#------------------------------------------------------------------------------
#$Date: 2021-04-05 16:52:22 +0300 (Mon, 05 Apr 2021) $
#$Revision: 263616 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/79/7127914.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7127914
loop_
_publ_author_name
'Zhang, Ying-Ying'
'Qiu, Feng-Yi'
'Shi, Hua-Tian'
'Yu, Weibin'
_publ_section_title
;
 Self-assembly and guest-induced disassembly of triply interlocked
 [2]catenanes.
;
_journal_issue                   24
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              3010
_journal_page_last               3013
_journal_paper_doi               10.1039/d0cc08052g
_journal_volume                  57
_journal_year                    2021
_chemical_formula_moiety
'C156 H138 N6 O12 Rh6, 6(C F3 O3 S), 10(C H4 O), 11(H2 O)'
_chemical_formula_sum            'C172 H200 F18 N6 O51 Rh6 S6'
_chemical_formula_weight         4319.19
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2021-02-01 deposited with the CCDC.	2021-02-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.939(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   35.2854(19)
_cell_length_b                   32.1734(18)
_cell_length_c                   37.719(2)
_cell_measurement_reflns_used    9548
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      41.60
_cell_measurement_theta_min      3.17
_cell_volume                     41894(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34138
_diffrn_reflns_av_R_equivalents  0.1141
_diffrn_reflns_av_unetI/netI     0.1056
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            275446
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        41.826
_diffrn_reflns_theta_max         41.826
_diffrn_reflns_theta_min         2.904
_exptl_absorpt_coefficient_mu    3.392
_exptl_absorpt_correction_T_max  0.859
_exptl_absorpt_correction_T_min  0.727
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            bronze
_exptl_crystal_density_diffrn    1.370
_exptl_crystal_description       block
_exptl_crystal_F_000             17680
_exptl_crystal_size_max          0.124
_exptl_crystal_size_mid          0.058
_exptl_crystal_size_min          0.057
_refine_diff_density_max         4.114
_refine_diff_density_min         -2.625
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.122
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2887
_refine_ls_number_reflns         42711
_refine_ls_number_restraints     4055
_refine_ls_restrained_S_all      1.248
_refine_ls_R_factor_all          0.2288
_refine_ls_R_factor_gt           0.1843
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0100P)²+540.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3926
_refine_ls_wR_factor_ref         0.4126
_reflns_Friedel_coverage         0.000
_reflns_number_gt                23637
_reflns_number_total             42711
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc08052g2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7127913--7127914.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7127914
_shelx_shelxl_version_number     2016/6
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.678
_shelx_estimated_absorpt_t_max   0.830
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.76670(7) 0.68489(9) 0.64750(8) 0.1980(11) Uani 1 1 d D U . . .
Rh2 Rh 0.56433(6) 0.81337(7) 0.66353(7) 0.1741(9) Uani 1 1 d . U . . .
Rh3 Rh 0.48349(6) 0.50690(6) 0.28883(5) 0.1355(6) Uani 1 1 d . U . . .
Rh4 Rh 0.48771(7) 0.17558(7) 0.66007(7) 0.1766(9) Uani 1 1 d . U . . .
Rh5 Rh 0.29352(6) 0.32112(6) 0.67275(6) 0.1431(7) Uani 1 1 d . U . . .
Rh6 Rh 0.26160(7) 0.59927(8) 0.27567(6) 0.1768(10) Uani 1 1 d D U . . .
Rh7 Rh 0.17395(8) 0.44470(7) -0.15491(8) 0.1908(10) Uani 1 1 d . U . . .
Rh8 Rh 0.18223(9) 0.44275(10) 0.06978(8) 0.2152(12) Uani 1 1 d D U . . .
Rh9 Rh 0.59516(10) 0.83422(8) 0.13124(10) 0.2267(13) Uani 1 1 d D U . . .
Rh10 Rh 0.63910(8) 0.31145(10) 0.23881(6) 0.2120(13) Uani 1 1 d D U . . .
Rh11 Rh 0.65911(19) 0.3253(2) 0.02266(13) 0.535(5) Uani 1 1 d D U . . .
O11 O 0.7234(5) 0.7182(6) 0.6125(5) 0.206(6) Uani 1 1 d D U . . .
Rh12 Rh 0.56996(16) 0.83560(13) -0.09764(12) 0.306(2) Uani 1 1 d D U . . .
O1 O 0.3164(5) 0.6228(5) 0.2689(4) 0.165(4) Uani 1 1 d . U . . .
O2 O 0.2861(5) 0.5383(5) 0.2725(4) 0.163(5) Uani 1 1 d . U . . .
O3 O 0.4342(6) 0.1913(6) 0.6272(5) 0.179(5) Uani 1 1 d . U . . .
O4 O 0.4704(5) 0.2143(5) 0.6968(4) 0.163(4) Uani 1 1 d . U . . .
O5 O 0.3107(5) 0.2852(5) 0.6338(4) 0.158(5) Uani 1 1 d . U . . .
O6 O 0.3504(4) 0.3157(5) 0.7016(4) 0.140(4) Uani 1 1 d . U . . .
O7 O 0.4575(5) 0.5623(5) 0.2958(4) 0.164(4) Uani 1 1 d . U . . .
O8 O 0.4262(3) 0.4732(4) 0.2889(3) 0.115(3) Uani 1 1 d . U . . .
O9 O 0.5918(5) 0.7975(7) 0.6233(5) 0.200(5) Uani 1 1 d . U . . .
O10 O 0.6002(5) 0.7709(6) 0.6961(5) 0.176(5) Uani 1 1 d . U . . .
O12 O 0.7377(5) 0.7000(6) 0.6885(5) 0.173(5) Uani 1 1 d . U . . .
O13 O 0.1891(6) 0.4051(5) -0.1109(6) 0.203(5) Uani 1 1 d . U . . .
O14 O 0.1629(7) 0.4875(6) -0.1154(6) 0.209(6) Uani 1 1 d . U . . .
O15 O 0.1949(6) 0.4060(6) 0.0344(6) 0.211(5) Uani 1 1 d . U . . .
C14 C 0.5300(6) 0.3088(5) 0.6181(5) 0.174(8) Uani 1 1 d DG U . . .
C15 C 0.5059(6) 0.2830(6) 0.5937(4) 0.187(9) Uani 1 1 d G U . . .
H15 H 0.497138 0.291666 0.569312 0.224 Uiso 1 1 calc R U . . .
C16 C 0.4948(5) 0.2446(5) 0.6050(4) 0.185(8) Uani 1 1 d G U . . .
H16 H 0.478382 0.226994 0.588286 0.223 Uiso 1 1 calc R U . . .
N2 N 0.5077(5) 0.2320(4) 0.6407(5) 0.163(5) Uani 1 1 d G U . . .
C17 C 0.5317(5) 0.2577(6) 0.6651(4) 0.202(10) Uani 1 1 d G U . . .
H17 H 0.540539 0.249084 0.689504 0.242 Uiso 1 1 calc R U . . .
C18 C 0.5429(6) 0.2961(6) 0.6538(5) 0.217(10) Uani 1 1 d G U . . .
H18 H 0.559296 0.313756 0.670530 0.260 Uiso 1 1 calc R U . . .
O17 O 0.6250(6) 0.8180(7) 0.0929(7) 0.231(6) Uani 1 1 d . U . . .
O18 O 0.5536(7) 0.8574(6) 0.0847(8) 0.240(6) Uani 1 1 d . U . . .
O19 O 0.6191(4) 0.2792(5) 0.1883(3) 0.180(5) Uani 1 1 d D U . . .
C19 C 0.3854(6) 0.5341(8) 0.0924(6) 0.154(7) Uani 1 1 d D U . . .
O20 O 0.6781(5) 0.3415(6) 0.2114(5) 0.226(5) Uani 1 1 d D U . . .
O23 O 0.6113(10) 0.8250(8) -0.0597(6) 0.287(7) Uani 1 1 d D U . . .
O24 O 0.5457(9) 0.8607(7) -0.0676(8) 0.278(6) Uani 1 1 d . U . . .
N4 N 0.2890(7) 0.5950(8) 0.3303(6) 0.162(6) Uani 1 1 d . U . . .
N5 N 0.4925(6) 0.4988(7) 0.3441(5) 0.138(5) Uani 1 1 d . U . . .
C1 C 0.7176(4) 0.6102(5) 0.6610(3) 0.157(7) Uani 1 1 d G U . . .
H1 H 0.731669 0.614504 0.685115 0.189 Uiso 1 1 calc R U . . .
C2 C 0.6891(5) 0.5798(5) 0.6539(4) 0.152(7) Uani 1 1 d G U . . .
H2 H 0.683655 0.563262 0.673155 0.182 Uiso 1 1 calc R U . . .
C3 C 0.6686(4) 0.5735(5) 0.6187(5) 0.139(6) Uani 1 1 d G U . . .
C4 C 0.6765(5) 0.5977(6) 0.5906(3) 0.165(7) Uani 1 1 d G U . . .
H4 H 0.662504 0.593414 0.566545 0.198 Uiso 1 1 calc R U . . .
C5 C 0.7051(5) 0.6281(5) 0.5977(4) 0.181(8) Uani 1 1 d G U . . .
H5 H 0.710518 0.644657 0.578503 0.217 Uiso 1 1 calc R U . . .
N1 N 0.7256(4) 0.6344(5) 0.6329(5) 0.175(6) Uani 1 1 d G U . . .
C6 C 0.6431(9) 0.5418(8) 0.6095(6) 0.148(7) Uani 1 1 d . U . . .
C7 C 0.6176(9) 0.5179(9) 0.5974(7) 0.149(7) Uani 1 1 d . U . . .
C68 C 0.7037(4) 0.7185(5) 0.6858(4) 0.162(6) Uani 1 1 d G U . . .
C69 C 0.6914(4) 0.7189(4) 0.7185(3) 0.141(5) Uani 1 1 d DG U . . .
C70 C 0.6565(4) 0.7377(5) 0.7208(3) 0.148(6) Uani 1 1 d DG U . . .
C71 C 0.6338(4) 0.7560(5) 0.6903(4) 0.162(6) Uani 1 1 d G U . . .
C72 C 0.6460(4) 0.7556(5) 0.6575(3) 0.175(6) Uani 1 1 d DG U . . .
C73 C 0.6810(4) 0.7368(5) 0.6553(3) 0.175(6) Uani 1 1 d DG U . . .
C8 C 0.5915(8) 0.4859(9) 0.5822(7) 0.143(6) Uani 1 1 d . U . . .
C9 C 0.5813(7) 0.4476(8) 0.5976(6) 0.137(6) Uani 1 1 d . U . . .
H9 H 0.593055 0.441800 0.622113 0.164 Uiso 1 1 calc R U . . .
C10 C 0.5574(7) 0.4204(6) 0.5803(6) 0.136(6) Uani 1 1 d D U . . .
C11 C 0.5427(7) 0.4253(8) 0.5431(6) 0.144(7) Uani 1 1 d . U . . .
H11 H 0.527425 0.404111 0.529581 0.173 Uiso 1 1 calc R U . . .
C12 C 0.5505(8) 0.4606(9) 0.5268(7) 0.149(7) Uani 1 1 d . U . . .
C13 C 0.5761(7) 0.4910(8) 0.5469(6) 0.142(6) Uani 1 1 d . U . . .
H13 H 0.582248 0.515233 0.534834 0.171 Uiso 1 1 calc R U . . .
O16 O 0.1658(5) 0.4823(7) 0.0351(7) 0.203(5) Uani 1 1 d . U . . .
O21 O 0.6885(5) 0.3641(7) 0.0674(5) 0.432(6) Uani 1 1 d D U . . .
C20 C 0.3340(4) 0.4031(5) 0.6679(3) 0.138(6) Uani 1 1 d G U . . .
H20 H 0.336423 0.402360 0.693408 0.166 Uiso 1 1 calc R U . . .
C21 C 0.3490(5) 0.4365(4) 0.6518(4) 0.158(7) Uani 1 1 d G U . . .
H21 H 0.361540 0.458593 0.666339 0.190 Uiso 1 1 calc R U . . .
C22 C 0.3455(5) 0.4376(4) 0.6144(4) 0.169(8) Uani 1 1 d G U . . .
C23 C 0.3271(5) 0.4053(6) 0.5931(3) 0.163(8) Uani 1 1 d G U . . .
H23 H 0.324720 0.406008 0.567570 0.195 Uiso 1 1 calc R U . . .
C24 C 0.3122(4) 0.3719(4) 0.6092(3) 0.159(7) Uani 1 1 d G U . . .
H24 H 0.299603 0.349775 0.594638 0.191 Uiso 1 1 calc R U . . .
N3 N 0.3157(4) 0.3708(4) 0.6466(4) 0.132(4) Uani 1 1 d G U . . .
O22 O 0.6210(6) 0.2892(7) 0.0485(4) 0.368(7) Uani 1 1 d D U . . .
C26 C 0.3677(7) 0.5049(8) 0.5825(6) 0.159(8) Uani 1 1 d D U . . .
C25 C 0.3570(8) 0.4714(8) 0.5983(7) 0.170(8) Uani 1 1 d D U . . .
C27 C 0.3761(8) 0.5444(9) 0.5647(7) 0.162(7) Uani 1 1 d . U . . .
C28 C 0.4014(7) 0.5685(8) 0.5852(6) 0.145(7) Uani 1 1 d . U . . .
H28 H 0.412278 0.562354 0.609822 0.174 Uiso 1 1 calc R U . . .
C29 C 0.4114(7) 0.6046(8) 0.5677(7) 0.144(6) Uani 1 1 d D U . . .
C30 C 0.3995(8) 0.6084(8) 0.5313(7) 0.152(7) Uani 1 1 d . U . . .
H30 H 0.409000 0.630605 0.518961 0.182 Uiso 1 1 calc R U . . .
C31 C 0.3636(7) 0.5469(9) 0.5292(7) 0.160(8) Uani 1 1 d . U . . .
H31 H 0.347932 0.525744 0.516070 0.192 Uiso 1 1 calc R U . . .
C32 C 0.3740(7) 0.5808(9) 0.5124(7) 0.147(7) Uani 1 1 d . U . . .
C33 C 0.3604(8) 0.5877(8) 0.4733(7) 0.155(7) Uani 1 1 d . U . . .
C34 C 0.3444(8) 0.5895(8) 0.4415(8) 0.155(8) Uani 1 1 d . U . . .
C35 C 0.2858(7) 0.5628(9) 0.3507(7) 0.162(7) Uani 1 1 d . U . . .
H35 H 0.271922 0.539723 0.338755 0.194 Uiso 1 1 calc R U . . .
C36 C 0.3008(7) 0.5581(9) 0.3886(7) 0.160(7) Uani 1 1 d . U . . .
H36 H 0.295169 0.534672 0.401976 0.192 Uiso 1 1 calc R U . . .
C37 C 0.3246(8) 0.5913(9) 0.4047(7) 0.156(7) Uani 1 1 d . U . . .
C38 C 0.3274(8) 0.6242(8) 0.3843(7) 0.156(7) Uani 1 1 d . U . . .
H38 H 0.343191 0.646993 0.394319 0.187 Uiso 1 1 calc R U . . .
C39 C 0.3074(8) 0.6258(8) 0.3483(7) 0.159(7) Uani 1 1 d . U . . .
H39 H 0.307234 0.651548 0.335939 0.191 Uiso 1 1 calc R U . . .
C41 C 0.4586(8) 0.6594(8) 0.6035(7) 0.159(7) Uani 1 1 d . U . . .
C40 C 0.4376(7) 0.6334(8) 0.5854(6) 0.150(7) Uani 1 1 d D U . . .
C42 C 0.4830(4) 0.6932(4) 0.6193(5) 0.150(7) Uani 1 1 d G U . . .
C43 C 0.4980(5) 0.6975(4) 0.6563(4) 0.149(7) Uani 1 1 d G U . . .
H43 H 0.492548 0.677059 0.672716 0.179 Uiso 1 1 calc R U . . .
C44 C 0.5208(4) 0.7317(5) 0.6691(3) 0.153(7) Uani 1 1 d G U . . .
H44 H 0.531015 0.734599 0.694310 0.183 Uiso 1 1 calc R U . . .
N6 N 0.5287(4) 0.7615(4) 0.6450(5) 0.143(5) Uani 1 1 d G U . . .
C45 C 0.5138(5) 0.7572(5) 0.6081(4) 0.161(7) Uani 1 1 d G U . . .
H45 H 0.519202 0.777629 0.591614 0.194 Uiso 1 1 calc R U . . .
C46 C 0.4909(5) 0.7230(6) 0.5952(3) 0.161(7) Uani 1 1 d G U . . .
H46 H 0.480735 0.720089 0.570019 0.193 Uiso 1 1 calc R U . . .
C47 C 0.5346(8) 0.4715(8) 0.4879(7) 0.157(7) Uani 1 1 d . U . . .
C48 C 0.5253(8) 0.4772(8) 0.4574(7) 0.149(7) Uani 1 1 d . U . . .
C49 C 0.5100(8) 0.4842(9) 0.4184(7) 0.149(7) Uani 1 1 d . U . . .
C50 C 0.5231(8) 0.5200(9) 0.4055(6) 0.157(7) Uani 1 1 d . U . . .
H50 H 0.538332 0.539987 0.420698 0.188 Uiso 1 1 calc R U . . .
C51 C 0.5119(7) 0.5247(9) 0.3673(6) 0.153(7) Uani 1 1 d . U . . .
H51 H 0.519567 0.549891 0.357619 0.184 Uiso 1 1 calc R U . . .
C52 C 0.4833(7) 0.4652(9) 0.3601(6) 0.142(6) Uani 1 1 d . U . . .
H52 H 0.471253 0.443605 0.344585 0.171 Uiso 1 1 calc R U . . .
C53 C 0.4889(7) 0.4578(8) 0.3959(6) 0.144(7) Uani 1 1 d . U . . .
H53 H 0.477897 0.434032 0.404750 0.173 Uiso 1 1 calc R U . . .
C54 C 0.3769(6) 0.6283(4) 0.2755(4) 0.164(6) Uani 1 1 d G U . . .
H54 H 0.371625 0.657101 0.271721 0.197 Uiso 1 1 calc R U . . .
C55 C 0.4149(5) 0.6141(5) 0.2820(4) 0.170(7) Uani 1 1 d G U . . .
H55 H 0.435611 0.633167 0.282606 0.204 Uiso 1 1 calc R U . . .
C56 C 0.4227(4) 0.5720(6) 0.2876(4) 0.143(5) Uani 1 1 d G U . . .
C57 C 0.3924(6) 0.5441(4) 0.2867(4) 0.132(5) Uani 1 1 d DG U . . .
C58 C 0.3544(5) 0.5583(5) 0.2803(4) 0.135(5) Uani 1 1 d G U . . .
C59 C 0.3467(4) 0.6004(6) 0.2747(4) 0.155(6) Uani 1 1 d G U . . .
C60 C 0.3977(5) 0.5006(4) 0.2845(6) 0.134(5) Uani 1 1 d D U . . .
C61 C 0.3663(5) 0.4718(6) 0.2775(5) 0.151(6) Uani 1 1 d DG U . . .
C62 C 0.3280(6) 0.4853(5) 0.2713(5) 0.148(6) Uani 1 1 d G U . . .
C63 C 0.2982(4) 0.4581(7) 0.2570(5) 0.208(9) Uani 1 1 d G U . . .
H63 H 0.272077 0.467282 0.252699 0.250 Uiso 1 1 calc R U . . .
C64 C 0.3066(7) 0.4174(7) 0.2488(6) 0.248(12) Uani 1 1 d G U . . .
H64 H 0.286225 0.398806 0.239022 0.298 Uiso 1 1 calc R U . . .
C65 C 0.3449(8) 0.4039(5) 0.2551(6) 0.266(12) Uani 1 1 d G U . . .
H65 H 0.350597 0.376146 0.249499 0.319 Uiso 1 1 calc R U . . .
C66 C 0.3747(5) 0.4312(7) 0.2694(6) 0.228(10) Uani 1 1 d G U . . .
H66 H 0.400822 0.421961 0.273654 0.273 Uiso 1 1 calc R U . . .
C67 C 0.3205(8) 0.5272(8) 0.2738(6) 0.149(6) Uani 1 1 d . U . . .
C74 C 0.6913(6) 0.7358(9) 0.6219(5) 0.204(7) Uani 1 1 d D U . . .
C75 C 0.6686(8) 0.7515(11) 0.5900(5) 0.233(9) Uani 1 1 d D U . . .
H75 H 0.675598 0.747525 0.567215 0.279 Uiso 1 1 calc R U . . .
C76 C 0.6354(8) 0.7731(10) 0.5930(5) 0.233(9) Uani 1 1 d D U . . .
H76 H 0.619726 0.785968 0.572394 0.280 Uiso 1 1 calc R U . . .
C77 C 0.6254(6) 0.7757(9) 0.6268(5) 0.199(7) Uani 1 1 d D U . . .
C143 C 0.2697(7) 0.4445(4) 0.0719(5) 0.202(8) Uani 1 1 d G U . . .
H143 H 0.265984 0.415244 0.070586 0.242 Uiso 1 1 calc R U . . .
C144 C 0.3068(5) 0.4609(6) 0.0760(5) 0.192(8) Uani 1 1 d G U . . .
H144 H 0.328403 0.442938 0.077470 0.230 Uiso 1 1 calc R U . . .
C145 C 0.3123(4) 0.5037(7) 0.0779(5) 0.182(8) Uani 1 1 d DG U . . .
C146 C 0.2806(6) 0.5301(5) 0.0758(5) 0.173(7) Uani 1 1 d G U . . .
H146 H 0.284369 0.559319 0.077135 0.208 Uiso 1 1 calc R U . . .
C147 C 0.2436(5) 0.5136(6) 0.0717(5) 0.181(7) Uani 1 1 d G U . . .
H147 H 0.221949 0.531627 0.070251 0.217 Uiso 1 1 calc R U . . .
N11 N 0.2381(4) 0.4708(7) 0.0698(5) 0.195(6) Uani 1 1 d G U . . .
C142 C 0.7148(5) 0.7036(7) 0.7501(4) 0.167(7) Uani 1 1 d D U . . .
H142 H 0.740072 0.694101 0.749141 0.201 Uiso 1 1 calc R U . . .
C78 C 0.3497(8) 0.2371(9) 0.6067(8) 0.166(7) Uani 1 1 d . U . . .
H78 H 0.329319 0.236285 0.585861 0.199 Uiso 1 1 calc R U . . .
C80 C 0.4096(9) 0.2147(10) 0.6334(8) 0.167(7) Uani 1 1 d . U . . .
C81 C 0.4403(4) 0.2395(5) 0.6938(5) 0.146(5) Uani 1 1 d G U . . .
C82 C 0.4085(6) 0.2403(5) 0.6650(4) 0.145(5) Uani 1 1 d G U . . .
C83 C 0.3772(4) 0.2660(5) 0.6664(4) 0.135(5) Uani 1 1 d G U . . .
C84 C 0.3777(4) 0.2910(5) 0.6966(5) 0.140(6) Uani 1 1 d G U . . .
C85 C 0.4094(5) 0.2902(5) 0.7254(4) 0.136(5) Uani 1 1 d G U . . .
C86 C 0.4407(4) 0.2645(6) 0.7240(4) 0.143(5) Uani 1 1 d G U . . .
C79 C 0.3781(9) 0.2136(10) 0.6033(9) 0.181(8) Uani 1 1 d . U . . .
H79 H 0.377966 0.197054 0.582451 0.217 Uiso 1 1 calc R U . . .
C87 C 0.4719(8) 0.2670(10) 0.7549(7) 0.175(8) Uani 1 1 d . U . . .
H87 H 0.492436 0.247569 0.756131 0.210 Uiso 1 1 calc R U . . .
C88 C 0.4752(9) 0.2950(10) 0.7834(8) 0.177(8) Uani 1 1 d . U . . .
H88 H 0.497961 0.295957 0.801867 0.212 Uiso 1 1 calc R U . . .
C89 C 0.4442(8) 0.3219(10) 0.7842(7) 0.171(8) Uani 1 1 d . U . . .
H89 H 0.444815 0.341398 0.803263 0.206 Uiso 1 1 calc R U . . .
C90 C 0.4132(7) 0.3185(8) 0.7564(7) 0.154(7) Uani 1 1 d . U . . .
H90 H 0.391854 0.336210 0.756966 0.185 Uiso 1 1 calc R U . . .
C91 C 0.3406(8) 0.2659(8) 0.6359(7) 0.140(5) Uani 1 1 d . U . . .
C101 C 0.3469(10) 0.5137(9) -0.1088(9) 0.168(8) Uani 1 1 d . U . . .
C100 C 0.5572(8) 0.1525(11) 0.7233(7) 0.302(16) Uani 1 1 d D U . . .
H10A H 0.578209 0.167211 0.715226 0.453 Uiso 1 1 calc R U . . .
H10B H 0.543873 0.171593 0.736840 0.453 Uiso 1 1 calc R U . . .
H500 H 0.567893 0.129161 0.738874 0.453 Uiso 1 1 calc R U . . .
C99 C 0.4791(9) 0.1101(10) 0.7230(7) 0.311(16) Uani 1 1 d D U . . .
H99A H 0.455649 0.093007 0.716344 0.467 Uiso 1 1 calc R U . . .
H99B H 0.497344 0.096476 0.742719 0.467 Uiso 1 1 calc R U . . .
H99C H 0.472158 0.137475 0.731077 0.467 Uiso 1 1 calc R U . . .
C98 C 0.4410(8) 0.0904(12) 0.6454(8) 0.327(19) Uani 1 1 d D U . . .
H98A H 0.431509 0.080942 0.666726 0.491 Uiso 1 1 calc R U . . .
H98B H 0.425405 0.114131 0.634441 0.491 Uiso 1 1 calc R U . . .
H98C H 0.438840 0.067779 0.627783 0.491 Uiso 1 1 calc R U . . .
C97 C 0.5061(5) 0.1185(4) 0.6351(4) 0.215(7) Uani 1 1 d DG U . . .
C96 C 0.5361(5) 0.1395(5) 0.6574(5) 0.210(7) Uani 1 1 d DG U . . .
C95 C 0.5304(5) 0.1372(4) 0.6925(5) 0.215(7) Uani 1 1 d DG U . . .
C94 C 0.4968(5) 0.1148(5) 0.6920(5) 0.224(8) Uani 1 1 d DG U . . .
C93 C 0.4818(5) 0.1032(4) 0.6565(5) 0.232(8) Uani 1 1 d DG U . . .
C108 C 0.1343(6) 0.4680(6) -0.2086(4) 0.262(9) Uani 1 1 d DG U . . .
C107 C 0.1124(6) 0.4416(6) -0.1941(4) 0.285(10) Uani 1 1 d DG U . . .
C106 C 0.1329(6) 0.4068(6) -0.1849(4) 0.284(9) Uani 1 1 d DG U . . .
C105 C 0.1674(6) 0.4117(6) -0.1938(4) 0.261(7) Uani 1 1 d DG U . . .
C104 C 0.1683(6) 0.4495(6) -0.2084(4) 0.255(8) Uani 1 1 d DG U . . .
C92 C 0.5484(7) 0.3838(5) 0.5959(6) 0.143(6) Uani 1 1 d D U . . .
C103 C 0.4993(8) 0.1122(11) 0.5967(6) 0.279(15) Uani 1 1 d D U . . .
H504 H 0.520010 0.125617 0.587032 0.419 Uiso 1 1 calc R U . . .
H10D H 0.499045 0.082382 0.591457 0.419 Uiso 1 1 calc R U . . .
H10E H 0.474322 0.124428 0.585298 0.419 Uiso 1 1 calc R U . . .
C102 C 0.5702(7) 0.1507(10) 0.6443(8) 0.286(15) Uani 1 1 d D U . . .
H10F H 0.588307 0.165278 0.663458 0.429 Uiso 1 1 calc R U . . .
H10G H 0.582492 0.125559 0.637352 0.429 Uiso 1 1 calc R U . . .
H10H H 0.562899 0.168970 0.623193 0.429 Uiso 1 1 calc R U . . .
C109 C 0.5315(6) 0.5276(6) 0.2683(5) 0.156(5) Uani 1 1 d G U . . .
C110 C 0.4979(6) 0.5255(6) 0.2402(5) 0.161(5) Uani 1 1 d G U . . .
C111 C 0.4851(5) 0.4835(7) 0.2371(4) 0.143(5) Uani 1 1 d G U . . .
C112 C 0.5108(6) 0.4597(5) 0.2634(5) 0.136(5) Uani 1 1 d G U . . .
C113 C 0.5395(5) 0.4870(7) 0.2827(4) 0.147(5) Uani 1 1 d G U . . .
C243 C 0.5745(10) 0.3578(7) 0.0022(6) 0.361(12) Uani 1 1 d G U . . .
H243 H 0.566696 0.329680 0.003097 0.433 Uiso 1 1 calc R U . . .
C244 C 0.5473(6) 0.3883(10) -0.0107(5) 0.305(11) Uani 1 1 d G U . . .
H244 H 0.520812 0.381035 -0.018677 0.365 Uiso 1 1 calc R U . . .
C245 C 0.5588(8) 0.4296(8) -0.0120(4) 0.279(11) Uani 1 1 d G U . . .
C246 C 0.5975(9) 0.4403(7) -0.0003(6) 0.312(11) Uani 1 1 d G U . . .
H246 H 0.605368 0.468418 -0.001152 0.375 Uiso 1 1 calc R U . . .
C247 C 0.6248(6) 0.4098(11) 0.0126(5) 0.359(11) Uani 1 1 d G U . . .
H247 H 0.651252 0.417064 0.020622 0.431 Uiso 1 1 calc R U . . .
N12 N 0.6133(8) 0.3685(9) 0.0139(5) 0.392(10) Uani 1 1 d G U . . .
C219 C 0.5508(3) 0.8400(3) -0.1525(2) 0.366(11) Uani 1 1 d DG U . . .
C218 C 0.5908(3) 0.8434(3) -0.1422(2) 0.361(9) Uani 1 1 d DG U . . .
C217 C 0.5991(3) 0.8778(3) -0.1199(3) 0.379(10) Uani 1 1 d DG U . . .
C216 C 0.5644(3) 0.8957(3) -0.1163(3) 0.380(10) Uani 1 1 d DG U . . .
C215 C 0.5345(3) 0.8723(3) -0.1365(2) 0.369(10) Uani 1 1 d DG U . . .
C224 C 0.2617(2) 0.3458(4) 0.7132(2) 0.244(8) Uani 1 1 d DG U . . .
C223 C 0.2404(2) 0.3551(4) 0.67894(19) 0.245(9) Uani 1 1 d DG U . . .
C222 C 0.2321(2) 0.3181(4) 0.66008(19) 0.229(8) Uani 1 1 d DG U . . .
C221 C 0.2483(2) 0.2859(4) 0.6827(2) 0.227(8) Uani 1 1 d DG U . . .
C220 C 0.2665(2) 0.3030(4) 0.7155(2) 0.240(8) Uani 1 1 d DG U . . .
C233 C 0.81486(15) 0.6502(3) 0.6496(2) 0.370(12) Uani 1 1 d DG U . . .
C232 C 0.81004(15) 0.6770(3) 0.6200(2) 0.378(12) Uani 1 1 d DG U . . .
C231 C 0.81039(15) 0.7175(3) 0.6329(2) 0.374(12) Uani 1 1 d DG U . . .
C230 C 0.81544(16) 0.7158(3) 0.6704(2) 0.361(12) Uani 1 1 d DG U . . .
C229 C 0.81821(15) 0.6742(3) 0.6807(2) 0.353(11) Uani 1 1 d DG U . . .
C238 C 0.1379(2) 0.4241(3) 0.09344(15) 0.323(11) Uani 1 1 d DG U . . .
C237 C 0.1540(2) 0.4612(3) 0.10818(15) 0.312(10) Uani 1 1 d DG U . . .
C236 C 0.1928(2) 0.4542(3) 0.12296(14) 0.297(9) Uani 1 1 d DG U . . .
C235 C 0.2007(2) 0.4127(3) 0.11735(15) 0.312(9) Uani 1 1 d DG U . . .
C234 C 0.1667(2) 0.3942(3) 0.09912(15) 0.332(11) Uani 1 1 d DG U . . .
C129 C 0.2613(7) 0.4358(4) -0.1345(6) 0.215(9) Uani 1 1 d G U . . .
H129 H 0.255413 0.406996 -0.137594 0.258 Uiso 1 1 calc R U . . .
C130 C 0.2995(6) 0.4486(6) -0.1234(6) 0.215(9) Uani 1 1 d G U . . .
H130 H 0.319760 0.428631 -0.118838 0.258 Uiso 1 1 calc R U . . .
C131 C 0.3081(5) 0.4907(7) -0.1188(6) 0.209(9) Uani 1 1 d G U . . .
C132 C 0.2785(7) 0.5199(4) -0.1255(7) 0.233(10) Uani 1 1 d G U . . .
H132 H 0.284320 0.548664 -0.122384 0.280 Uiso 1 1 calc DR U . . .
C133 C 0.2402(6) 0.5071(6) -0.1366(6) 0.244(11) Uani 1 1 d G U . . .
H133 H 0.219973 0.527031 -0.141140 0.292 Uiso 1 1 calc R U . . .
N7 N 0.2316(5) 0.4650(7) -0.1411(5) 0.198(6) Uani 1 1 d G U . . .
C117 C 0.5097(7) 0.4153(8) 0.2687(7) 0.174(9) Uani 1 1 d . U . . .
H11A H 0.530816 0.407090 0.288673 0.260 Uiso 1 1 calc R U . . .
H11B H 0.484819 0.407494 0.274501 0.260 Uiso 1 1 calc R U . . .
H11C H 0.512705 0.401045 0.246453 0.260 Uiso 1 1 calc R U . . .
C116 C 0.4504(7) 0.4668(9) 0.2113(6) 0.187(10) Uani 1 1 d . U . . .
H11D H 0.448395 0.436834 0.215083 0.280 Uiso 1 1 calc R U . . .
H11E H 0.427023 0.480639 0.215577 0.280 Uiso 1 1 calc R U . . .
H11F H 0.453183 0.472068 0.186384 0.280 Uiso 1 1 calc R U . . .
C115 C 0.4792(9) 0.5626(9) 0.2155(7) 0.200(11) Uani 1 1 d . U . . .
H11G H 0.493511 0.588217 0.223253 0.300 Uiso 1 1 calc R U . . .
H11H H 0.480250 0.556700 0.190189 0.300 Uiso 1 1 calc R U . . .
H11I H 0.452114 0.565991 0.217519 0.300 Uiso 1 1 calc R U . . .
C114 C 0.5543(9) 0.5711(9) 0.2816(9) 0.223(12) Uani 1 1 d . U . . .
H11J H 0.541967 0.593991 0.266331 0.335 Uiso 1 1 calc R U . . .
H11K H 0.553110 0.576531 0.306885 0.335 Uiso 1 1 calc R U . . .
H11L H 0.581411 0.568658 0.279435 0.335 Uiso 1 1 calc R U . . .
C128 C 0.4906(9) 0.8276(8) 0.7061(8) 0.203(9) Uani 1 1 d . U . . .
H12A H 0.500276 0.819347 0.731408 0.305 Uiso 1 1 calc R U . . .
H12B H 0.470688 0.849037 0.705057 0.305 Uiso 1 1 calc R U . . .
H12C H 0.479530 0.803392 0.691977 0.305 Uiso 1 1 calc R U . . .
C127 C 0.5786(12) 0.8486(11) 0.7465(6) 0.307(17) Uani 1 1 d D U . . .
H12D H 0.558689 0.833451 0.755985 0.460 Uiso 1 1 calc R U . . .
H12E H 0.602585 0.832355 0.750872 0.460 Uiso 1 1 calc R U . . .
H12F H 0.583359 0.875501 0.758814 0.460 Uiso 1 1 calc R U . . .
C126 C 0.6198(12) 0.8862(14) 0.6941(13) 0.37(2) Uani 1 1 d . U . . .
H12G H 0.627822 0.877808 0.719527 0.550 Uiso 1 1 calc R U . . .
H12H H 0.636368 0.872407 0.679735 0.550 Uiso 1 1 calc R U . . .
H12I H 0.622356 0.916380 0.692151 0.550 Uiso 1 1 calc R U . . .
C125 C 0.5610(13) 0.8932(13) 0.6099(12) 0.35(2) Uani 1 1 d . U . . .
H12J H 0.535965 0.891520 0.592825 0.525 Uiso 1 1 calc R U . . .
H12K H 0.570204 0.922038 0.611306 0.525 Uiso 1 1 calc R U . . .
H12L H 0.579809 0.875365 0.601420 0.525 Uiso 1 1 calc R U . . .
C124 C 0.4828(9) 0.8591(9) 0.6259(9) 0.234(14) Uani 1 1 d . U . . .
H12M H 0.486362 0.870856 0.602797 0.351 Uiso 1 1 calc R U . . .
H12N H 0.474055 0.830220 0.622136 0.351 Uiso 1 1 calc R U . . .
H12O H 0.463310 0.875348 0.634946 0.351 Uiso 1 1 calc R U . . .
C123 C 0.5823(7) 0.8750(7) 0.6814(9) 0.260(8) Uani 1 1 d G U . . .
C122 C 0.5647(8) 0.8556(7) 0.7058(6) 0.228(7) Uani 1 1 d DG U . . .
C121 C 0.5275(8) 0.8467(6) 0.6890(7) 0.193(6) Uani 1 1 d G U . . .
C120 C 0.5221(7) 0.8605(7) 0.6541(7) 0.203(6) Uani 1 1 d G U . . .
C119 C 0.5560(9) 0.8780(7) 0.6494(7) 0.247(8) Uani 1 1 d G U . . .
C118 C 0.5380(8) 0.3461(6) 0.6041(6) 0.156(7) Uani 1 1 d D U . . .
C134 C 0.3772(10) 0.5251(10) -0.0988(8) 0.169(8) Uani 1 1 d . U . . .
C135 C 0.4433(6) 0.5054(5) -0.0697(4) 0.156(6) Uani 1 1 d G U . . .
H135 H 0.434963 0.477620 -0.067495 0.187 Uiso 1 1 calc R U . . .
C136 C 0.4170(4) 0.5351(6) -0.0866(4) 0.167(7) Uani 1 1 d G U . . .
C137 C 0.4292(5) 0.5758(6) -0.0899(4) 0.162(7) Uani 1 1 d G U . . .
H137 H 0.411230 0.596116 -0.101380 0.195 Uiso 1 1 calc R U . . .
C139 C 0.4675(6) 0.5867(5) -0.0763(4) 0.168(7) Uani 1 1 d G U . . .
C138 C 0.4938(4) 0.5570(7) -0.0594(4) 0.161(7) Uani 1 1 d G U . . .
H138 H 0.519978 0.564494 -0.050136 0.193 Uiso 1 1 calc R U . . .
C140 C 0.4816(5) 0.5164(6) -0.0561(4) 0.164(7) Uani 1 1 d G U . . .
C141 C 0.5072(9) 0.4856(10) -0.0405(6) 0.174(8) Uani 1 1 d . U . . .
C148 C 0.5320(10) 0.4651(11) -0.0272(7) 0.215(10) Uani 1 1 d . U . . .
C154 C 0.5062(9) 0.6607(10) 0.1124(8) 0.167(8) Uani 1 1 d . U . . .
C155 C 0.1881(7) 0.4100(9) -0.0770(5) 0.218(8) Uani 1 1 d G U . . .
C156 C 0.1787(6) 0.4454(6) -0.0595(8) 0.202(7) Uani 1 1 d DG U . . .
C157 C 0.1801(6) 0.4446(6) -0.0224(8) 0.204(7) Uani 1 1 d DG U . . .
C158 C 0.1909(6) 0.4084(9) -0.0028(5) 0.200(7) Uani 1 1 d G U . . .
C159 C 0.2003(6) 0.3730(6) -0.0202(7) 0.207(8) Uani 1 1 d G U . . .
H159 H 0.207646 0.348284 -0.006821 0.248 Uiso 1 1 calc R U . . .
C160 C 0.1989(6) 0.3738(6) -0.0573(7) 0.213(8) Uani 1 1 d G U . . .
H160 H 0.205285 0.349601 -0.069268 0.255 Uiso 1 1 calc R U . . .
C153 C 0.5712(7) 0.4741(8) 0.3155(7) 0.176(9) Uani 1 1 d . U . . .
H15A H 0.569995 0.443988 0.319184 0.264 Uiso 1 1 calc R U . . .
H15B H 0.596743 0.481395 0.310841 0.264 Uiso 1 1 calc R U . . .
H15C H 0.567163 0.488612 0.337199 0.264 Uiso 1 1 calc R U . . .
C152 C 0.4995(10) 0.6625(11) -0.0847(10) 0.221(10) Uani 1 1 d D U . . .
C151 C 0.5034(9) 0.8908(11) 0.0454(8) 0.356(13) Uani 1 1 d D U . . .
H151 H 0.509126 0.893872 0.070962 0.428 Uiso 1 1 calc R U . . .
C150 C 0.4902(9) 0.8878(13) -0.0303(8) 0.387(14) Uani 1 1 d D U . . .
H150 H 0.484731 0.885211 -0.055957 0.465 Uiso 1 1 calc R U . . .
C149 C 0.4787(9) 0.6288(11) -0.0805(7) 0.184(8) Uani 1 1 d D U . . .
C161 C 0.1656(10) 0.4794(6) -0.0814(7) 0.198(7) Uani 1 1 d D U . . .
C162 C 0.1673(8) 0.4800(6) -0.0069(7) 0.201(7) Uani 1 1 d D U . . .
C165 C 0.5885(4) 0.7419(6) 0.1220(5) 0.191(8) Uani 1 1 d G U . . .
H165 H 0.615858 0.743018 0.125018 0.229 Uiso 1 1 calc R U . . .
N9 N 0.5673(6) 0.7784(5) 0.1211(5) 0.194(6) Uani 1 1 d G U . . .
C167 C 0.5272(6) 0.7768(5) 0.1168(5) 0.191(8) Uani 1 1 d G U . . .
H167 H 0.512690 0.801726 0.116118 0.230 Uiso 1 1 calc R U . . .
C168 C 0.5084(4) 0.7386(7) 0.1134(5) 0.179(7) Uani 1 1 d G U . . .
H168 H 0.480973 0.737451 0.110383 0.215 Uiso 1 1 calc R U . . .
C169 C 0.5296(6) 0.7021(5) 0.1143(5) 0.173(7) Uani 1 1 d G U . . .
C170 C 0.5696(6) 0.7037(5) 0.1186(5) 0.172(7) Uani 1 1 d G U . . .
H170 H 0.584140 0.678742 0.119283 0.207 Uiso 1 1 calc R U . . .
C166 C 0.4698(9) 0.9074(13) 0.0245(10) 0.430(17) Uani 1 1 d D U . . .
H166 H 0.450080 0.917894 0.035834 0.516 Uiso 1 1 calc R U . . .
C164 C 0.1549(11) 0.5150(8) -0.0283(8) 0.228(8) Uani 1 1 d D U . . .
C163 C 0.1541(10) 0.5150(8) -0.0654(8) 0.222(8) Uani 1 1 d D U . . .
C171 C 0.4948(9) 0.6275(11) 0.1130(7) 0.159(7) Uani 1 1 d . U . . .
C172 C 0.4778(9) 0.5883(9) 0.1137(6) 0.142(6) Uani 1 1 d . U . . .
C173 C 0.5018(7) 0.5562(7) 0.1292(6) 0.128(6) Uani 1 1 d . U . . .
H173 H 0.528462 0.561334 0.138651 0.154 Uiso 1 1 calc R U . . .
C174 C 0.4875(8) 0.5184(9) 0.1307(6) 0.129(5) Uani 1 1 d . U . . .
C175 C 0.4246(6) 0.5411(9) 0.1034(6) 0.142(6) Uani 1 1 d D U . . .
C176 C 0.4360(8) 0.5805(8) 0.1017(6) 0.139(6) Uani 1 1 d . U . . .
H176 H 0.418163 0.602152 0.093141 0.167 Uiso 1 1 calc R U . . .
C177 C 0.5114(7) 0.4829(8) 0.1469(6) 0.132(6) Uani 1 1 d . U . . .
C178 C 0.5310(7) 0.4563(8) 0.1625(6) 0.133(6) Uani 1 1 d . U . . .
C179 C 0.5536(5) 0.4223(5) 0.1809(4) 0.149(7) Uani 1 1 d G U . . .
C180 C 0.5396(3) 0.3819(6) 0.1807(4) 0.150(7) Uani 1 1 d G U . . .
H180 H 0.513593 0.375937 0.169115 0.180 Uiso 1 1 calc R U . . .
C181 C 0.5636(5) 0.3503(4) 0.1974(4) 0.161(7) Uani 1 1 d G U . . .
H181 H 0.554029 0.322651 0.197265 0.193 Uiso 1 1 calc R U . . .
N10 N 0.6016(5) 0.3590(6) 0.2144(4) 0.181(6) Uani 1 1 d G U . . .
C182 C 0.6156(4) 0.3994(7) 0.2146(5) 0.233(11) Uani 1 1 d G U . . .
H182 H 0.641577 0.405405 0.226162 0.279 Uiso 1 1 calc R U . . .
C183 C 0.5916(6) 0.4311(5) 0.1979(5) 0.210(10) Uani 1 1 d G U . . .
H183 H 0.601142 0.458692 0.198012 0.252 Uiso 1 1 calc R U . . .
C186 C 0.5510(7) 0.8531(6) -0.0263(5) 0.268(8) Uani 1 1 d G U . . .
C187 C 0.5232(6) 0.8707(5) -0.0096(6) 0.295(9) Uani 1 1 d DG U . . .
C188 C 0.5281(6) 0.8699(5) 0.0279(6) 0.277(9) Uani 1 1 d DG U . . .
C189 C 0.5608(7) 0.8513(6) 0.0488(5) 0.258(8) Uani 1 1 d G U . . .
C190 C 0.5886(6) 0.8336(5) 0.0322(6) 0.259(9) Uani 1 1 d DG U . . .
C191 C 0.5837(6) 0.8345(5) -0.0054(6) 0.270(9) Uani 1 1 d DG U . . .
C185 C 0.4649(10) 0.9088(13) -0.0129(10) 0.440(17) Uani 1 1 d D U . . .
H185 H 0.444066 0.924248 -0.026702 0.529 Uiso 1 1 calc R U . . .
C184 C 0.3503(5) 0.5175(7) 0.0837(7) 0.157(7) Uani 1 1 d D U . . .
C192 C 0.6123(8) 0.8194(10) -0.0225(6) 0.267(8) Uani 1 1 d D U . . .
C193 C 0.6451(8) 0.8017(10) -0.0010(8) 0.264(9) Uani 1 1 d D U . . .
H193 H 0.664304 0.789685 -0.012082 0.317 Uiso 1 1 calc R U . . .
C194 C 0.6501(7) 0.8014(10) 0.0365(8) 0.258(9) Uani 1 1 d D U . . .
H194 H 0.673640 0.791149 0.050745 0.310 Uiso 1 1 calc R U . . .
C195 C 0.6212(7) 0.8157(10) 0.0536(6) 0.252(8) Uani 1 1 d D U . . .
C196 C 0.7030(6) 0.7017(8) 0.7827(4) 0.171(8) Uani 1 1 d D U . . .
H196 H 0.718655 0.688734 0.803269 0.205 Uiso 1 1 calc R U . . .
C199 C 0.6452(5) 0.7369(7) 0.7539(4) 0.157(6) Uani 1 1 d D U . . .
H199 H 0.621119 0.749167 0.755550 0.188 Uiso 1 1 calc R U . . .
C198 C 0.6675(6) 0.7192(8) 0.7848(4) 0.173(8) Uani 1 1 d D U . . .
H198 H 0.658672 0.718983 0.806909 0.208 Uiso 1 1 calc R U . . .
C202 C 0.4492(7) 0.5078(8) 0.1175(5) 0.134(6) Uani 1 1 d . U . . .
H202 H 0.440107 0.480088 0.117836 0.161 Uiso 1 1 calc R U . . .
C205 C 0.4901(6) 0.7366(11) -0.0945(8) 0.269(11) Uani 1 1 d G U . . .
H205 H 0.462661 0.736195 -0.098570 0.322 Uiso 1 1 calc R U . . .
C206 C 0.5110(10) 0.7000(7) -0.0863(8) 0.251(10) Uani 1 1 d G U . . .
C207 C 0.5512(10) 0.7005(7) -0.0803(7) 0.246(10) Uani 1 1 d G U . . .
H207 H 0.565440 0.675488 -0.074701 0.295 Uiso 1 1 calc R U . . .
C208 C 0.5706(6) 0.7377(10) -0.0826(7) 0.271(11) Uani 1 1 d G U . . .
H208 H 0.598049 0.738143 -0.078477 0.325 Uiso 1 1 calc R U . . .
N8 N 0.5497(9) 0.7744(7) -0.0908(7) 0.245(8) Uani 1 1 d G U . . .
C209 C 0.5095(9) 0.7738(7) -0.0967(7) 0.286(11) Uani 1 1 d G U . . .
H209 H 0.495270 0.798851 -0.102346 0.343 Uiso 1 1 calc R U . . .
C261 C 0.1330(15) 0.5868(9) -0.0695(10) 0.334(15) Uani 1 1 d D U . . .
H261 H 0.123738 0.610247 -0.084011 0.401 Uiso 1 1 calc R U . . .
C260 C 0.1470(13) 0.5521(11) -0.0846(7) 0.288(12) Uani 1 1 d D U . . .
H260 H 0.151879 0.553666 -0.108384 0.346 Uiso 1 1 calc R U . . .
C257 C 0.6838(4) 0.3310(6) -0.0197(3) 0.514(9) Uani 1 1 d DG U . . .
C256 C 0.7111(4) 0.3158(7) 0.0087(3) 0.595(11) Uani 1 1 d DG U . . .
C255 C 0.6997(5) 0.2768(6) 0.0169(3) 0.619(12) Uani 1 1 d DG U . . .
C254 C 0.6652(6) 0.2679(6) -0.0063(3) 0.542(11) Uani 1 1 d DG U . . .
C253 C 0.6554(5) 0.3014(6) -0.0289(3) 0.476(9) Uani 1 1 d DG U . . .
C252 C 0.6806(3) 0.2988(6) 0.28379(17) 0.315(9) Uani 1 1 d DG U . . .
C251 C 0.6532(4) 0.3243(6) 0.29319(17) 0.342(10) Uani 1 1 d DG U . . .
C250 C 0.6181(4) 0.3044(6) 0.28424(18) 0.320(9) Uani 1 1 d DG U . . .
C249 C 0.6239(4) 0.2667(6) 0.2693(2) 0.292(8) Uani 1 1 d DG U . . .
C248 C 0.6626(4) 0.2633(6) 0.2690(2) 0.276(8) Uani 1 1 d DG U . . .
C262 C 0.1330(16) 0.5866(9) -0.0325(10) 0.345(15) Uani 1 1 d D U . . .
H262 H 0.127605 0.611261 -0.020693 0.414 Uiso 1 1 calc R U . . .
C263 C 0.1409(13) 0.5496(11) -0.0133(7) 0.300(13) Uani 1 1 d D U . . .
H263 H 0.136541 0.548039 0.010701 0.361 Uiso 1 1 calc R U . . .
C264 C 0.6570(4) 0.3123(5) 0.1478(4) 0.234(8) Uani 1 1 d DG U . . .
C265 C 0.6359(5) 0.2797(6) 0.1582(4) 0.217(8) Uani 1 1 d DG U . . .
C266 C 0.6155(4) 0.2528(5) 0.1323(5) 0.253(9) Uani 1 1 d DG U . . .
C267 C 0.6162(4) 0.2586(5) 0.0959(4) 0.283(9) Uani 1 1 d DG U . . .
C268 C 0.6373(5) 0.2913(6) 0.0855(3) 0.290(8) Uani 1 1 d DG U . . .
C269 C 0.6577(4) 0.3181(5) 0.1115(4) 0.272(8) Uani 1 1 d DG U . . .
C270 C 0.6769(7) 0.3387(7) 0.1740(4) 0.243(8) Uani 1 1 d D U . . .
C271 C 0.6796(7) 0.3500(7) 0.1009(6) 0.358(9) Uani 1 1 d D U . . .
C272 C 0.7046(7) 0.3710(5) 0.1283(7) 0.365(10) Uani 1 1 d D U . . .
H272 H 0.724611 0.387610 0.122267 0.438 Uiso 1 1 calc R U . . .
C273 C 0.7011(7) 0.3686(7) 0.1637(7) 0.316(9) Uani 1 1 d D U . . .
H273 H 0.715093 0.387272 0.181200 0.379 Uiso 1 1 calc R U . . .
C274 C 0.5969(8) 0.2183(7) 0.1425(6) 0.323(13) Uani 1 1 d D U . . .
H274 H 0.598095 0.212245 0.167333 0.388 Uiso 1 1 calc R U . . .
C275 C 0.5765(8) 0.1927(8) 0.1155(8) 0.392(16) Uani 1 1 d D U . . .
H275 H 0.561410 0.170667 0.122117 0.470 Uiso 1 1 calc R U . . .
C277 C 0.5982(8) 0.2314(8) 0.0694(5) 0.381(14) Uani 1 1 d D U . . .
H277 H 0.600022 0.235166 0.044847 0.458 Uiso 1 1 calc R U . . .
C278 C 0.2133(2) 0.5765(3) 0.2555(2) 0.253(7) Uani 1 1 d DG U . . .
C279 C 0.2124(2) 0.6082(3) 0.2849(3) 0.246(6) Uani 1 1 d DG U . . .
C280 C 0.2247(2) 0.6496(3) 0.2720(3) 0.239(7) Uani 1 1 d DG U . . .
C281 C 0.23317(17) 0.6434(3) 0.2348(3) 0.242(7) Uani 1 1 d DG U . . .
C282 C 0.2261(2) 0.5983(4) 0.2246(2) 0.256(7) Uani 1 1 d DG U . . .
C283 C 0.6285(3) 0.8409(5) 0.1723(2) 0.310(8) Uani 1 1 d DG U . . .
C284 C 0.6095(3) 0.8137(5) 0.1864(2) 0.318(10) Uani 1 1 d DG U . . .
C285 C 0.5749(3) 0.8276(4) 0.18436(18) 0.332(10) Uani 1 1 d DG U . . .
C286 C 0.5727(4) 0.8634(4) 0.1690(3) 0.327(9) Uani 1 1 d DG U . . .
C287 C 0.6058(4) 0.8716(4) 0.1615(2) 0.324(8) Uani 1 1 d DG U . . .
C276 C 0.5773(8) 0.1983(8) 0.0793(7) 0.423(16) Uani 1 1 d D U . . .
H276 H 0.563766 0.179829 0.061453 0.507 Uiso 1 1 calc R U . . .
C291 C 0.1372(8) 0.5019(7) 0.1092(10) 0.42(2) Uani 1 1 d D U . . .
H29A H 0.156902 0.521205 0.121882 0.630 Uiso 1 1 calc R U . . .
H29B H 0.127467 0.511808 0.084404 0.630 Uiso 1 1 calc R U . . .
H29C H 0.115702 0.500478 0.122012 0.630 Uiso 1 1 calc R U . . .
C292 C 0.1016(6) 0.4229(9) 0.0695(8) 0.394(19) Uani 1 1 d D U . . .
H29D H 0.087478 0.448711 0.071537 0.591 Uiso 1 1 calc R U . . .
H29E H 0.105300 0.419774 0.044575 0.591 Uiso 1 1 calc R U . . .
H29F H 0.086631 0.399228 0.075617 0.591 Uiso 1 1 calc R U . . .
C290 C 0.2194(7) 0.4816(8) 0.1441(8) 0.41(2) Uani 1 1 d D U . . .
H29G H 0.244809 0.468125 0.150756 0.622 Uiso 1 1 calc R U . . .
H29H H 0.221679 0.506877 0.130176 0.622 Uiso 1 1 calc R U . . .
H29I H 0.210322 0.488963 0.166170 0.622 Uiso 1 1 calc R U . . .
C289 C 0.2325(7) 0.3889(8) 0.1370(9) 0.44(2) Uani 1 1 d D U . . .
H28A H 0.253583 0.407721 0.147908 0.660 Uiso 1 1 calc DR U . . .
H28B H 0.224006 0.373123 0.156197 0.660 Uiso 1 1 calc R U . . .
H28C H 0.241662 0.369722 0.120491 0.660 Uiso 1 1 calc R U . . .
C288 C 0.1615(5) 0.3520(5) 0.0881(9) 0.47(2) Uani 1 1 d D U . . .
H28D H 0.186183 0.337110 0.095181 0.712 Uiso 1 1 calc R U . . .
H28E H 0.142122 0.339066 0.099735 0.712 Uiso 1 1 calc R U . . .
H28F H 0.152746 0.350671 0.061696 0.712 Uiso 1 1 calc R U . . .
C295 C 0.2116(12) 0.3144(6) 0.6238(5) 0.41(2) Uani 1 1 d D U . . .
H29J H 0.209580 0.285033 0.616849 0.614 Uiso 1 1 calc R U . . .
H29K H 0.185551 0.326109 0.621628 0.614 Uiso 1 1 calc R U . . .
H29L H 0.225377 0.329601 0.607826 0.614 Uiso 1 1 calc R U . . .
C294 C 0.2429(9) 0.2427(5) 0.6749(6) 0.345(18) Uani 1 1 d D U . . .
H29M H 0.229215 0.239110 0.649740 0.518 Uiso 1 1 calc R U . . .
H29N H 0.268242 0.228982 0.678497 0.518 Uiso 1 1 calc R U . . .
H29O H 0.227700 0.230363 0.691191 0.518 Uiso 1 1 calc R U . . .
C297 C 0.2826(9) 0.3747(5) 0.7389(5) 0.42(2) Uani 1 1 d D U . . .
H29P H 0.295064 0.359842 0.760938 0.635 Uiso 1 1 calc R U . . .
H29Q H 0.302488 0.388572 0.728413 0.635 Uiso 1 1 calc R U . . .
H29R H 0.264713 0.395527 0.744969 0.635 Uiso 1 1 calc R U . . .
C296 C 0.2315(9) 0.3955(5) 0.6652(5) 0.382(18) Uani 1 1 d D U . . .
H29S H 0.216202 0.393744 0.640374 0.573 Uiso 1 1 calc R U . . .
H29T H 0.216538 0.410202 0.680476 0.573 Uiso 1 1 calc R U . . .
H29U H 0.255547 0.410746 0.665108 0.573 Uiso 1 1 calc R U . . .
C298 C 0.6193(8) 0.3034(10) -0.0556(8) 0.480(18) Uani 1 1 d D U . . .
H29V H 0.617986 0.329753 -0.068833 0.720 Uiso 1 1 calc R U . . .
H29W H 0.618079 0.280216 -0.072651 0.720 Uiso 1 1 calc R U . . .
H29X H 0.597440 0.301597 -0.043318 0.720 Uiso 1 1 calc R U . . .
C300 C 0.7227(10) 0.2485(11) 0.0424(9) 0.69(3) Uani 1 1 d D U . . .
H30A H 0.708127 0.222794 0.043539 1.029 Uiso 1 1 calc R U . . .
H30B H 0.746819 0.242194 0.034528 1.029 Uiso 1 1 calc R U . . .
H30C H 0.728719 0.261426 0.066474 1.029 Uiso 1 1 calc R U . . .
C299 C 0.6434(11) 0.2299(10) -0.0060(11) 0.73(3) Uani 1 1 d D U . . .
H29Y H 0.657240 0.211405 0.012957 1.101 Uiso 1 1 calc R U . . .
H29Z H 0.617811 0.236420 -0.001197 1.101 Uiso 1 1 calc R U . . .
H210 H 0.640364 0.216146 -0.029619 1.101 Uiso 1 1 calc R U . . .
C301 C 0.7464(8) 0.3367(11) 0.0243(10) 0.66(3) Uani 1 1 d D U . . .
H30D H 0.746752 0.364172 0.013133 0.988 Uiso 1 1 calc R U . . .
H30E H 0.748248 0.339884 0.050424 0.988 Uiso 1 1 calc R U . . .
H30F H 0.768474 0.320340 0.019994 0.988 Uiso 1 1 calc R U . . .
C302 C 0.6847(10) 0.3700(9) -0.0386(9) 0.396(13) Uani 1 1 d D U . . .
H30G H 0.661292 0.372643 -0.057667 0.594 Uiso 1 1 calc R U . . .
H30H H 0.685911 0.393129 -0.021485 0.594 Uiso 1 1 calc R U . . .
H30I H 0.707606 0.370763 -0.049564 0.594 Uiso 1 1 calc R U . . .
C308 C 0.6709(6) 0.8503(15) 0.1710(10) 0.37(2) Uani 1 1 d D U . . .
H30J H 0.686948 0.825993 0.179422 0.562 Uiso 1 1 calc DR U . . .
H30K H 0.672805 0.856877 0.146049 0.562 Uiso 1 1 calc R U . . .
H30L H 0.679956 0.874114 0.186690 0.562 Uiso 1 1 calc R U . . .
C307 C 0.2281(9) 0.5811(9) 0.1888(4) 0.39(2) Uani 1 1 d D U . . .
H30M H 0.222502 0.551231 0.188437 0.583 Uiso 1 1 calc R U . . .
H30N H 0.209021 0.595058 0.170004 0.583 Uiso 1 1 calc R U . . .
H30O H 0.254126 0.585486 0.184136 0.583 Uiso 1 1 calc R U . . .
C306 C 0.2484(8) 0.6768(6) 0.2151(7) 0.278(10) Uani 1 1 d D U . . .
H30P H 0.249588 0.702722 0.228833 0.417 Uiso 1 1 calc R U . . .
H501 H 0.274522 0.669334 0.212019 0.417 Uiso 1 1 calc R U . . .
H502 H 0.231437 0.680442 0.191218 0.417 Uiso 1 1 calc R U . . .
C305 C 0.2236(8) 0.6879(5) 0.2930(6) 0.299(15) Uani 1 1 d D U . . .
H505 H 0.232631 0.711279 0.280322 0.448 Uiso 1 1 calc R U . . .
H506 H 0.196986 0.693153 0.295712 0.448 Uiso 1 1 calc R U . . .
H30S H 0.240455 0.684788 0.317025 0.448 Uiso 1 1 calc R U . . .
C304 C 0.1891(7) 0.6004(9) 0.3126(6) 0.337(16) Uani 1 1 d D U . . .
H30T H 0.185785 0.570412 0.315148 0.505 Uiso 1 1 calc R U . . .
H30U H 0.202477 0.612066 0.335824 0.505 Uiso 1 1 calc R U . . .
H30V H 0.163695 0.613617 0.305113 0.505 Uiso 1 1 calc R U . . .
C303 C 0.1920(7) 0.5369(6) 0.2538(8) 0.342(17) Uani 1 1 d D U . . .
H30W H 0.187439 0.530008 0.277882 0.512 Uiso 1 1 calc R U . . .
H508 H 0.167111 0.539470 0.236681 0.512 Uiso 1 1 calc R U . . .
H507 H 0.207314 0.514747 0.245675 0.512 Uiso 1 1 calc R U . . .
C309 C 0.6423(8) 0.7834(9) 0.2018(8) 0.45(3) Uani 1 1 d D U . . .
H30X H 0.631875 0.760226 0.213804 0.677 Uiso 1 1 calc R U . . .
H30Y H 0.653721 0.772598 0.182129 0.677 Uiso 1 1 calc R U . . .
H30Z H 0.662166 0.797878 0.219476 0.677 Uiso 1 1 calc R U . . .
C310 C 0.5431(11) 0.8121(16) 0.2033(11) 0.42(2) Uani 1 1 d D U . . .
H31G H 0.549818 0.784340 0.213337 0.635 Uiso 1 1 calc R U . . .
H31H H 0.540676 0.831255 0.222911 0.635 Uiso 1 1 calc R U . . .
H31I H 0.518396 0.810810 0.185734 0.635 Uiso 1 1 calc R U . . .
C311 C 0.5416(8) 0.8974(9) 0.1572(11) 0.42(2) Uani 1 1 d D U . . .
H31A H 0.552875 0.920565 0.146060 0.631 Uiso 1 1 calc DR U . . .
H31B H 0.519775 0.885739 0.139701 0.631 Uiso 1 1 calc R U . . .
H31C H 0.532426 0.907485 0.178509 0.631 Uiso 1 1 calc R U . . .
C312 C 0.6277(12) 0.9077(9) 0.1476(10) 0.366(19) Uani 1 1 d D U . . .
H31D H 0.609676 0.930627 0.139549 0.549 Uiso 1 1 calc R U . . .
H31E H 0.648627 0.917299 0.167086 0.549 Uiso 1 1 calc R U . . .
H31F H 0.638576 0.897950 0.127152 0.549 Uiso 1 1 calc R U . . .
C314 C 0.8168(11) 0.7525(7) 0.6918(7) 0.56(3) Uani 1 1 d D U . . .
H31J H 0.820478 0.744872 0.717449 0.834 Uiso 1 1 calc R U . . .
H31K H 0.838318 0.770046 0.688153 0.834 Uiso 1 1 calc R U . . .
H31L H 0.792366 0.767782 0.684508 0.834 Uiso 1 1 calc R U . . .
C313 C 0.8274(8) 0.6604(9) 0.7171(5) 0.48(2) Uani 1 1 d D U . . .
H31M H 0.827737 0.684176 0.733441 0.714 Uiso 1 1 calc R U . . .
H31N H 0.807858 0.640317 0.721254 0.714 Uiso 1 1 calc R U . . .
H31O H 0.852935 0.647100 0.721943 0.714 Uiso 1 1 calc R U . . .
C316 C 0.8036(11) 0.6653(9) 0.5834(5) 0.55(3) Uani 1 1 d D U . . .
H31P H 0.804854 0.635013 0.581592 0.818 Uiso 1 1 calc R U . . .
H31Q H 0.777962 0.675018 0.570920 0.818 Uiso 1 1 calc R U . . .
H31R H 0.823483 0.677893 0.572096 0.818 Uiso 1 1 calc R U . . .
C315 C 0.8070(9) 0.7537(7) 0.6116(7) 0.52(2) Uani 1 1 d D U . . .
H31S H 0.803666 0.746053 0.585980 0.778 Uiso 1 1 calc R U . . .
H31T H 0.784461 0.769770 0.615156 0.778 Uiso 1 1 calc R U . . .
H31U H 0.830448 0.770590 0.618754 0.778 Uiso 1 1 calc R U . . .
C318 C 0.6807(8) 0.2254(8) 0.2606(8) 0.329(17) Uani 1 1 d D U . . .
H31V H 0.660636 0.205174 0.250340 0.493 Uiso 1 1 calc R U . . .
H31W H 0.696856 0.231279 0.243018 0.493 Uiso 1 1 calc R U . . .
H31X H 0.696787 0.214027 0.282799 0.493 Uiso 1 1 calc R U . . .
C317 C 0.8178(11) 0.6062(6) 0.6507(8) 0.54(3) Uani 1 1 d D U . . .
H31Y H 0.814615 0.595303 0.626031 0.808 Uiso 1 1 calc R U . . .
H31Z H 0.843257 0.598107 0.664849 0.808 Uiso 1 1 calc R U . . .
H310 H 0.797499 0.594723 0.662145 0.808 Uiso 1 1 calc R U . . .
C319 C 0.5945(7) 0.2346(8) 0.2633(8) 0.352(16) Uani 1 1 d D U . . .
H311 H 0.569478 0.246594 0.265203 0.528 Uiso 1 1 calc R U . . .
H312 H 0.592556 0.222699 0.239033 0.528 Uiso 1 1 calc R U . . .
H313 H 0.601523 0.212657 0.281504 0.528 Uiso 1 1 calc R U . . .
C320 C 0.5821(7) 0.3211(11) 0.2913(9) 0.45(2) Uani 1 1 d D U . . .
H32A H 0.560988 0.301445 0.282532 0.670 Uiso 1 1 calc R U . . .
H32B H 0.584634 0.325323 0.317390 0.670 Uiso 1 1 calc R U . . .
H32C H 0.576369 0.347674 0.278649 0.670 Uiso 1 1 calc R U . . .
C321 C 0.6618(9) 0.3656(8) 0.3091(9) 0.47(2) Uani 1 1 d D U . . .
H32D H 0.637965 0.378203 0.313612 0.706 Uiso 1 1 calc R U . . .
H32E H 0.680748 0.363134 0.331973 0.706 Uiso 1 1 calc R U . . .
H32F H 0.672471 0.383139 0.292271 0.706 Uiso 1 1 calc R U . . .
C322 C 0.7219(6) 0.3075(11) 0.2877(8) 0.363(19) Uani 1 1 d D U . . .
H32G H 0.727835 0.334795 0.298941 0.545 Uiso 1 1 calc R U . . .
H32H H 0.736944 0.286098 0.302987 0.545 Uiso 1 1 calc R U . . .
H32I H 0.728652 0.307292 0.263756 0.545 Uiso 1 1 calc R U . . .
C324 C 0.1966(9) 0.3807(9) -0.1984(10) 0.45(2) Uani 1 1 d D U . . .
H32J H 0.192002 0.354858 -0.186167 0.677 Uiso 1 1 calc R U . . .
H32K H 0.194715 0.375287 -0.224246 0.677 Uiso 1 1 calc R U . . .
H32L H 0.222475 0.391299 -0.187760 0.677 Uiso 1 1 calc R U . . .
C323 C 0.1984(9) 0.4717(10) -0.2224(9) 0.375(19) Uani 1 1 d D U . . .
H32M H 0.221303 0.453890 -0.220317 0.563 Uiso 1 1 calc R U . . .
H32N H 0.188653 0.478947 -0.247857 0.563 Uiso 1 1 calc R U . . .
H32O H 0.205462 0.497132 -0.208233 0.563 Uiso 1 1 calc R U . . .
C325 C 0.1197(8) 0.3694(8) -0.1687(9) 0.48(2) Uani 1 1 d D U . . .
H32P H 0.140413 0.348579 -0.164755 0.714 Uiso 1 1 calc R U . . .
H32Q H 0.113152 0.376617 -0.145422 0.714 Uiso 1 1 calc R U . . .
H32R H 0.096776 0.358088 -0.185001 0.714 Uiso 1 1 calc R U . . .
C327 C 0.1256(9) 0.5123(7) -0.2155(10) 0.46(2) Uani 1 1 d D U . . .
H32S H 0.098698 0.517785 -0.213996 0.683 Uiso 1 1 calc R U . . .
H32T H 0.142971 0.529023 -0.197282 0.683 Uiso 1 1 calc R U . . .
H32U H 0.129524 0.519586 -0.239682 0.683 Uiso 1 1 calc R U . . .
C328 C 0.4957(5) 0.8870(8) -0.1428(9) 0.50(3) Uani 1 1 d D U . . .
H32V H 0.493966 0.910531 -0.126716 0.756 Uiso 1 1 calc R U . . .
H32W H 0.487633 0.895891 -0.168073 0.756 Uiso 1 1 calc R U . . .
H32X H 0.478612 0.864595 -0.137892 0.756 Uiso 1 1 calc DR U . . .
C329 C 0.5606(9) 0.9332(9) -0.0976(10) 0.55(3) Uani 1 1 d D U . . .
H32Y H 0.533133 0.939173 -0.099024 0.829 Uiso 1 1 calc R U . . .
H32Z H 0.573764 0.930316 -0.072183 0.829 Uiso 1 1 calc R U . . .
H314 H 0.572429 0.956019 -0.108746 0.829 Uiso 1 1 calc R U . . .
C330 C 0.6368(6) 0.8934(10) -0.1051(8) 0.47(2) Uani 1 1 d D U . . .
H33A H 0.656266 0.874842 -0.111685 0.699 Uiso 1 1 calc R U . . .
H33B H 0.639559 0.921240 -0.114877 0.699 Uiso 1 1 calc R U . . .
H33C H 0.640515 0.894930 -0.078696 0.699 Uiso 1 1 calc R U . . .
C331 C 0.6171(8) 0.8141(8) -0.1514(9) 0.434(19) Uani 1 1 d D U . . .
H33D H 0.602827 0.793120 -0.167734 0.651 Uiso 1 1 calc R U . . .
H33E H 0.635508 0.828315 -0.163466 0.651 Uiso 1 1 calc R U . . .
H33F H 0.631240 0.800537 -0.129313 0.651 Uiso 1 1 calc R U . . .
C332 C 0.5278(8) 0.8140(10) -0.1793(9) 0.50(3) Uani 1 1 d D U . . .
H33G H 0.544390 0.793122 -0.187367 0.748 Uiso 1 1 calc R U . . .
H33H H 0.507946 0.800132 -0.168889 0.748 Uiso 1 1 calc R U . . .
H33I H 0.515354 0.831010 -0.200020 0.748 Uiso 1 1 calc R U . . .
C326 C 0.0755(8) 0.4488(12) -0.1821(11) 0.46(2) Uani 1 1 d D U . . .
H315 H 0.064651 0.475720 -0.191318 0.693 Uiso 1 1 calc R U . . .
H316 H 0.057072 0.426668 -0.191600 0.693 Uiso 1 1 calc R U . . .
H317 H 0.080258 0.448810 -0.155599 0.693 Uiso 1 1 calc R U . . .
C293 C 0.2859(11) 0.2809(6) 0.7466(5) 0.41(2) Uani 1 1 d D U . . .
H211 H 0.296150 0.300652 0.766051 0.617 Uiso 1 1 calc R U . . .
H212 H 0.267615 0.262044 0.754742 0.617 Uiso 1 1 calc R U . . .
H213 H 0.307262 0.264850 0.740559 0.617 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -0.0161 2.8414 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2925 0.4295 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C229 Rh1 C230 40.35(11) . . ?
C229 Rh1 C233 40.33(12) . . ?
C230 Rh1 C233 67.68(16) . . ?
C229 Rh1 C231 67.59(15) . . ?
C230 Rh1 C231 40.14(11) . . ?
C233 Rh1 C231 67.45(16) . . ?
C229 Rh1 C232 67.58(17) . . ?
C230 Rh1 C232 67.44(15) . . ?
C233 Rh1 C232 40.13(12) . . ?
C231 Rh1 C232 40.00(11) . . ?
C229 Rh1 O12 95.6(5) . . ?
C230 Rh1 O12 94.2(5) . . ?
C233 Rh1 O12 129.7(5) . . ?
C231 Rh1 O12 126.7(6) . . ?
C232 Rh1 O12 161.0(5) . . ?
C229 Rh1 O11 157.9(6) . . ?
C230 Rh1 O11 117.6(6) . . ?
C233 Rh1 O11 143.6(5) . . ?
C231 Rh1 O11 93.5(5) . . ?
C232 Rh1 O11 105.7(5) . . ?
O12 Rh1 O11 86.6(7) . . ?
C229 Rh1 N1 120.0(5) . . ?
C230 Rh1 N1 160.3(5) . . ?
C233 Rh1 N1 96.3(5) . . ?
C231 Rh1 N1 145.3(5) . . ?
C232 Rh1 N1 108.1(5) . . ?
O12 Rh1 N1 87.5(7) . . ?
O11 Rh1 N1 82.0(7) . . ?
O9 Rh2 C121 157.1(9) . . ?
O9 Rh2 O10 87.1(7) . . ?
C121 Rh2 O10 115.5(9) . . ?
O9 Rh2 C122 143.7(11) . . ?
C121 Rh2 C122 38.3(4) . . ?
O10 Rh2 C122 94.0(8) . . ?
O9 Rh2 C120 119.1(10) . . ?
C121 Rh2 C120 38.2(4) . . ?
O10 Rh2 C120 153.6(10) . . ?
C122 Rh2 C120 63.5(6) . . ?
O9 Rh2 N6 84.1(7) . . ?
C121 Rh2 N6 100.0(7) . . ?
O10 Rh2 N6 85.6(7) . . ?
C122 Rh2 N6 132.2(10) . . ?
C120 Rh2 N6 99.3(7) . . ?
O9 Rh2 C123 108.2(10) . . ?
C121 Rh2 C123 63.2(6) . . ?
O10 Rh2 C123 108.5(9) . . ?
C122 Rh2 C123 37.5(4) . . ?
C120 Rh2 C123 62.6(7) . . ?
N6 Rh2 C123 161.3(8) . . ?
O9 Rh2 C119 96.9(9) . . ?
C121 Rh2 C119 63.1(6) . . ?
O10 Rh2 C119 144.7(10) . . ?
C122 Rh2 C119 62.6(7) . . ?
C120 Rh2 C119 37.4(4) . . ?
N6 Rh2 C119 129.7(9) . . ?
C123 Rh2 C119 37.0(5) . . ?
O7 Rh3 N5 87.7(7) . . ?
O7 Rh3 C110 93.4(7) . . ?
N5 Rh3 C110 155.5(8) . . ?
O7 Rh3 C111 122.0(7) . . ?
N5 Rh3 C111 149.9(9) . . ?
C110 Rh3 C111 39.6(3) . . ?
O7 Rh3 C109 100.7(8) . . ?
N5 Rh3 C109 116.3(8) . . ?
C110 Rh3 C109 39.5(4) . . ?
C111 Rh3 C109 66.2(5) . . ?
O7 Rh3 C112 159.3(7) . . ?
N5 Rh3 C112 112.0(8) . . ?
C110 Rh3 C112 66.0(5) . . ?
C111 Rh3 C112 39.3(3) . . ?
C109 Rh3 C112 65.7(5) . . ?
O7 Rh3 C113 136.4(8) . . ?
N5 Rh3 C113 96.8(7) . . ?
C110 Rh3 C113 65.9(5) . . ?
C111 Rh3 C113 65.7(5) . . ?
C109 Rh3 C113 39.1(3) . . ?
C112 Rh3 C113 38.9(3) . . ?
O7 Rh3 O8 89.6(6) . . ?
N5 Rh3 O8 83.8(6) . . ?
C110 Rh3 O8 120.7(7) . . ?
C111 Rh3 O8 91.4(6) . . ?
C109 Rh3 O8 157.5(6) . . ?
C112 Rh3 O8 98.3(6) . . ?
C113 Rh3 O8 133.9(7) . . ?
O4 Rh4 C96 137.2(7) . . ?
O4 Rh4 O3 84.0(7) . . ?
C96 Rh4 O3 138.8(7) . . ?
O4 Rh4 C95 103.8(7) . . ?
C96 Rh4 C95 38.4(3) . . ?
O3 Rh4 C95 157.5(7) . . ?
O4 Rh4 N2 83.1(7) . . ?
C96 Rh4 N2 97.2(6) . . ?
O3 Rh4 N2 85.1(7) . . ?
C95 Rh4 N2 116.5(7) . . ?
O4 Rh4 C97 160.7(6) . . ?
C96 Rh4 C97 37.3(2) . . ?
O3 Rh4 C97 104.8(7) . . ?
C95 Rh4 C97 62.0(3) . . ?
N2 Rh4 C97 114.4(6) . . ?
O4 Rh4 C94 101.2(6) . . ?
C96 Rh4 C94 61.5(3) . . ?
O3 Rh4 C94 121.9(7) . . ?
C95 Rh4 C94 36.3(2) . . ?
N2 Rh4 C94 152.9(7) . . ?
C97 Rh4 C94 59.6(3) . . ?
O4 Rh4 C93 127.5(6) . . ?
C96 Rh4 C93 60.5(3) . . ?
O3 Rh4 C93 98.4(7) . . ?
C95 Rh4 C93 59.9(3) . . ?
N2 Rh4 C93 149.3(6) . . ?
C97 Rh4 C93 35.2(2) . . ?
C94 Rh4 C93 34.8(2) . . ?
C221 Rh5 O5 100.1(6) . . ?
C221 Rh5 O6 123.9(5) . . ?
O5 Rh5 O6 86.2(6) . . ?
C221 Rh5 N3 151.6(5) . . ?
O5 Rh5 N3 84.2(6) . . ?
O6 Rh5 N3 84.2(6) . . ?
C221 Rh5 C220 38.77(14) . . ?
O5 Rh5 C220 129.4(6) . . ?
O6 Rh5 C220 96.6(5) . . ?
N3 Rh5 C220 146.4(5) . . ?
C221 Rh5 C222 38.76(14) . . ?
O5 Rh5 C222 104.5(5) . . ?
O6 Rh5 C222 160.4(5) . . ?
N3 Rh5 C222 112.9(5) . . ?
C220 Rh5 C222 63.9(2) . . ?
C221 Rh5 C224 63.2(2) . . ?
O5 Rh5 C224 163.2(5) . . ?
O6 Rh5 C224 103.9(5) . . ?
N3 Rh5 C224 109.9(5) . . ?
C220 Rh5 C224 37.18(14) . . ?
C222 Rh5 C224 62.2(2) . . ?
C221 Rh5 C223 63.1(2) . . ?
O5 Rh5 C223 136.9(5) . . ?
O6 Rh5 C223 136.7(5) . . ?
N3 Rh5 C223 94.5(5) . . ?
C220 Rh5 C223 62.2(2) . . ?
C222 Rh5 C223 37.14(16) . . ?
C224 Rh5 C223 36.37(16) . . ?
C279 Rh6 C278 47.78(15) . . ?
C279 Rh6 C280 44.87(15) . . ?
C278 Rh6 C280 76.7(2) . . ?
C279 Rh6 C282 76.6(2) . . ?
C278 Rh6 C282 44.72(15) . . ?
C280 Rh6 C282 72.4(2) . . ?
C279 Rh6 N4 94.9(7) . . ?
C278 Rh6 N4 124.9(8) . . ?
C280 Rh6 N4 105.9(7) . . ?
C282 Rh6 N4 169.6(8) . . ?
C279 Rh6 O1 150.2(5) . . ?
C278 Rh6 O1 149.5(5) . . ?
C280 Rh6 O1 106.7(5) . . ?
C282 Rh6 O1 106.4(5) . . ?
N4 Rh6 O1 84.0(8) . . ?
C279 Rh6 O2 123.5(6) . . ?
C278 Rh6 O2 88.0(6) . . ?
C280 Rh6 O2 164.6(5) . . ?
C282 Rh6 O2 96.2(6) . . ?
N4 Rh6 O2 83.4(7) . . ?
O1 Rh6 O2 86.1(7) . . ?
C279 Rh6 C281 73.8(2) . . ?
C278 Rh6 C281 73.7(2) . . ?
C280 Rh6 C281 41.53(13) . . ?
C282 Rh6 C281 41.47(13) . . ?
N4 Rh6 C281 142.2(7) . . ?
O1 Rh6 C281 88.9(4) . . ?
O2 Rh6 C281 133.1(6) . . ?
C105 Rh7 C104 41.0(3) . . ?
C105 Rh7 C106 40.1(3) . . ?
C104 Rh7 C106 64.8(4) . . ?
C105 Rh7 O13 105.0(8) . . ?
C104 Rh7 O13 144.4(8) . . ?
C106 Rh7 O13 96.4(8) . . ?
C105 Rh7 N7 110.0(9) . . ?
C104 Rh7 N7 96.7(8) . . ?
C106 Rh7 N7 149.5(8) . . ?
O13 Rh7 N7 85.3(8) . . ?
C105 Rh7 O14 161.9(9) . . ?
C104 Rh7 O14 131.8(8) . . ?
C106 Rh7 O14 124.3(9) . . ?
O13 Rh7 O14 83.7(8) . . ?
N7 Rh7 O14 86.2(9) . . ?
C105 Rh7 C108 61.7(4) . . ?
C104 Rh7 C108 34.9(3) . . ?
C106 Rh7 C108 58.8(4) . . ?
O13 Rh7 C108 154.2(8) . . ?
N7 Rh7 C108 119.5(8) . . ?
O14 Rh7 C108 103.7(8) . . ?
C105 Rh7 C107 61.0(4) . . ?
C104 Rh7 C107 58.9(4) . . ?
C106 Rh7 C107 34.4(3) . . ?
O13 Rh7 C107 121.7(8) . . ?
N7 Rh7 C107 152.5(8) . . ?
O14 Rh7 C107 100.9(8) . . ?
C108 Rh7 C107 33.1(2) . . ?
O16 Rh8 O15 90.9(10) . . ?
O16 Rh8 C236 123.8(7) . . ?
O15 Rh8 C236 142.8(8) . . ?
O16 Rh8 C237 100.3(7) . . ?
O15 Rh8 C237 155.8(7) . . ?
C236 Rh8 C237 40.48(12) . . ?
O16 Rh8 C235 164.1(7) . . ?
O15 Rh8 C235 104.3(8) . . ?
C236 Rh8 C235 40.37(11) . . ?
C237 Rh8 C235 67.59(16) . . ?
O16 Rh8 C238 110.9(6) . . ?
O15 Rh8 C238 115.9(7) . . ?
C236 Rh8 C238 67.41(16) . . ?
C237 Rh8 C238 39.97(12) . . ?
C235 Rh8 C238 66.92(18) . . ?
O16 Rh8 C234 146.4(6) . . ?
O15 Rh8 C234 91.9(7) . . ?
C236 Rh8 C234 67.27(17) . . ?
C237 Rh8 C234 67.01(17) . . ?
C235 Rh8 C234 39.77(14) . . ?
C238 Rh8 C234 39.53(13) . . ?
O16 Rh8 N11 82.2(8) . . ?
O15 Rh8 N11 85.0(8) . . ?
C236 Rh8 N11 86.7(5) . . ?
C237 Rh8 N11 117.6(6) . . ?
C235 Rh8 N11 94.2(6) . . ?
C238 Rh8 N11 154.1(5) . . ?
C234 Rh8 N11 131.3(6) . . ?
C287 Rh9 C283 44.2(2) . . ?
C287 Rh9 C286 39.77(19) . . ?
C283 Rh9 C286 66.9(2) . . ?
C287 Rh9 O17 127.2(8) . . ?
C283 Rh9 O17 108.0(8) . . ?
C286 Rh9 O17 165.9(7) . . ?
C287 Rh9 N9 143.4(6) . . ?
C283 Rh9 N9 118.8(7) . . ?
C286 Rh9 N9 107.4(6) . . ?
O17 Rh9 N9 86.7(8) . . ?
C287 Rh9 C284 65.0(2) . . ?
C283 Rh9 C284 36.87(16) . . ?
C286 Rh9 C284 60.15(18) . . ?
O17 Rh9 C284 124.2(8) . . ?
N9 Rh9 C284 85.3(6) . . ?
C287 Rh9 O18 109.2(8) . . ?
C283 Rh9 O18 152.7(8) . . ?
C286 Rh9 O18 96.5(7) . . ?
O17 Rh9 O18 82.7(10) . . ?
N9 Rh9 O18 86.1(8) . . ?
C284 Rh9 O18 151.1(7) . . ?
C287 Rh9 C285 61.7(2) . . ?
C283 Rh9 C285 60.6(2) . . ?
C286 Rh9 C285 34.26(12) . . ?
O17 Rh9 C285 155.6(7) . . ?
N9 Rh9 C285 81.7(6) . . ?
C284 Rh9 C285 33.71(12) . . ?
O18 Rh9 C285 117.6(7) . . ?
C249 Rh10 C248 40.2(3) . . ?
C249 Rh10 C250 40.08(19) . . ?
C248 Rh10 C250 67.1(3) . . ?
C249 Rh10 C252 66.9(3) . . ?
C248 Rh10 C252 39.64(17) . . ?
C250 Rh10 C252 66.29(17) . . ?
C249 Rh10 C251 66.7(2) . . ?
C248 Rh10 C251 66.4(2) . . ?
C250 Rh10 C251 39.40(11) . . ?
C252 Rh10 C251 39.16(12) . . ?
C249 Rh10 N10 124.1(7) . . ?
C248 Rh10 N10 164.0(6) . . ?
C250 Rh10 N10 98.4(6) . . ?
C252 Rh10 N10 141.9(7) . . ?
C251 Rh10 N10 107.0(6) . . ?
C249 Rh10 O20 153.4(7) . . ?
C248 Rh10 O20 113.4(7) . . ?
C250 Rh10 O20 149.0(8) . . ?
C252 Rh10 O20 93.9(6) . . ?
C251 Rh10 O20 110.5(7) . . ?
N10 Rh10 O20 82.4(7) . . ?
C249 Rh10 O19 94.9(6) . . ?
C248 Rh10 O19 98.8(6) . . ?
C250 Rh10 O19 125.9(7) . . ?
C252 Rh10 O19 133.4(7) . . ?
C251 Rh10 O19 161.5(7) . . ?
N10 Rh10 O19 84.4(6) . . ?
O20 Rh10 O19 85.1(7) . . ?
C257 Rh11 C256 40.00(13) . . ?
C257 Rh11 C253 39.58(12) . . ?
C256 Rh11 C253 65.54(19) . . ?
C257 Rh11 N12 105.3(7) . . ?
C256 Rh11 N12 139.7(10) . . ?
C253 Rh11 N12 101.6(8) . . ?
C257 Rh11 O22 146.5(8) . . ?
C256 Rh11 O22 135.8(8) . . ?
C253 Rh11 O22 107.4(7) . . ?
N12 Rh11 O22 84.1(10) . . ?
C257 Rh11 C255 64.8(2) . . ?
C256 Rh11 C255 38.1(2) . . ?
C253 Rh11 C255 63.4(3) . . ?
N12 Rh11 C255 164.8(8) . . ?
O22 Rh11 C255 98.3(8) . . ?
C257 Rh11 C254 64.4(2) . . ?
C256 Rh11 C254 63.6(3) . . ?
C253 Rh11 C254 37.6(2) . . ?
N12 Rh11 C254 129.3(10) . . ?
O22 Rh11 C254 84.6(7) . . ?
C255 Rh11 C254 36.9(2) . . ?
C257 Rh11 O21 110.7(7) . . ?
C256 Rh11 O21 88.6(7) . . ?
C253 Rh11 O21 150.1(7) . . ?
N12 Rh11 O21 88.3(10) . . ?
O22 Rh11 O21 101.6(7) . . ?
C255 Rh11 O21 105.8(7) . . ?
C254 Rh11 O21 142.4(7) . . ?
C74 O11 Rh1 125.4(13) . . ?
O24 Rh12 O23 89.9(13) . . ?
O24 Rh12 C218 143.6(9) . . ?
O23 Rh12 C218 108.0(9) . . ?
O24 Rh12 C217 108.8(8) . . ?
O23 Rh12 C217 93.4(9) . . ?
C218 Rh12 C217 40.78(11) . . ?
O24 Rh12 C219 121.2(10) . . ?
O23 Rh12 C219 146.9(10) . . ?
C218 Rh12 C219 40.18(15) . . ?
C217 Rh12 C219 67.47(19) . . ?
O24 Rh12 C216 76.3(9) . . ?
O23 Rh12 C216 116.3(9) . . ?
C218 Rh12 C216 67.41(17) . . ?
C217 Rh12 C216 40.03(12) . . ?
C219 Rh12 C216 66.3(2) . . ?
O24 Rh12 C215 83.7(10) . . ?
O23 Rh12 C215 155.5(8) . . ?
C218 Rh12 C215 66.8(2) . . ?
C217 Rh12 C215 66.7(2) . . ?
C219 Rh12 C215 39.17(18) . . ?
C216 Rh12 C215 39.12(16) . . ?
O24 Rh12 N8 97.2(11) . . ?
O23 Rh12 N8 88.0(12) . . ?
C218 Rh12 N8 114.3(7) . . ?
C217 Rh12 N8 153.9(8) . . ?
C219 Rh12 N8 98.0(7) . . ?
C216 Rh12 N8 154.4(10) . . ?
C215 Rh12 N8 116.2(9) . . ?
C59 O1 Rh6 121.9(14) . . ?
C67 O2 Rh6 130.7(19) . . ?
C80 O3 Rh4 129(2) . . ?
C81 O4 Rh4 131.5(15) . . ?
C91 O5 Rh5 128.4(18) . . ?
C84 O6 Rh5 129.8(13) . . ?
C56 O7 Rh3 129.1(15) . . ?
C60 O8 Rh3 109.5(11) . . ?
C77 O9 Rh2 126.7(14) . . ?
C71 O10 Rh2 126.1(13) . . ?
C68 O12 Rh1 128.7(13) . . ?
C155 O13 Rh7 131.2(18) . . ?
C161 O14 Rh7 125.5(16) . . ?
C158 O15 Rh8 133(2) . . ?
C118 C14 C15 114.4(17) . . ?
C118 C14 C18 125.5(17) . . ?
C15 C14 C18 120.0 . . ?
C14 C15 C16 120.0 . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
N2 C16 C15 120.0 . . ?
N2 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C16 N2 C17 120.0 . . ?
C16 N2 Rh4 121.1(11) . . ?
C17 N2 Rh4 118.7(11) . . ?
C18 C17 N2 120.0 . . ?
C18 C17 H17 120.0 . . ?
N2 C17 H17 120.0 . . ?
C17 C18 C14 120.0 . . ?
C17 C18 H18 120.0 . . ?
C14 C18 H18 120.0 . . ?
C195 O17 Rh9 141.7(18) . . ?
C189 O18 Rh9 119.5(16) . . ?
C265 O19 Rh10 126.9(13) . . ?
C184 C19 C175 165(3) . . ?
C270 O20 Rh10 124.9(15) . . ?
C192 O23 Rh12 130(2) . . ?
C186 O24 Rh12 127(2) . . ?
C39 N4 C35 113(2) . . ?
C39 N4 Rh6 123(2) . . ?
C35 N4 Rh6 124(2) . . ?
C51 N5 C52 111(2) . . ?
C51 N5 Rh3 123.5(18) . . ?
C52 N5 Rh3 124.7(17) . . ?
C2 C1 N1 120.0 . . ?
C2 C1 H1 120.0 . . ?
N1 C1 H1 120.0 . . ?
C3 C2 C1 120.0 . . ?
C3 C2 H2 120.0 . . ?
C1 C2 H2 120.0 . . ?
C6 C3 C2 122.7(16) . . ?
C6 C3 C4 117.0(16) . . ?
C2 C3 C4 120.0 . . ?
C3 C4 C5 120.0 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
N1 C5 C4 120.0 . . ?
N1 C5 H5 120.0 . . ?
C4 C5 H5 120.0 . . ?
C5 N1 C1 120.0 . . ?
C5 N1 Rh1 122.6(10) . . ?
C1 N1 Rh1 117.1(10) . . ?
C7 C6 C3 170(3) . . ?
C6 C7 C8 172(3) . . ?
O12 C68 C69 112.3(12) . . ?
O12 C68 C73 127.7(12) . . ?
C69 C68 C73 120.0 . . ?
C142 C69 C68 121.2(10) . . ?
C142 C69 C70 118.6(10) . . ?
C68 C69 C70 120.0 . . ?
C199 C70 C71 121.9(9) . . ?
C199 C70 C69 118.1(10) . . ?
C71 C70 C69 120.0 . . ?
O10 C71 C72 126.7(11) . . ?
O10 C71 C70 113.2(11) . . ?
C72 C71 C70 120.0 . . ?
C73 C72 C71 120.0 . . ?
C73 C72 C77 118.0(10) . . ?
C71 C72 C77 121.9(10) . . ?
C74 C73 C72 117.9(10) . . ?
C74 C73 C68 122.0(10) . . ?
C72 C73 C68 120.0 . . ?
C13 C8 C7 114(3) . . ?
C13 C8 C9 115(3) . . ?
C7 C8 C9 131(2) . . ?
C10 C9 C8 124(2) . . ?
C10 C9 H9 117.8 . . ?
C8 C9 H9 117.8 . . ?
C9 C10 C92 123(2) . . ?
C9 C10 C11 120(2) . . ?
C92 C10 C11 117(2) . . ?
C12 C11 C10 119(2) . . ?
C12 C11 H11 120.5 . . ?
C10 C11 H11 120.5 . . ?
C11 C12 C13 120(2) . . ?
C11 C12 C47 125(3) . . ?
C13 C12 C47 115(2) . . ?
C8 C13 C12 122(3) . . ?
C8 C13 H13 119.2 . . ?
C12 C13 H13 119.2 . . ?
C162 O16 Rh8 127.3(14) . . ?
C271 O21 Rh11 110.2(16) . . ?
C21 C20 N3 120.0 . . ?
C21 C20 H20 120.0 . . ?
N3 C20 H20 120.0 . . ?
C22 C21 C20 120.0 . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C25 C22 C21 120.4(16) . . ?
C25 C22 C23 119.4(16) . . ?
C21 C22 C23 120.0 . . ?
C24 C23 C22 120.0 . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C24 N3 120.0 . . ?
C23 C24 H24 120.0 . . ?
N3 C24 H24 120.0 . . ?
C24 N3 C20 120.0 . . ?
C24 N3 Rh5 122.0(8) . . ?
C20 N3 Rh5 118.0(8) . . ?
C268 O22 Rh11 105.0(13) . . ?
C25 C26 C27 175(3) . . ?
C26 C25 C22 179(3) . . ?
C28 C27 C31 127(3) . . ?
C28 C27 C26 115(2) . . ?
C31 C27 C26 117(3) . . ?
C27 C28 C29 115(2) . . ?
C27 C28 H28 122.6 . . ?
C29 C28 H28 122.6 . . ?
C30 C29 C40 118(3) . . ?
C30 C29 C28 119(2) . . ?
C40 C29 C28 122(2) . . ?
C32 C30 C29 120(3) . . ?
C32 C30 H30 119.8 . . ?
C29 C30 H30 119.8 . . ?
C27 C31 C32 117(3) . . ?
C27 C31 H31 121.3 . . ?
C32 C31 H31 121.3 . . ?
C31 C32 C30 120(3) . . ?
C31 C32 C33 122(3) . . ?
C30 C32 C33 118(3) . . ?
C34 C33 C32 170(3) . . ?
C33 C34 C37 178(3) . . ?
N4 C35 C36 128(3) . . ?
N4 C35 H35 116.1 . . ?
C36 C35 H35 116.1 . . ?
C37 C36 C35 114(3) . . ?
C37 C36 H36 122.8 . . ?
C35 C36 H36 122.8 . . ?
C38 C37 C36 118(3) . . ?
C38 C37 C34 121(3) . . ?
C36 C37 C34 121(3) . . ?
C37 C38 C39 121(3) . . ?
C37 C38 H38 119.7 . . ?
C39 C38 H38 119.7 . . ?
N4 C39 C38 125(3) . . ?
N4 C39 H39 117.3 . . ?
C38 C39 H39 117.3 . . ?
C40 C41 C42 171(3) . . ?
C41 C40 C29 174(3) . . ?
C43 C42 C46 120.0 . . ?
C43 C42 C41 124.3(17) . . ?
C46 C42 C41 115.7(17) . . ?
C44 C43 C42 120.0 . . ?
C44 C43 H43 120.0 . . ?
C42 C43 H43 120.0 . . ?
N6 C44 C43 120.0 . . ?
N6 C44 H44 120.0 . . ?
C43 C44 H44 120.0 . . ?
C44 N6 C45 120.0 . . ?
C44 N6 Rh2 121.0(10) . . ?
C45 N6 Rh2 119.0(10) . . ?
C46 C45 N6 120.0 . . ?
C46 C45 H45 120.0 . . ?
N6 C45 H45 120.0 . . ?
C45 C46 C42 120.0 . . ?
C45 C46 H46 120.0 . . ?
C42 C46 H46 120.0 . . ?
C48 C47 C12 173(3) . . ?
C47 C48 C49 175(3) . . ?
C53 C49 C50 120(3) . . ?
C53 C49 C48 126(3) . . ?
C50 C49 C48 114(3) . . ?
C49 C50 C51 114(3) . . ?
C49 C50 H50 123.0 . . ?
C51 C50 H50 123.0 . . ?
N5 C51 C50 128(3) . . ?
N5 C51 H51 116.1 . . ?
C50 C51 H51 116.1 . . ?
N5 C52 C53 128(3) . . ?
N5 C52 H52 116.2 . . ?
C53 C52 H52 116.2 . . ?
C49 C53 C52 119(3) . . ?
C49 C53 H53 120.7 . . ?
C52 C53 H53 120.7 . . ?
C55 C54 C59 120.0 . . ?
C55 C54 H54 120.0 . . ?
C59 C54 H54 120.0 . . ?
C54 C55 C56 120.0 . . ?
C54 C55 H55 120.0 . . ?
C56 C55 H55 120.0 . . ?
O7 C56 C57 124.0(18) . . ?
O7 C56 C55 115.7(18) . . ?
C57 C56 C55 120.0 . . ?
C56 C57 C58 120.0 . . ?
C56 C57 C60 122.0(16) . . ?
C58 C57 C60 116.6(16) . . ?
C59 C58 C57 120.0 . . ?
C59 C58 C67 119.1(17) . . ?
C57 C58 C67 120.3(17) . . ?
O1 C59 C58 135.3(17) . . ?
O1 C59 C54 104.6(17) . . ?
C58 C59 C54 120.0 . . ?
O8 C60 C57 139.1(17) . . ?
O8 C60 C61 97.6(14) . . ?
C57 C60 C61 123.1(19) . . ?
C62 C61 C66 120.0 . . ?
C62 C61 C60 121.3(17) . . ?
C66 C61 C60 117.3(17) . . ?
C67 C62 C63 120(2) . . ?
C67 C62 C61 119(2) . . ?
C63 C62 C61 120.0 . . ?
C62 C63 C64 120.0 . . ?
C62 C63 H63 120.0 . . ?
C64 C63 H63 120.0 . . ?
C65 C64 C63 120.0 . . ?
C65 C64 H64 120.0 . . ?
C63 C64 H64 120.0 . . ?
C64 C65 C66 120.0 . . ?
C64 C65 H65 120.0 . . ?
C66 C65 H65 120.0 . . ?
C65 C66 C61 120.0 . . ?
C65 C66 H66 120.0 . . ?
C61 C66 H66 120.0 . . ?
O2 C67 C62 118(3) . . ?
O2 C67 C58 122(2) . . ?
C62 C67 C58 119(2) . . ?
O11 C74 C73 129.0(16) . . ?
O11 C74 C75 106.4(15) . . ?
C73 C74 C75 124.6(11) . . ?
C76 C75 C74 117.0(12) . . ?
C76 C75 H75 121.5 . . ?
C74 C75 H75 121.5 . . ?
C75 C76 C77 118.8(12) . . ?
C75 C76 H76 120.6 . . ?
C77 C76 H76 120.6 . . ?
O9 C77 C72 128.1(17) . . ?
O9 C77 C76 108.7(15) . . ?
C72 C77 C76 123.0(12) . . ?
C144 C143 N11 120.0 . . ?
C144 C143 H143 120.0 . . ?
N11 C143 H143 120.0 . . ?
C143 C144 C145 120.0 . . ?
C143 C144 H144 120.0 . . ?
C145 C144 H144 120.0 . . ?
C184 C145 C144 116(2) . . ?
C184 C145 C146 124(2) . . ?
C144 C145 C146 120.0 . . ?
C147 C146 C145 120.0 . . ?
C147 C146 H146 120.0 . . ?
C145 C146 H146 120.0 . . ?
C146 C147 N11 120.0 . . ?
C146 C147 H147 120.0 . . ?
N11 C147 H147 120.0 . . ?
C147 N11 C143 120.0 . . ?
C147 N11 Rh8 121.9(13) . . ?
C143 N11 Rh8 117.7(13) . . ?
C196 C142 C69 122.9(11) . . ?
C196 C142 H142 118.5 . . ?
C69 C142 H142 118.5 . . ?
C79 C78 C91 136(3) . . ?
C79 C78 H78 112.1 . . ?
C91 C78 H78 112.1 . . ?
O3 C80 C79 108(3) . . ?
O3 C80 C82 131(3) . . ?
C79 C80 C82 121(3) . . ?
O4 C81 C82 125.5(17) . . ?
O4 C81 C86 114.4(17) . . ?
C82 C81 C86 120.0 . . ?
C83 C82 C81 120.0 . . ?
C83 C82 C80 122(2) . . ?
C81 C82 C80 118(2) . . ?
C82 C83 C84 120.0 . . ?
C82 C83 C91 121.4(17) . . ?
C84 C83 C91 118.5(17) . . ?
O6 C84 C85 113.6(16) . . ?
O6 C84 C83 126.4(16) . . ?
C85 C84 C83 120.0 . . ?
C86 C85 C84 120.0 . . ?
C86 C85 C90 117.2(17) . . ?
C84 C85 C90 122.6(17) . . ?
C85 C86 C81 120.0 . . ?
C85 C86 C87 114.8(19) . . ?
C81 C86 C87 125.2(19) . . ?
C78 C79 C80 114(3) . . ?
C78 C79 H79 123.0 . . ?
C80 C79 H79 123.0 . . ?
C88 C87 C86 126(3) . . ?
C88 C87 H87 116.8 . . ?
C86 C87 H87 116.8 . . ?
C87 C88 C89 119(3) . . ?
C87 C88 H88 120.7 . . ?
C89 C88 H88 120.7 . . ?
C90 C89 C88 116(3) . . ?
C90 C89 H89 122.0 . . ?
C88 C89 H89 122.0 . . ?
C89 C90 C85 127(3) . . ?
C89 C90 H90 116.7 . . ?
C85 C90 H90 116.7 . . ?
O5 C91 C78 125(3) . . ?
O5 C91 C83 129(2) . . ?
C78 C91 C83 106(2) . . ?
C134 C101 C131 169(4) . . ?
C95 C100 H10A 109.5 . . ?
C95 C100 H10B 109.5 . . ?
H10A C100 H10B 109.5 . . ?
C95 C100 H500 109.5 . . ?
H10A C100 H500 109.5 . . ?
H10B C100 H500 109.5 . . ?
C94 C99 H99A 109.5 . . ?
C94 C99 H99B 109.5 . . ?
H99A C99 H99B 109.5 . . ?
C94 C99 H99C 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
C93 C98 H98A 109.5 . . ?
C93 C98 H98B 109.5 . . ?
H98A C98 H98B 109.5 . . ?
C93 C98 H98C 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C93 C97 C96 108.0 . . ?
C93 C97 C103 123.1(11) . . ?
C96 C97 C103 128.9(11) . . ?
C93 C97 Rh4 77.1(5) . . ?
C96 C97 Rh4 66.0(5) . . ?
C103 C97 Rh4 122.8(16) . . ?
C97 C96 C95 108.0 . . ?
C97 C96 C102 120.3(11) . . ?
C95 C96 C102 129.9(11) . . ?
C97 C96 Rh4 76.7(5) . . ?
C95 C96 Rh4 72.5(5) . . ?
C102 C96 Rh4 128.9(17) . . ?
C94 C95 C96 108.0 . . ?
C94 C95 C100 127.9(11) . . ?
C96 C95 C100 123.9(11) . . ?
C94 C95 Rh4 78.0(5) . . ?
C96 C95 Rh4 69.2(5) . . ?
C100 C95 Rh4 122.6(17) . . ?
C95 C94 C93 108.0 . . ?
C95 C94 C99 123.8(11) . . ?
C93 C94 C99 127.7(11) . . ?
C95 C94 Rh4 65.6(5) . . ?
C93 C94 Rh4 74.7(4) . . ?
C99 C94 Rh4 118.7(16) . . ?
C97 C93 C94 108.0 . . ?
C97 C93 C98 128.4(11) . . ?
C94 C93 C98 120.3(11) . . ?
C97 C93 Rh4 67.7(4) . . ?
C94 C93 Rh4 70.4(4) . . ?
C98 C93 Rh4 111.4(18) . . ?
C104 C108 C107 108.0 . . ?
C104 C108 C327 125.8(6) . . ?
C107 C108 C327 124.8(6) . . ?
C104 C108 Rh7 58.5(5) . . ?
C107 C108 Rh7 74.6(5) . . ?
C327 C108 Rh7 122.0(16) . . ?
C106 C107 C108 108.0 . . ?
C106 C107 C326 120.9(12) . . ?
C108 C107 C326 130.0(12) . . ?
C106 C107 Rh7 59.8(4) . . ?
C108 C107 Rh7 72.3(5) . . ?
C326 C107 Rh7 123.8(17) . . ?
C107 C106 C105 108.0 . . ?
C107 C106 C325 126.3(6) . . ?
C105 C106 C325 125.6(6) . . ?
C107 C106 Rh7 85.8(5) . . ?
C105 C106 Rh7 59.4(6) . . ?
C325 C106 Rh7 120.4(15) . . ?
C104 C105 C106 107.9 . . ?
C104 C105 C324 119.5(12) . . ?
C106 C105 C324 130.3(12) . . ?
C104 C105 Rh7 77.8(6) . . ?
C106 C105 Rh7 80.4(7) . . ?
C324 C105 Rh7 121.7(15) . . ?
C108 C104 C105 108.0 . . ?
C108 C104 C323 119.8(12) . . ?
C105 C104 C323 132.1(12) . . ?
C108 C104 Rh7 86.6(6) . . ?
C105 C104 Rh7 61.2(5) . . ?
C323 C104 Rh7 118.1(15) . . ?
C118 C92 C10 169(3) . . ?
C97 C103 H504 109.5 . . ?
C97 C103 H10D 109.5 . . ?
H504 C103 H10D 109.5 . . ?
C97 C103 H10E 109.5 . . ?
H504 C103 H10E 109.5 . . ?
H10D C103 H10E 109.5 . . ?
C96 C102 H10F 109.5 . . ?
C96 C102 H10G 109.5 . . ?
H10F C102 H10G 109.5 . . ?
C96 C102 H10H 109.5 . . ?
H10F C102 H10H 109.5 . . ?
H10G C102 H10H 109.5 . . ?
C113 C109 C110 108.0 . . ?
C113 C109 C114 129(2) . . ?
C110 C109 C114 123(2) . . ?
C113 C109 Rh3 71.4(6) . . ?
C110 C109 Rh3 69.4(6) . . ?
C114 C109 Rh3 122.5(15) . . ?
C111 C110 C109 108.0 . . ?
C111 C110 C115 126(2) . . ?
C109 C110 C115 126(2) . . ?
C111 C110 Rh3 70.6(6) . . ?
C109 C110 Rh3 71.0(6) . . ?
C115 C110 Rh3 126.1(14) . . ?
C110 C111 C112 108.0 . . ?
C110 C111 C116 127(2) . . ?
C112 C111 C116 125(2) . . ?
C110 C111 Rh3 69.7(6) . . ?
C112 C111 Rh3 71.4(6) . . ?
C116 C111 Rh3 123.9(14) . . ?
C111 C112 C113 108.0 . . ?
C111 C112 C117 127(2) . . ?
C113 C112 C117 125(2) . . ?
C111 C112 Rh3 69.3(6) . . ?
C113 C112 Rh3 70.8(6) . . ?
C117 C112 Rh3 128.0(14) . . ?
C109 C113 C112 108.0 . . ?
C109 C113 C153 127.4(19) . . ?
C112 C113 C153 124.5(19) . . ?
C109 C113 Rh3 69.5(6) . . ?
C112 C113 Rh3 70.3(6) . . ?
C153 C113 Rh3 121.9(14) . . ?
C244 C243 N12 120.0 . . ?
C244 C243 H243 120.0 . . ?
N12 C243 H243 120.0 . . ?
C245 C244 C243 120.0 . . ?
C245 C244 H244 120.0 . . ?
C243 C244 H244 120.0 . . ?
C246 C245 C244 120.0 . . ?
C246 C245 C148 115(3) . . ?
C244 C245 C148 125(3) . . ?
C245 C246 C247 120.0 . . ?
C245 C246 H246 120.0 . . ?
C247 C246 H246 120.0 . . ?
N12 C247 C246 120.0 . . ?
N12 C247 H247 120.0 . . ?
C246 C247 H247 120.0 . . ?
C247 N12 C243 120.0 . . ?
C247 N12 Rh11 115(2) . . ?
C243 N12 Rh11 124(2) . . ?
C215 C219 C218 108.0 . . ?
C215 C219 C332 121.4(12) . . ?
C218 C219 C332 129.8(12) . . ?
C215 C219 Rh12 72.0(3) . . ?
C218 C219 Rh12 67.6(3) . . ?
C332 C219 Rh12 134.0(17) . . ?
C217 C218 C219 108.0 . . ?
C217 C218 C331 127.8(12) . . ?
C219 C218 C331 124.1(12) . . ?
C217 C218 Rh12 69.8(3) . . ?
C219 C218 Rh12 72.2(3) . . ?
C331 C218 Rh12 119.9(15) . . ?
C216 C217 C218 108.0 . . ?
C216 C217 C330 126.1(12) . . ?
C218 C217 C330 125.8(12) . . ?
C216 C217 Rh12 72.4(3) . . ?
C218 C217 Rh12 69.4(3) . . ?
C330 C217 Rh12 126.8(15) . . ?
C217 C216 C215 108.0 . . ?
C217 C216 C329 125.2(12) . . ?
C215 C216 C329 126.6(12) . . ?
C217 C216 Rh12 67.6(3) . . ?
C215 C216 Rh12 71.7(3) . . ?
C329 C216 Rh12 130.0(18) . . ?
C219 C215 C216 108.0 . . ?
C219 C215 C328 130.5(12) . . ?
C216 C215 C328 120.6(11) . . ?
C219 C215 Rh12 68.8(3) . . ?
C216 C215 Rh12 69.2(3) . . ?
C328 C215 Rh12 136.2(13) . . ?
C223 C224 C220 108.0 . . ?
C223 C224 C297 126.5(7) . . ?
C220 C224 C297 124.2(7) . . ?
C223 C224 Rh5 71.9(2) . . ?
C220 C224 Rh5 67.4(3) . . ?
C297 C224 Rh5 115.7(16) . . ?
C224 C223 C222 108.1 . . ?
C224 C223 C296 125.3(6) . . ?
C222 C223 C296 126.5(6) . . ?
C224 C223 Rh5 71.75(19) . . ?
C222 C223 Rh5 67.5(2) . . ?
C296 C223 Rh5 122.9(15) . . ?
C223 C222 C221 108.0 . . ?
C223 C222 C295 125.4(6) . . ?
C221 C222 C295 126.6(6) . . ?
C223 C222 Rh5 75.3(3) . . ?
C221 C222 Rh5 68.0(3) . . ?
C295 C222 Rh5 121(2) . . ?
C220 C221 C222 108.0 . . ?
C220 C221 C294 126.1(6) . . ?
C222 C221 C294 125.5(6) . . ?
C220 C221 Rh5 73.1(2) . . ?
C222 C221 Rh5 73.3(3) . . ?
C294 C221 Rh5 125.1(16) . . ?
C221 C220 C224 108.0 . . ?
C221 C220 C293 126.4(6) . . ?
C224 C220 C293 125.5(6) . . ?
C221 C220 Rh5 68.1(2) . . ?
C224 C220 Rh5 75.4(3) . . ?
C293 C220 Rh5 123.5(19) . . ?
C229 C233 C232 108.0 . . ?
C229 C233 C317 122.3(12) . . ?
C232 C233 C317 129.6(12) . . ?
C229 C233 Rh1 69.5(2) . . ?
C232 C233 Rh1 70.4(2) . . ?
C317 C233 Rh1 127.4(16) . . ?
C231 C232 C233 108.0 . . ?
C231 C232 C316 125.6(12) . . ?
C233 C232 C316 126.3(12) . . ?
C231 C232 Rh1 70.0(2) . . ?
C233 C232 Rh1 69.4(2) . . ?
C316 C232 Rh1 123.3(16) . . ?
C230 C231 C232 108.0 . . ?
C230 C231 C315 126.3(12) . . ?
C232 C231 C315 125.7(12) . . ?
C230 C231 Rh1 69.4(2) . . ?
C232 C231 Rh1 70.0(2) . . ?
C315 C231 Rh1 127.0(14) . . ?
C231 C230 C229 108.0 . . ?
C231 C230 C314 121.7(12) . . ?
C229 C230 C314 130.3(12) . . ?
C231 C230 Rh1 70.4(2) . . ?
C229 C230 Rh1 69.5(2) . . ?
C314 C230 Rh1 125.1(16) . . ?
C233 C229 C230 108.0 . . ?
C233 C229 C313 127.4(12) . . ?
C230 C229 C313 124.2(12) . . ?
C233 C229 Rh1 70.1(2) . . ?
C230 C229 Rh1 70.1(2) . . ?
C313 C229 Rh1 130.8(13) . . ?
C234 C238 C237 108.1 . . ?
C234 C238 C292 128.4(12) . . ?
C237 C238 C292 121.7(12) . . ?
C234 C238 Rh8 70.6(3) . . ?
C237 C238 Rh8 68.7(3) . . ?
C292 C238 Rh8 113.9(13) . . ?
C238 C237 C236 108.0 . . ?
C238 C237 C291 131.0(12) . . ?
C236 C237 C291 121.0(12) . . ?
C238 C237 Rh8 71.3(3) . . ?
C236 C237 Rh8 69.2(2) . . ?
C291 C237 Rh8 123.7(15) . . ?
C237 C236 C235 108.0 . . ?
C237 C236 C290 127.8(11) . . ?
C235 C236 C290 123.8(11) . . ?
C237 C236 Rh8 70.3(2) . . ?
C235 C236 Rh8 70.8(3) . . ?
C290 C236 Rh8 130.3(15) . . ?
C234 C235 C236 108.0 . . ?
C234 C235 C289 122.1(11) . . ?
C236 C235 C289 126.5(11) . . ?
C234 C235 Rh8 71.3(2) . . ?
C236 C235 Rh8 68.8(3) . . ?
C289 C235 Rh8 142.1(16) . . ?
C238 C234 C235 108.0 . . ?
C238 C234 C288 125.0(6) . . ?
C235 C234 C288 127.0(6) . . ?
C238 C234 Rh8 69.9(2) . . ?
C235 C234 Rh8 69.0(2) . . ?
C288 C234 Rh8 127.0(16) . . ?
C130 C129 N7 120.0 . . ?
C130 C129 H129 120.0 . . ?
N7 C129 H129 120.0 . . ?
C131 C130 C129 120.0 . . ?
C131 C130 H130 120.0 . . ?
C129 C130 H130 120.0 . . ?
C130 C131 C132 120.0 . . ?
C130 C131 C101 131.4(18) . . ?
C132 C131 C101 108.5(18) . . ?
C131 C132 C133 120.0 . . ?
C131 C132 H132 120.0 . . ?
C133 C132 H132 120.0 . . ?
N7 C133 C132 120.0 . . ?
N7 C133 H133 120.0 . . ?
C132 C133 H133 120.0 . . ?
C133 N7 C129 120.0 . . ?
C133 N7 Rh7 120.6(13) . . ?
C129 N7 Rh7 119.3(13) . . ?
C112 C117 H11A 109.5 . . ?
C112 C117 H11B 109.5 . . ?
H11A C117 H11B 109.5 . . ?
C112 C117 H11C 109.5 . . ?
H11A C117 H11C 109.5 . . ?
H11B C117 H11C 109.5 . . ?
C111 C116 H11D 109.5 . . ?
C111 C116 H11E 109.5 . . ?
H11D C116 H11E 109.5 . . ?
C111 C116 H11F 109.5 . . ?
H11D C116 H11F 109.5 . . ?
H11E C116 H11F 109.5 . . ?
C110 C115 H11G 109.5 . . ?
C110 C115 H11H 109.5 . . ?
H11G C115 H11H 109.5 . . ?
C110 C115 H11I 109.5 . . ?
H11G C115 H11I 109.5 . . ?
H11H C115 H11I 109.5 . . ?
C109 C114 H11J 109.5 . . ?
C109 C114 H11K 109.5 . . ?
H11J C114 H11K 109.5 . . ?
C109 C114 H11L 109.5 . . ?
H11J C114 H11L 109.5 . . ?
H11K C114 H11L 109.5 . . ?
C121 C128 H12A 109.5 . . ?
C121 C128 H12B 109.5 . . ?
H12A C128 H12B 109.5 . . ?
C121 C128 H12C 109.5 . . ?
H12A C128 H12C 109.5 . . ?
H12B C128 H12C 109.5 . . ?
C122 C127 H12D 109.5 . . ?
C122 C127 H12E 109.5 . . ?
H12D C127 H12E 109.5 . . ?
C122 C127 H12F 109.5 . . ?
H12D C127 H12F 109.5 . . ?
H12E C127 H12F 109.5 . . ?
C123 C126 H12G 109.5 . . ?
C123 C126 H12H 109.5 . . ?
H12G C126 H12H 109.5 . . ?
C123 C126 H12I 109.5 . . ?
H12G C126 H12I 109.5 . . ?
H12H C126 H12I 109.5 . . ?
C119 C125 H12J 109.5 . . ?
C119 C125 H12K 109.5 . . ?
H12J C125 H12K 109.5 . . ?
C119 C125 H12L 109.5 . . ?
H12J C125 H12L 109.5 . . ?
H12K C125 H12L 109.5 . . ?
C120 C124 H12M 109.5 . . ?
C120 C124 H12N 109.5 . . ?
H12M C124 H12N 109.5 . . ?
C120 C124 H12O 109.5 . . ?
H12M C124 H12O 109.5 . . ?
H12N C124 H12O 109.5 . . ?
C126 C123 C119 137(3) . . ?
C126 C123 C122 115(3) . . ?
C119 C123 C122 108.0 . . ?
C126 C123 Rh2 124(3) . . ?
C119 C123 Rh2 71.8(8) . . ?
C122 C123 Rh2 69.2(9) . . ?
C123 C122 C121 108.0 . . ?
C123 C122 C127 130(3) . . ?
C121 C122 C127 121(3) . . ?
C123 C122 Rh2 73.3(10) . . ?
C121 C122 Rh2 69.8(9) . . ?
C127 C122 Rh2 128.3(19) . . ?
C120 C121 C122 108.0 . . ?
C120 C121 C128 122(2) . . ?
C122 C121 C128 130(2) . . ?
C120 C121 Rh2 72.4(9) . . ?
C122 C121 Rh2 71.9(9) . . ?
C128 C121 Rh2 126.9(14) . . ?
C121 C120 C119 108.0 . . ?
C121 C120 C124 125(3) . . ?
C119 C120 C124 127(3) . . ?
C121 C120 Rh2 69.5(9) . . ?
C119 C120 Rh2 73.2(10) . . ?
C124 C120 Rh2 126.2(17) . . ?
C123 C119 C120 108.0 . . ?
C123 C119 C125 131(3) . . ?
C120 C119 C125 121(3) . . ?
C123 C119 Rh2 71.2(8) . . ?
C120 C119 Rh2 69.4(9) . . ?
C125 C119 Rh2 119(2) . . ?
C92 C118 C14 171(3) . . ?
C101 C134 C136 174(4) . . ?
C136 C135 C140 120.0 . . ?
C136 C135 H135 120.0 . . ?
C140 C135 H135 120.0 . . ?
C135 C136 C137 120.0 . . ?
C135 C136 C134 121(2) . . ?
C137 C136 C134 119(2) . . ?
C136 C137 C139 120.0 . . ?
C136 C137 H137 120.0 . . ?
C139 C137 H137 120.0 . . ?
C138 C139 C137 120.0 . . ?
C138 C139 C149 122.0(19) . . ?
C137 C139 C149 118.0(19) . . ?
C139 C138 C140 120.0 . . ?
C139 C138 H138 120.0 . . ?
C140 C138 H138 120.0 . . ?
C141 C140 C138 122(2) . . ?
C141 C140 C135 118(2) . . ?
C138 C140 C135 120.0 . . ?
C148 C141 C140 170(4) . . ?
C141 C148 C245 167(5) . . ?
C171 C154 C169 169(3) . . ?
O13 C155 C156 129(2) . . ?
O13 C155 C160 111(2) . . ?
C156 C155 C160 120.0 . . ?
C155 C156 C157 120.0 . . ?
C155 C156 C161 116(2) . . ?
C157 C156 C161 123(2) . . ?
C158 C157 C156 120.0 . . ?
C158 C157 C162 122(2) . . ?
C156 C157 C162 117(2) . . ?
O15 C158 C157 123(2) . . ?
O15 C158 C159 117(2) . . ?
C157 C158 C159 120.0 . . ?
C160 C159 C158 120.0 . . ?
C160 C159 H159 120.0 . . ?
C158 C159 H159 120.0 . . ?
C159 C160 C155 120.0 . . ?
C159 C160 H160 120.0 . . ?
C155 C160 H160 120.0 . . ?
C113 C153 H15A 109.5 . . ?
C113 C153 H15B 109.5 . . ?
H15A C153 H15B 109.5 . . ?
C113 C153 H15C 109.5 . . ?
H15A C153 H15C 109.5 . . ?
H15B C153 H15C 109.5 . . ?
C206 C152 C149 163(4) . . ?
C188 C151 C166 118.0(13) . . ?
C188 C151 H151 121.0 . . ?
C166 C151 H151 121.0 . . ?
C187 C150 C185 118.5(13) . . ?
C187 C150 H150 120.8 . . ?
C185 C150 H150 120.8 . . ?
C152 C149 C139 162(3) . . ?
O14 C161 C156 134(2) . . ?
O14 C161 C163 107(2) . . ?
C156 C161 C163 119(3) . . ?
C157 C162 C164 120(3) . . ?
C157 C162 O16 122(2) . . ?
C164 C162 O16 118(2) . . ?
N9 C165 C170 120.0 . . ?
N9 C165 H165 120.0 . . ?
C170 C165 H165 120.0 . . ?
C165 N9 C167 120.0 . . ?
C165 N9 Rh9 120.1(12) . . ?
C167 N9 Rh9 119.6(12) . . ?
N9 C167 C168 120.0 . . ?
N9 C167 H167 120.0 . . ?
C168 C167 H167 120.0 . . ?
C169 C168 C167 120.0 . . ?
C169 C168 H168 120.0 . . ?
C167 C168 H168 120.0 . . ?
C168 C169 C170 120.0 . . ?
C168 C169 C154 116.4(18) . . ?
C170 C169 C154 123.6(18) . . ?
C169 C170 C165 120.0 . . ?
C169 C170 H170 120.0 . . ?
C165 C170 H170 120.0 . . ?
C185 C166 C151 120.1(13) . . ?
C185 C166 H166 120.0 . . ?
C151 C166 H166 120.0 . . ?
C263 C164 C163 118.3(12) . . ?
C263 C164 C162 120(3) . . ?
C163 C164 C162 121(3) . . ?
C260 C163 C164 119.3(12) . . ?
C260 C163 C161 121(3) . . ?
C164 C163 C161 119(3) . . ?
C154 C171 C172 175(4) . . ?
C173 C172 C171 117(3) . . ?
C173 C172 C176 119(3) . . ?
C171 C172 C176 124(3) . . ?
C174 C173 C172 120(3) . . ?
C174 C173 H173 120.0 . . ?
C172 C173 H173 120.0 . . ?
C173 C174 C202 124(3) . . ?
C173 C174 C177 123(3) . . ?
C202 C174 C177 113(3) . . ?
C176 C175 C19 116(3) . . ?
C176 C175 C202 125(2) . . ?
C19 C175 C202 120(3) . . ?
C175 C176 C172 116(2) . . ?
C175 C176 H176 122.0 . . ?
C172 C176 H176 122.0 . . ?
C178 C177 C174 175(2) . . ?
C177 C178 C179 177(3) . . ?
C180 C179 C183 120.0 . . ?
C180 C179 C178 123.0(17) . . ?
C183 C179 C178 116.9(17) . . ?
C179 C180 C181 120.0 . . ?
C179 C180 H180 120.0 . . ?
C181 C180 H180 120.0 . . ?
C180 C181 N10 120.0 . . ?
C180 C181 H181 120.0 . . ?
N10 C181 H181 120.0 . . ?
C182 N10 C181 120.0 . . ?
C182 N10 Rh10 119.1(11) . . ?
C181 N10 Rh10 120.9(11) . . ?
N10 C182 C183 120.0 . . ?
N10 C182 H182 120.0 . . ?
C183 C182 H182 120.0 . . ?
C182 C183 C179 120.0 . . ?
C182 C183 H183 120.0 . . ?
C179 C183 H183 120.0 . . ?
C187 C186 C191 120.0 . . ?
C187 C186 O24 116.0(18) . . ?
C191 C186 O24 123.5(18) . . ?
C150 C187 C186 120.1(12) . . ?
C150 C187 C188 119.9(12) . . ?
C186 C187 C188 120.0 . . ?
C151 C188 C189 118.3(12) . . ?
C151 C188 C187 121.4(12) . . ?
C189 C188 C187 120.0 . . ?
C190 C189 C188 120.0 . . ?
C190 C189 O18 139.2(16) . . ?
C188 C189 O18 100.8(16) . . ?
C195 C190 C189 119.0(12) . . ?
C195 C190 C191 121.0(12) . . ?
C189 C190 C191 120.0 . . ?
C190 C191 C186 120.0 . . ?
C190 C191 C192 121.0(12) . . ?
C186 C191 C192 118.8(12) . . ?
C166 C185 C150 120.7(13) . . ?
C166 C185 H185 119.6 . . ?
C150 C185 H185 119.6 . . ?
C19 C184 C145 172(3) . . ?
C193 C192 C191 117.8(12) . . ?
C193 C192 O23 119(2) . . ?
C191 C192 O23 123(2) . . ?
C194 C193 C192 120.9(12) . . ?
C194 C193 H193 119.5 . . ?
C192 C193 H193 119.5 . . ?
C193 C194 C195 121.1(13) . . ?
C193 C194 H194 119.4 . . ?
C195 C194 H194 119.4 . . ?
C190 C195 C194 117.8(12) . . ?
C190 C195 O17 117.4(19) . . ?
C194 C195 O17 124.3(19) . . ?
C142 C196 C198 118.2(11) . . ?
C142 C196 H196 120.9 . . ?
C198 C196 H196 120.9 . . ?
C198 C199 C70 122.9(11) . . ?
C198 C199 H199 118.5 . . ?
C70 C199 H199 118.5 . . ?
C199 C198 C196 118.9(11) . . ?
C199 C198 H198 120.6 . . ?
C196 C198 H198 120.6 . . ?
C174 C202 C175 115(2) . . ?
C174 C202 H202 122.3 . . ?
C175 C202 H202 122.3 . . ?
C206 C205 C209 120.0 . . ?
C206 C205 H205 120.0 . . ?
C209 C205 H205 120.0 . . ?
C152 C206 C207 109(3) . . ?
C152 C206 C205 131(3) . . ?
C207 C206 C205 120.0 . . ?
C206 C207 C208 120.0 . . ?
C206 C207 H207 120.0 . . ?
C208 C207 H207 120.0 . . ?
C207 C208 N8 120.0 . . ?
C207 C208 H208 120.0 . . ?
N8 C208 H208 120.0 . . ?
C209 N8 C208 120.0 . . ?
C209 N8 Rh12 110(2) . . ?
C208 N8 Rh12 130(2) . . ?
N8 C209 C205 120.0 . . ?
N8 C209 H209 120.0 . . ?
C205 C209 H209 120.0 . . ?
C260 C261 C262 118.6(13) . . ?
C260 C261 H261 120.7 . . ?
C262 C261 H261 120.7 . . ?
C163 C260 C261 121.1(13) . . ?
C163 C260 H260 119.5 . . ?
C261 C260 H260 119.5 . . ?
C256 C257 C253 108.0 . . ?
C256 C257 C302 127.5(12) . . ?
C253 C257 C302 124.4(11) . . ?
C256 C257 Rh11 72.2(4) . . ?
C253 C257 Rh11 73.9(4) . . ?
C302 C257 Rh11 122.5(17) . . ?
C255 C256 C257 108.0 . . ?
C255 C256 C301 127.4(12) . . ?
C257 C256 C301 124.4(12) . . ?
C255 C256 Rh11 75.8(5) . . ?
C257 C256 Rh11 67.8(3) . . ?
C301 C256 Rh11 125.3(19) . . ?
C256 C255 C254 108.0 . . ?
C256 C255 C300 125.1(13) . . ?
C254 C255 C300 126.4(13) . . ?
C256 C255 Rh11 66.1(4) . . ?
C254 C255 Rh11 72.4(3) . . ?
C300 C255 Rh11 133.0(16) . . ?
C253 C254 C255 108.0 . . ?
C253 C254 C299 127.0(12) . . ?
C255 C254 C299 125.0(12) . . ?
C253 C254 Rh11 67.0(3) . . ?
C255 C254 Rh11 70.7(3) . . ?
C299 C254 Rh11 127.2(19) . . ?
C254 C253 C257 108.0 . . ?
C254 C253 C298 122.5(11) . . ?
C257 C253 C298 129.3(11) . . ?
C254 C253 Rh11 75.5(5) . . ?
C257 C253 Rh11 66.6(4) . . ?
C298 C253 Rh11 120.7(16) . . ?
C248 C252 C251 108.0 . . ?
C248 C252 C322 124.7(11) . . ?
C251 C252 C322 127.2(11) . . ?
C248 C252 Rh10 68.6(5) . . ?
C251 C252 Rh10 70.8(3) . . ?
C322 C252 Rh10 125.2(14) . . ?
C252 C251 C250 108.0 . . ?
C252 C251 C321 123.3(11) . . ?
C250 C251 C321 128.7(11) . . ?
C252 C251 Rh10 70.0(3) . . ?
C250 C251 Rh10 68.9(4) . . ?
C321 C251 Rh10 125.4(16) . . ?
C251 C250 C249 108.0 . . ?
C251 C250 C320 124.2(12) . . ?
C249 C250 C320 127.8(12) . . ?
C251 C250 Rh10 71.7(4) . . ?
C249 C250 Rh10 68.7(5) . . ?
C320 C250 Rh10 127.1(15) . . ?
C248 C249 C250 108.0 . . ?
C248 C249 C319 128.5(11) . . ?
C250 C249 C319 122.1(11) . . ?
C248 C249 Rh10 70.5(3) . . ?
C250 C249 Rh10 71.2(3) . . ?
C319 C249 Rh10 134.2(13) . . ?
C252 C248 C249 108.0 . . ?
C252 C248 C318 127.3(11) . . ?
C249 C248 C318 123.8(11) . . ?
C252 C248 Rh10 71.8(4) . . ?
C249 C248 Rh10 69.2(3) . . ?
C318 C248 Rh10 132.8(13) . . ?
C263 C262 C261 119.0(13) . . ?
C263 C262 H262 120.5 . . ?
C261 C262 H262 120.5 . . ?
C164 C263 C262 121.5(13) . . ?
C164 C263 H263 119.2 . . ?
C262 C263 H263 119.2 . . ?
C270 C264 C265 119.1(7) . . ?
C270 C264 C269 120.9(7) . . ?
C265 C264 C269 120.0 . . ?
O19 C265 C264 125.8(13) . . ?
O19 C265 C266 108.8(13) . . ?
C264 C265 C266 120.0 . . ?
C274 C266 C265 120.5(11) . . ?
C274 C266 C267 119.3(11) . . ?
C265 C266 C267 120.0 . . ?
C277 C267 C268 118.0(11) . . ?
C277 C267 C266 121.9(11) . . ?
C268 C267 C266 120.0 . . ?
C269 C268 C267 120.0 . . ?
C269 C268 O22 141.3(14) . . ?
C267 C268 O22 96.4(13) . . ?
C268 C269 C264 120.0 . . ?
C268 C269 C271 119.6(7) . . ?
C264 C269 C271 120.4(7) . . ?
C264 C270 C273 118.4(7) . . ?
C264 C270 O20 131.6(17) . . ?
C273 C270 O20 110.0(16) . . ?
C272 C271 C269 116.9(7) . . ?
C272 C271 O21 106.3(18) . . ?
C269 C271 O21 136.0(18) . . ?
C273 C272 C271 121.9(8) . . ?
C273 C272 H272 119.1 . . ?
C271 C272 H272 119.1 . . ?
C272 C273 C270 119.6(8) . . ?
C272 C273 H273 120.2 . . ?
C270 C273 H273 120.2 . . ?
C266 C274 C275 118.4(12) . . ?
C266 C274 H274 120.8 . . ?
C275 C274 H274 120.8 . . ?
C276 C275 C274 122.1(12) . . ?
C276 C275 H275 118.9 . . ?
C274 C275 H275 118.9 . . ?
C267 C277 C276 118.9(12) . . ?
C267 C277 H277 120.6 . . ?
C276 C277 H277 120.6 . . ?
C303 C278 C282 126.8(11) . . ?
C303 C278 C279 121.9(11) . . ?
C282 C278 C279 108.0 . . ?
C303 C278 Rh6 140.4(12) . . ?
C282 C278 Rh6 74.8(3) . . ?
C279 C278 Rh6 65.9(3) . . ?
C304 C279 C280 127.9(11) . . ?
C304 C279 C278 120.1(11) . . ?
C280 C279 C278 108.0 . . ?
C304 C279 Rh6 141.4(12) . . ?
C280 C279 Rh6 74.7(3) . . ?
C278 C279 Rh6 66.3(3) . . ?
C305 C280 C279 121.7(10) . . ?
C305 C280 C281 130.0(10) . . ?
C279 C280 C281 108.0 . . ?
C305 C280 Rh6 135.1(11) . . ?
C279 C280 Rh6 60.5(2) . . ?
C281 C280 Rh6 73.5(2) . . ?
C306 C281 C282 129.2(10) . . ?
C306 C281 C280 122.7(10) . . ?
C282 C281 C280 108.0 . . ?
C306 C281 Rh6 132.0(12) . . ?
C282 C281 Rh6 65.3(2) . . ?
C280 C281 Rh6 65.0(2) . . ?
C307 C282 C281 124.0(11) . . ?
C307 C282 C278 127.8(11) . . ?
C281 C282 C278 108.0 . . ?
C307 C282 Rh6 136.4(13) . . ?
C281 C282 Rh6 73.3(2) . . ?
C278 C282 Rh6 60.5(2) . . ?
C287 C283 C284 108.0 . . ?
C287 C283 C308 113(2) . . ?
C284 C283 C308 138(2) . . ?
C287 C283 Rh9 63.5(4) . . ?
C284 C283 Rh9 88.2(4) . . ?
C308 C283 Rh9 118.5(14) . . ?
C283 C284 C285 108.0 . . ?
C283 C284 C309 99.9(14) . . ?
C285 C284 C309 151.1(14) . . ?
C283 C284 Rh9 54.9(3) . . ?
C285 C284 Rh9 78.7(3) . . ?
C309 C284 Rh9 125.0(13) . . ?
C286 C285 C284 108.0 . . ?
C286 C285 C310 121(2) . . ?
C284 C285 C310 129(2) . . ?
C286 C285 Rh9 61.3(3) . . ?
C284 C285 Rh9 67.6(3) . . ?
C310 C285 Rh9 146.6(16) . . ?
C285 C286 C287 108.0 . . ?
C285 C286 C311 137.5(15) . . ?
C287 C286 C311 114.5(15) . . ?
C285 C286 Rh9 84.5(4) . . ?
C287 C286 Rh9 55.1(3) . . ?
C311 C286 Rh9 119.3(15) . . ?
C283 C287 C286 108.0 . . ?
C283 C287 C312 111.2(18) . . ?
C286 C287 C312 140.4(17) . . ?
C283 C287 Rh9 72.2(4) . . ?
C286 C287 Rh9 85.1(4) . . ?
C312 C287 Rh9 111.7(14) . . ?
C275 C276 C277 119.1(12) . . ?
C275 C276 H276 120.5 . . ?
C277 C276 H276 120.5 . . ?
C237 C291 H29A 109.5 . . ?
C237 C291 H29B 109.5 . . ?
H29A C291 H29B 109.5 . . ?
C237 C291 H29C 109.5 . . ?
H29A C291 H29C 109.5 . . ?
H29B C291 H29C 109.5 . . ?
C238 C292 H29D 109.5 . . ?
C238 C292 H29E 109.5 . . ?
H29D C292 H29E 109.5 . . ?
C238 C292 H29F 109.5 . . ?
H29D C292 H29F 109.5 . . ?
H29E C292 H29F 109.5 . . ?
C236 C290 H29G 109.5 . . ?
C236 C290 H29H 109.5 . . ?
H29G C290 H29H 109.5 . . ?
C236 C290 H29I 109.5 . . ?
H29G C290 H29I 109.5 . . ?
H29H C290 H29I 109.5 . . ?
C235 C289 H28A 109.5 . . ?
C235 C289 H28B 109.5 . . ?
H28A C289 H28B 109.5 . . ?
C235 C289 H28C 109.5 . . ?
H28A C289 H28C 109.5 . . ?
H28B C289 H28C 109.5 . . ?
C234 C288 H28D 109.5 . . ?
C234 C288 H28E 109.5 . . ?
H28D C288 H28E 109.5 . . ?
C234 C288 H28F 109.5 . . ?
H28D C288 H28F 109.5 . . ?
H28E C288 H28F 109.5 . . ?
C222 C295 H29J 109.5 . . ?
C222 C295 H29K 109.5 . . ?
H29J C295 H29K 109.5 . . ?
C222 C295 H29L 109.5 . . ?
H29J C295 H29L 109.5 . . ?
H29K C295 H29L 109.5 . . ?
C221 C294 H29M 109.5 . . ?
C221 C294 H29N 109.5 . . ?
H29M C294 H29N 109.5 . . ?
C221 C294 H29O 109.5 . . ?
H29M C294 H29O 109.5 . . ?
H29N C294 H29O 109.5 . . ?
C224 C297 H29P 109.5 . . ?
C224 C297 H29Q 109.5 . . ?
H29P C297 H29Q 109.5 . . ?
C224 C297 H29R 109.5 . . ?
H29P C297 H29R 109.5 . . ?
H29Q C297 H29R 109.5 . . ?
C223 C296 H29S 109.5 . . ?
C223 C296 H29T 109.5 . . ?
H29S C296 H29T 109.5 . . ?
C223 C296 H29U 109.5 . . ?
H29S C296 H29U 109.5 . . ?
H29T C296 H29U 109.5 . . ?
C253 C298 H29V 109.5 . . ?
C253 C298 H29W 109.5 . . ?
H29V C298 H29W 109.5 . . ?
C253 C298 H29X 109.5 . . ?
H29V C298 H29X 109.5 . . ?
H29W C298 H29X 109.5 . . ?
C255 C300 H30A 109.5 . . ?
C255 C300 H30B 109.5 . . ?
H30A C300 H30B 109.5 . . ?
C255 C300 H30C 109.5 . . ?
H30A C300 H30C 109.5 . . ?
H30B C300 H30C 109.5 . . ?
C254 C299 H29Y 109.5 . . ?
C254 C299 H29Z 109.5 . . ?
H29Y C299 H29Z 109.5 . . ?
C254 C299 H210 109.5 . . ?
H29Y C299 H210 109.5 . . ?
H29Z C299 H210 109.5 . . ?
C256 C301 H30D 109.5 . . ?
C256 C301 H30E 109.5 . . ?
H30D C301 H30E 109.5 . . ?
C256 C301 H30F 109.5 . . ?
H30D C301 H30F 109.5 . . ?
H30E C301 H30F 109.5 . . ?
C257 C302 H30G 109.5 . . ?
C257 C302 H30H 109.5 . . ?
H30G C302 H30H 109.5 . . ?
C257 C302 H30I 109.5 . . ?
H30G C302 H30I 109.5 . . ?
H30H C302 H30I 109.5 . . ?
C283 C308 H30J 109.5 . . ?
C283 C308 H30K 109.5 . . ?
H30J C308 H30K 109.5 . . ?
C283 C308 H30L 109.5 . . ?
H30J C308 H30L 109.5 . . ?
H30K C308 H30L 109.5 . . ?
C282 C307 H30M 109.5 . . ?
C282 C307 H30N 109.5 . . ?
H30M C307 H30N 109.5 . . ?
C282 C307 H30O 109.5 . . ?
H30M C307 H30O 109.5 . . ?
H30N C307 H30O 109.5 . . ?
C281 C306 H30P 109.5 . . ?
C281 C306 H501 109.5 . . ?
H30P C306 H501 109.5 . . ?
C281 C306 H502 109.5 . . ?
H30P C306 H502 109.5 . . ?
H501 C306 H502 109.5 . . ?
C280 C305 H505 109.5 . . ?
C280 C305 H506 109.5 . . ?
H505 C305 H506 109.5 . . ?
C280 C305 H30S 109.5 . . ?
H505 C305 H30S 109.5 . . ?
H506 C305 H30S 109.5 . . ?
C279 C304 H30T 109.5 . . ?
C279 C304 H30U 109.5 . . ?
H30T C304 H30U 109.5 . . ?
C279 C304 H30V 109.5 . . ?
H30T C304 H30V 109.5 . . ?
H30U C304 H30V 109.5 . . ?
C278 C303 H30W 109.5 . . ?
C278 C303 H508 109.5 . . ?
H30W C303 H508 109.5 . . ?
C278 C303 H507 109.5 . . ?
H30W C303 H507 109.5 . . ?
H508 C303 H507 109.5 . . ?
C284 C309 H30X 109.5 . . ?
C284 C309 H30Y 109.5 . . ?
H30X C309 H30Y 109.5 . . ?
C284 C309 H30Z 109.5 . . ?
H30X C309 H30Z 109.5 . . ?
H30Y C309 H30Z 109.5 . . ?
C285 C310 H31G 109.5 . . ?
C285 C310 H31H 109.5 . . ?
H31G C310 H31H 109.5 . . ?
C285 C310 H31I 109.5 . . ?
H31G C310 H31I 109.5 . . ?
H31H C310 H31I 109.5 . . ?
C286 C311 H31A 109.5 . . ?
C286 C311 H31B 109.5 . . ?
H31A C311 H31B 109.5 . . ?
C286 C311 H31C 109.5 . . ?
H31A C311 H31C 109.5 . . ?
H31B C311 H31C 109.5 . . ?
C287 C312 H31D 109.5 . . ?
C287 C312 H31E 109.5 . . ?
H31D C312 H31E 109.5 . . ?
C287 C312 H31F 109.5 . . ?
H31D C312 H31F 109.5 . . ?
H31E C312 H31F 109.5 . . ?
C230 C314 H31J 109.5 . . ?
C230 C314 H31K 109.5 . . ?
H31J C314 H31K 109.5 . . ?
C230 C314 H31L 109.5 . . ?
H31J C314 H31L 109.5 . . ?
H31K C314 H31L 109.5 . . ?
C229 C313 H31M 109.5 . . ?
C229 C313 H31N 109.5 . . ?
H31M C313 H31N 109.5 . . ?
C229 C313 H31O 109.5 . . ?
H31M C313 H31O 109.5 . . ?
H31N C313 H31O 109.5 . . ?
C232 C316 H31P 109.5 . . ?
C232 C316 H31Q 109.5 . . ?
H31P C316 H31Q 109.5 . . ?
C232 C316 H31R 109.5 . . ?
H31P C316 H31R 109.5 . . ?
H31Q C316 H31R 109.5 . . ?
C231 C315 H31S 109.5 . . ?
C231 C315 H31T 109.5 . . ?
H31S C315 H31T 109.5 . . ?
C231 C315 H31U 109.5 . . ?
H31S C315 H31U 109.5 . . ?
H31T C315 H31U 109.5 . . ?
C248 C318 H31V 109.5 . . ?
C248 C318 H31W 109.5 . . ?
H31V C318 H31W 109.5 . . ?
C248 C318 H31X 109.5 . . ?
H31V C318 H31X 109.5 . . ?
H31W C318 H31X 109.5 . . ?
C233 C317 H31Y 109.5 . . ?
C233 C317 H31Z 109.5 . . ?
H31Y C317 H31Z 109.5 . . ?
C233 C317 H310 109.5 . . ?
H31Y C317 H310 109.5 . . ?
H31Z C317 H310 109.5 . . ?
C249 C319 H311 109.5 . . ?
C249 C319 H312 109.5 . . ?
H311 C319 H312 109.5 . . ?
C249 C319 H313 109.5 . . ?
H311 C319 H313 109.5 . . ?
H312 C319 H313 109.5 . . ?
C250 C320 H32A 109.5 . . ?
C250 C320 H32B 109.5 . . ?
H32A C320 H32B 109.5 . . ?
C250 C320 H32C 109.5 . . ?
H32A C320 H32C 109.5 . . ?
H32B C320 H32C 109.5 . . ?
C251 C321 H32D 109.5 . . ?
C251 C321 H32E 109.5 . . ?
H32D C321 H32E 109.5 . . ?
C251 C321 H32F 109.5 . . ?
H32D C321 H32F 109.5 . . ?
H32E C321 H32F 109.5 . . ?
C252 C322 H32G 109.5 . . ?
C252 C322 H32H 109.5 . . ?
H32G C322 H32H 109.5 . . ?
C252 C322 H32I 109.5 . . ?
H32G C322 H32I 109.5 . . ?
H32H C322 H32I 109.5 . . ?
C105 C324 H32J 109.5 . . ?
C105 C324 H32K 109.5 . . ?
H32J C324 H32K 109.5 . . ?
C105 C324 H32L 109.5 . . ?
H32J C324 H32L 109.5 . . ?
H32K C324 H32L 109.5 . . ?
C104 C323 H32M 109.5 . . ?
C104 C323 H32N 109.5 . . ?
H32M C323 H32N 109.5 . . ?
C104 C323 H32O 109.5 . . ?
H32M C323 H32O 109.5 . . ?
H32N C323 H32O 109.5 . . ?
C106 C325 H32P 109.5 . . ?
C106 C325 H32Q 109.5 . . ?
H32P C325 H32Q 109.5 . . ?
C106 C325 H32R 109.5 . . ?
H32P C325 H32R 109.5 . . ?
H32Q C325 H32R 109.5 . . ?
C108 C327 H32S 109.5 . . ?
C108 C327 H32T 109.5 . . ?
H32S C327 H32T 109.5 . . ?
C108 C327 H32U 109.5 . . ?
H32S C327 H32U 109.5 . . ?
H32T C327 H32U 109.5 . . ?
C215 C328 H32V 109.5 . . ?
C215 C328 H32W 109.5 . . ?
H32V C328 H32W 109.5 . . ?
C215 C328 H32X 109.5 . . ?
H32V C328 H32X 109.5 . . ?
H32W C328 H32X 109.5 . . ?
C216 C329 H32Y 109.5 . . ?
C216 C329 H32Z 109.5 . . ?
H32Y C329 H32Z 109.5 . . ?
C216 C329 H314 109.5 . . ?
H32Y C329 H314 109.5 . . ?
H32Z C329 H314 109.5 . . ?
C217 C330 H33A 109.5 . . ?
C217 C330 H33B 109.5 . . ?
H33A C330 H33B 109.5 . . ?
C217 C330 H33C 109.5 . . ?
H33A C330 H33C 109.5 . . ?
H33B C330 H33C 109.5 . . ?
C218 C331 H33D 109.5 . . ?
C218 C331 H33E 109.5 . . ?
H33D C331 H33E 109.5 . . ?
C218 C331 H33F 109.5 . . ?
H33D C331 H33F 109.5 . . ?
H33E C331 H33F 109.5 . . ?
C219 C332 H33G 109.5 . . ?
C219 C332 H33H 109.5 . . ?
H33G C332 H33H 109.5 . . ?
C219 C332 H33I 109.5 . . ?
H33G C332 H33I 109.5 . . ?
H33H C332 H33I 109.5 . . ?
C107 C326 H315 109.5 . . ?
C107 C326 H316 109.5 . . ?
H315 C326 H316 109.5 . . ?
C107 C326 H317 109.5 . . ?
H315 C326 H317 109.5 . . ?
H316 C326 H317 109.5 . . ?
C220 C293 H211 109.5 . . ?
C220 C293 H212 109.5 . . ?
H211 C293 H212 109.5 . . ?
C220 C293 H213 109.5 . . ?
H211 C293 H213 109.5 . . ?
H212 C293 H213 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 C229 2.012(6) . ?
Rh1 C230 2.020(6) . ?
Rh1 C233 2.020(7) . ?
Rh1 C231 2.032(6) . ?
Rh1 C232 2.033(6) . ?
Rh1 O12 2.082(18) . ?
Rh1 O11 2.096(14) . ?
Rh1 N1 2.171(12) . ?
Rh2 O9 2.03(2) . ?
Rh2 C121 2.07(2) . ?
Rh2 O10 2.082(15) . ?
Rh2 C122 2.09(2) . ?
Rh2 C120 2.10(2) . ?
Rh2 N6 2.118(11) . ?
Rh2 C123 2.15(2) . ?
Rh2 C119 2.15(2) . ?
Rh3 O7 2.047(16) . ?
Rh3 N5 2.059(17) . ?
Rh3 C110 2.090(15) . ?
Rh3 C111 2.101(15) . ?
Rh3 C109 2.111(16) . ?
Rh3 C112 2.129(16) . ?
Rh3 C113 2.135(16) . ?
Rh3 O8 2.295(14) . ?
Rh4 O4 2.048(17) . ?
Rh4 C96 2.086(15) . ?
Rh4 O3 2.10(2) . ?
Rh4 C95 2.128(15) . ?
Rh4 N2 2.130(12) . ?
Rh4 C97 2.221(13) . ?
Rh4 C94 2.285(15) . ?
Rh4 C93 2.340(15) . ?
Rh5 C221 2.054(8) . ?
Rh5 O5 2.057(18) . ?
Rh5 O6 2.082(15) . ?
Rh5 N3 2.111(10) . ?
Rh5 C220 2.118(8) . ?
Rh5 C222 2.122(8) . ?
Rh5 C224 2.220(9) . ?
Rh5 C223 2.222(10) . ?
Rh6 C279 1.861(7) . ?
Rh6 C278 1.866(7) . ?
Rh6 C280 2.063(7) . ?
Rh6 C282 2.070(7) . ?
Rh6 N4 2.09(2) . ?
Rh6 O1 2.140(19) . ?
Rh6 O2 2.156(17) . ?
Rh6 C281 2.183(7) . ?
Rh7 C105 1.788(14) . ?
Rh7 C104 1.993(16) . ?
Rh7 C106 2.047(14) . ?
Rh7 O13 2.07(2) . ?
Rh7 N7 2.098(16) . ?
Rh7 O14 2.124(19) . ?
Rh7 C108 2.334(17) . ?
Rh7 C107 2.362(17) . ?
Rh8 O16 1.83(2) . ?
Rh8 O15 1.91(2) . ?
Rh8 C236 1.997(6) . ?
Rh8 C237 2.011(7) . ?
Rh8 C235 2.023(7) . ?
Rh8 C238 2.045(7) . ?
Rh8 C234 2.053(8) . ?
Rh8 N11 2.169(14) . ?
Rh9 C287 1.648(11) . ?
Rh9 C283 1.753(8) . ?
Rh9 C286 2.001(8) . ?
Rh9 O17 2.03(2) . ?
Rh9 N9 2.045(14) . ?
Rh9 C284 2.141(7) . ?
Rh9 O18 2.17(3) . ?
Rh9 C285 2.271(7) . ?
Rh10 C249 1.984(13) . ?
Rh10 C248 2.000(12) . ?
Rh10 C250 2.015(8) . ?
Rh10 C252 2.040(7) . ?
Rh10 C251 2.050(7) . ?
Rh10 N10 2.107(11) . ?
Rh10 O20 2.120(15) . ?
Rh10 O19 2.157(13) . ?
Rh11 C257 1.979(7) . ?
Rh11 C256 2.035(8) . ?
Rh11 C253 2.072(9) . ?
Rh11 N12 2.106(14) . ?
Rh11 O22 2.155(18) . ?
Rh11 C255 2.157(13) . ?
Rh11 C254 2.180(13) . ?
Rh11 O21 2.180(19) . ?
O11 C74 1.378(10) . ?
Rh12 O24 1.75(3) . ?
Rh12 O23 1.85(3) . ?
Rh12 C218 1.986(7) . ?
Rh12 C217 1.991(6) . ?
Rh12 C219 2.045(10) . ?
Rh12 C216 2.053(8) . ?
Rh12 C215 2.086(10) . ?
Rh12 N8 2.129(18) . ?
O1 C59 1.269(18) . ?
O2 C67 1.26(3) . ?
O3 C80 1.21(3) . ?
O4 C81 1.322(19) . ?
O5 C91 1.21(3) . ?
O6 C84 1.294(18) . ?
O7 C56 1.243(18) . ?
O8 C60 1.322(18) . ?
O9 C77 1.36(2) . ?
O10 C71 1.34(2) . ?
O12 C68 1.324(19) . ?
O13 C155 1.30(2) . ?
O14 C161 1.29(3) . ?
O15 C158 1.38(3) . ?
C14 C118 1.366(10) . ?
C14 C15 1.3900 . ?
C14 C18 1.3900 . ?
C15 C16 1.3900 . ?
C15 H15 0.9500 . ?
C16 N2 1.3900 . ?
C16 H16 0.9500 . ?
N2 C17 1.3900 . ?
C17 C18 1.3900 . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
O17 C195 1.46(3) . ?
O18 C189 1.44(3) . ?
O19 C265 1.384(9) . ?
C19 C184 1.328(10) . ?
C19 C175 1.378(10) . ?
O20 C270 1.403(10) . ?
O23 C192 1.408(10) . ?
O24 C186 1.55(3) . ?
N4 C39 1.30(3) . ?
N4 C35 1.31(3) . ?
N5 C51 1.30(3) . ?
N5 C52 1.31(3) . ?
C1 C2 1.3900 . ?
C1 N1 1.3900 . ?
C1 H1 0.9500 . ?
C2 C3 1.3900 . ?
C2 H2 0.9500 . ?
C3 C6 1.36(3) . ?
C3 C4 1.3900 . ?
C4 C5 1.3900 . ?
C4 H4 0.9500 . ?
C5 N1 1.3900 . ?
C5 H5 0.9500 . ?
C6 C7 1.20(3) . ?
C7 C8 1.42(3) . ?
C68 C69 1.3900 . ?
C68 C73 1.3900 . ?
C69 C142 1.389(9) . ?
C69 C70 1.3900 . ?
C70 C199 1.390(9) . ?
C70 C71 1.3900 . ?
C71 C72 1.3900 . ?
C72 C73 1.3900 . ?
C72 C77 1.393(9) . ?
C73 C74 1.382(9) . ?
C8 C13 1.34(3) . ?
C8 C9 1.44(3) . ?
C9 C10 1.30(3) . ?
C9 H9 0.9500 . ?
C10 C92 1.380(10) . ?
C10 C11 1.40(3) . ?
C11 C12 1.35(3) . ?
C11 H11 0.9500 . ?
C12 C13 1.44(3) . ?
C12 C47 1.50(3) . ?
C13 H13 0.9500 . ?
O16 C162 1.60(3) . ?
O21 C271 1.438(10) . ?
C20 C21 1.3900 . ?
C20 N3 1.3900 . ?
C20 H20 0.9500 . ?
C21 C22 1.3900 . ?
C21 H21 0.9500 . ?
C22 C25 1.35(3) . ?
C22 C23 1.3900 . ?
C23 C24 1.3900 . ?
C23 H23 0.9500 . ?
C24 N3 1.3900 . ?
C24 H24 0.9500 . ?
O22 C268 1.397(10) . ?
C26 C25 1.323(10) . ?
C26 C27 1.50(3) . ?
C27 C28 1.31(3) . ?
C27 C31 1.32(3) . ?
C28 C29 1.41(3) . ?
C28 H28 0.9500 . ?
C29 C30 1.36(3) . ?
C29 C40 1.380(10) . ?
C30 C32 1.36(3) . ?
C30 H30 0.9500 . ?
C31 C32 1.35(3) . ?
C31 H31 0.9500 . ?
C32 C33 1.47(3) . ?
C33 C34 1.22(3) . ?
C34 C37 1.42(3) . ?
C35 C36 1.43(3) . ?
C35 H35 0.9500 . ?
C36 C37 1.42(3) . ?
C36 H36 0.9500 . ?
C37 C38 1.32(3) . ?
C38 C39 1.40(3) . ?
C38 H38 0.9500 . ?
C39 H39 0.9500 . ?
C41 C40 1.23(3) . ?
C41 C42 1.44(3) . ?
C42 C43 1.3900 . ?
C42 C46 1.3900 . ?
C43 C44 1.3900 . ?
C43 H43 0.9500 . ?
C44 N6 1.3900 . ?
C44 H44 0.9500 . ?
N6 C45 1.3900 . ?
C45 C46 1.3900 . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C47 C48 1.15(3) . ?
C48 C49 1.48(3) . ?
C49 C53 1.32(3) . ?
C49 C50 1.37(3) . ?
C50 C51 1.42(3) . ?
C50 H50 0.9500 . ?
C51 H51 0.9500 . ?
C52 C53 1.35(3) . ?
C52 H52 0.9500 . ?
C53 H53 0.9500 . ?
C54 C55 1.3900 . ?
C54 C59 1.3900 . ?
C54 H54 0.9500 . ?
C55 C56 1.3900 . ?
C55 H55 0.9500 . ?
C56 C57 1.3900 . ?
C57 C58 1.3900 . ?
C57 C60 1.416(9) . ?
C58 C59 1.3900 . ?
C58 C67 1.54(3) . ?
C60 C61 1.425(10) . ?
C61 C62 1.3900 . ?
C61 C66 1.3900 . ?
C62 C67 1.38(3) . ?
C62 C63 1.3900 . ?
C63 C64 1.3900 . ?
C63 H63 0.9500 . ?
C64 C65 1.3900 . ?
C64 H64 0.9500 . ?
C65 C66 1.3900 . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
C74 C75 1.394(9) . ?
C75 C76 1.389(9) . ?
C75 H75 0.9500 . ?
C76 C77 1.395(9) . ?
C76 H76 0.9500 . ?
C143 C144 1.3900 . ?
C143 N11 1.3900 . ?
C143 H143 0.9500 . ?
C144 C145 1.3900 . ?
C144 H144 0.9500 . ?
C145 C184 1.386(10) . ?
C145 C146 1.3900 . ?
C146 C147 1.3900 . ?
C146 H146 0.9500 . ?
C147 N11 1.3900 . ?
C147 H147 0.9500 . ?
C142 C196 1.382(9) . ?
C142 H142 0.9500 . ?
C78 C79 1.28(3) . ?
C78 C91 1.52(3) . ?
C78 H78 0.9500 . ?
C80 C79 1.42(4) . ?
C80 C82 1.46(3) . ?
C81 C82 1.3900 . ?
C81 C86 1.3900 . ?
C82 C83 1.3900 . ?
C83 C84 1.3900 . ?
C83 C91 1.54(3) . ?
C84 C85 1.3900 . ?
C85 C86 1.3900 . ?
C85 C90 1.47(3) . ?
C86 C87 1.43(3) . ?
C79 H79 0.9500 . ?
C87 C88 1.39(3) . ?
C87 H87 0.9500 . ?
C88 C89 1.40(3) . ?
C88 H88 0.9500 . ?
C89 C90 1.35(3) . ?
C89 H89 0.9500 . ?
C90 H90 0.9500 . ?
C101 C134 1.12(4) . ?
C101 C131 1.53(4) . ?
C100 C95 1.424(15) . ?
C100 H10A 0.9800 . ?
C100 H10B 0.9800 . ?
C100 H500 0.9800 . ?
C99 C94 1.444(15) . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
C98 C93 1.472(16) . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
C97 C93 1.3843 . ?
C97 C96 1.3844 . ?
C97 C103 1.433(15) . ?
C96 C95 1.3848 . ?
C96 C102 1.435(15) . ?
C95 C94 1.3842 . ?
C94 C93 1.3844 . ?
C108 C104 1.3375 . ?
C108 C107 1.3376 . ?
C108 C327 1.470(8) . ?
C107 C106 1.3376 . ?
C107 C326 1.482(16) . ?
C106 C105 1.3383 . ?
C106 C325 1.469(7) . ?
C105 C104 1.3380 . ?
C105 C324 1.468(15) . ?
C104 C323 1.467(15) . ?
C92 C118 1.322(10) . ?
C103 H504 0.9800 . ?
C103 H10D 0.9800 . ?
C103 H10E 0.9800 . ?
C102 H10F 0.9800 . ?
C102 H10G 0.9800 . ?
C102 H10H 0.9800 . ?
C109 C113 1.421(11) . ?
C109 C110 1.421(11) . ?
C109 C114 1.64(3) . ?
C110 C111 1.421(11) . ?
C110 C115 1.57(3) . ?
C111 C112 1.421(11) . ?
C111 C116 1.50(3) . ?
C112 C113 1.421(11) . ?
C112 C117 1.45(3) . ?
C113 C153 1.54(3) . ?
C243 C244 1.3900 . ?
C243 N12 1.3900 . ?
C243 H243 0.9500 . ?
C244 C245 1.3900 . ?
C244 H244 0.9500 . ?
C245 C246 1.3900 . ?
C245 C148 1.52(3) . ?
C246 C247 1.3900 . ?
C246 H246 0.9500 . ?
C247 N12 1.3900 . ?
C247 H247 0.9500 . ?
C219 C215 1.3856 . ?
C219 C218 1.3858 . ?
C219 C332 1.428(16) . ?
C218 C217 1.3857 . ?
C218 C331 1.417(16) . ?
C217 C216 1.3856 . ?
C217 C330 1.422(16) . ?
C216 C215 1.3861 . ?
C216 C329 1.418(16) . ?
C215 C328 1.423(16) . ?
C224 C223 1.3863 . ?
C224 C220 1.3864 . ?
C224 C297 1.434(9) . ?
C223 C222 1.3864 . ?
C223 C296 1.413(8) . ?
C222 C221 1.3871 . ?
C222 C295 1.414(8) . ?
C221 C220 1.3861 . ?
C221 C294 1.425(8) . ?
C220 C293 1.420(8) . ?
C233 C229 1.3904 . ?
C233 C232 1.3909 . ?
C233 C317 1.422(16) . ?
C232 C231 1.3906 . ?
C232 C316 1.404(16) . ?
C231 C230 1.3906 . ?
C231 C315 1.407(16) . ?
C230 C229 1.3906 . ?
C230 C314 1.425(16) . ?
C229 C313 1.416(16) . ?
C238 C234 1.3858 . ?
C238 C237 1.3866 . ?
C238 C292 1.408(16) . ?
C237 C236 1.3868 . ?
C237 C291 1.442(15) . ?
C236 C235 1.3875 . ?
C236 C290 1.411(15) . ?
C235 C234 1.3868 . ?
C235 C289 1.43(2) . ?
C234 C288 1.421(7) . ?
C129 C130 1.3900 . ?
C129 N7 1.3900 . ?
C129 H129 0.9500 . ?
C130 C131 1.3900 . ?
C130 H130 0.9500 . ?
C131 C132 1.3900 . ?
C132 C133 1.3900 . ?
C132 H132 0.9500 . ?
C133 N7 1.3900 . ?
C133 H133 0.9500 . ?
C117 H11A 0.9800 . ?
C117 H11B 0.9800 . ?
C117 H11C 0.9800 . ?
C116 H11D 0.9800 . ?
C116 H11E 0.9800 . ?
C116 H11F 0.9800 . ?
C115 H11G 0.9800 . ?
C115 H11H 0.9800 . ?
C115 H11I 0.9800 . ?
C114 H11J 0.9800 . ?
C114 H11K 0.9800 . ?
C114 H11L 0.9800 . ?
C128 C121 1.68(3) . ?
C128 H12A 0.9800 . ?
C128 H12B 0.9800 . ?
C128 H12C 0.9800 . ?
C127 C122 1.528(10) . ?
C127 H12D 0.9800 . ?
C127 H12E 0.9800 . ?
C127 H12F 0.9800 . ?
C126 C123 1.36(4) . ?
C126 H12G 0.9800 . ?
C126 H12H 0.9800 . ?
C126 H12I 0.9800 . ?
C125 C119 1.61(4) . ?
C125 H12J 0.9800 . ?
C125 H12K 0.9800 . ?
C125 H12L 0.9800 . ?
C124 C120 1.57(3) . ?
C124 H12M 0.9800 . ?
C124 H12N 0.9800 . ?
C124 H12O 0.9800 . ?
C123 C119 1.364(13) . ?
C123 C122 1.365(13) . ?
C122 C121 1.365(13) . ?
C121 C120 1.364(13) . ?
C120 C119 1.365(13) . ?
C134 C136 1.42(4) . ?
C135 C136 1.3900 . ?
C135 C140 1.3900 . ?
C135 H135 0.9500 . ?
C136 C137 1.3900 . ?
C137 C139 1.3900 . ?
C137 H137 0.9500 . ?
C139 C138 1.3900 . ?
C139 C149 1.43(4) . ?
C138 C140 1.3900 . ?
C138 H138 0.9500 . ?
C140 C141 1.39(3) . ?
C141 C148 1.13(3) . ?
C154 C171 1.14(4) . ?
C154 C169 1.56(4) . ?
C155 C156 1.3900 . ?
C155 C160 1.3900 . ?
C156 C157 1.3900 . ?
C156 C161 1.392(10) . ?
C157 C158 1.3900 . ?
C157 C162 1.397(10) . ?
C158 C159 1.3900 . ?
C159 C160 1.3900 . ?
C159 H159 0.9500 . ?
C160 H160 0.9500 . ?
C153 H15A 0.9800 . ?
C153 H15B 0.9800 . ?
C153 H15C 0.9800 . ?
C152 C206 1.28(4) . ?
C152 C149 1.337(10) . ?
C151 C188 1.374(9) . ?
C151 C166 1.388(10) . ?
C151 H151 0.9500 . ?
C150 C187 1.376(9) . ?
C150 C185 1.388(10) . ?
C150 H150 0.9500 . ?
C161 C163 1.395(10) . ?
C162 C164 1.403(10) . ?
C165 N9 1.3900 . ?
C165 C170 1.3900 . ?
C165 H165 0.9500 . ?
N9 C167 1.3900 . ?
C167 C168 1.3900 . ?
C167 H167 0.9500 . ?
C168 C169 1.3900 . ?
C168 H168 0.9500 . ?
C169 C170 1.3900 . ?
C170 H170 0.9500 . ?
C166 C185 1.384(10) . ?
C166 H166 0.9500 . ?
C164 C263 1.388(9) . ?
C164 C163 1.390(7) . ?
C163 C260 1.390(9) . ?
C171 C172 1.40(4) . ?
C172 C173 1.38(3) . ?
C172 C176 1.47(3) . ?
C173 C174 1.32(3) . ?
C173 H173 0.9500 . ?
C174 C202 1.38(3) . ?
C174 C177 1.47(3) . ?
C175 C176 1.34(3) . ?
C175 C202 1.41(3) . ?
C176 H176 0.9500 . ?
C177 C178 1.18(3) . ?
C178 C179 1.44(3) . ?
C179 C180 1.3900 . ?
C179 C183 1.3900 . ?
C180 C181 1.3900 . ?
C180 H180 0.9500 . ?
C181 N10 1.3900 . ?
C181 H181 0.9500 . ?
N10 C182 1.3900 . ?
C182 C183 1.3900 . ?
C182 H182 0.9500 . ?
C183 H183 0.9500 . ?
C186 C187 1.3900 . ?
C186 C191 1.3900 . ?
C187 C188 1.3900 . ?
C188 C189 1.3900 . ?
C189 C190 1.3900 . ?
C190 C195 1.386(9) . ?
C190 C191 1.3900 . ?
C191 C192 1.395(9) . ?
C185 H185 0.9500 . ?
C192 C193 1.390(9) . ?
C193 C194 1.388(9) . ?
C193 H193 0.9500 . ?
C194 C195 1.393(9) . ?
C194 H194 0.9500 . ?
C196 C198 1.388(9) . ?
C196 H196 0.9500 . ?
C199 C198 1.385(9) . ?
C199 H199 0.9500 . ?
C198 H198 0.9500 . ?
C202 H202 0.9500 . ?
C205 C206 1.3900 . ?
C205 C209 1.3900 . ?
C205 H205 0.9500 . ?
C206 C207 1.3900 . ?
C207 C208 1.3900 . ?
C207 H207 0.9500 . ?
C208 N8 1.3900 . ?
C208 H208 0.9500 . ?
N8 C209 1.3900 . ?
C209 H209 0.9500 . ?
C261 C260 1.391(10) . ?
C261 C262 1.393(10) . ?
C261 H261 0.9500 . ?
C260 H260 0.9500 . ?
C257 C256 1.3740(12) . ?
C257 C253 1.3742(12) . ?
C257 C302 1.449(16) . ?
C256 C255 1.3738(12) . ?
C256 C301 1.430(16) . ?
C255 C254 1.3738(12) . ?
C255 C300 1.445(16) . ?
C254 C253 1.3738(12) . ?
C254 C299 1.446(16) . ?
C253 C298 1.452(16) . ?
C252 C248 1.3706(12) . ?
C252 C251 1.3708(12) . ?
C252 C322 1.459(15) . ?
C251 C250 1.3708(12) . ?
C251 C321 1.464(16) . ?
C250 C249 1.3709(12) . ?
C250 C320 1.453(15) . ?
C249 C248 1.3707(12) . ?
C249 C319 1.451(15) . ?
C248 C318 1.440(15) . ?
C262 C263 1.391(10) . ?
C262 H262 0.9500 . ?
C263 H263 0.9500 . ?
C264 C270 1.379(8) . ?
C264 C265 1.3900 . ?
C264 C269 1.3900 . ?
C265 C266 1.3900 . ?
C266 C274 1.385(7) . ?
C266 C267 1.3900 . ?
C267 C277 1.382(7) . ?
C267 C268 1.3900 . ?
C268 C269 1.3900 . ?
C269 C271 1.391(8) . ?
C270 C273 1.395(9) . ?
C271 C272 1.387(9) . ?
C272 C273 1.370(9) . ?
C272 H272 0.9500 . ?
C273 H273 0.9500 . ?
C274 C275 1.389(7) . ?
C274 H274 0.9500 . ?
C275 C276 1.384(7) . ?
C275 H275 0.9500 . ?
C277 C276 1.387(7) . ?
C277 H277 0.9500 . ?
C278 C303 1.476(9) . ?
C278 C282 1.5095(12) . ?
C278 C279 1.5097(12) . ?
C279 C304 1.478(9) . ?
C279 C280 1.5094(12) . ?
C280 C305 1.470(8) . ?
C280 C281 1.5096(12) . ?
C281 C306 1.469(9) . ?
C281 C282 1.5094(12) . ?
C282 C307 1.474(9) . ?
C283 C287 1.2847(10) . ?
C283 C284 1.2851(10) . ?
C283 C308 1.535(10) . ?
C284 C285 1.2854 . ?
C284 C309 1.533(10) . ?
C285 C286 1.2848(10) . ?
C285 C310 1.535(10) . ?
C286 C287 1.2851(11) . ?
C286 C311 1.548(10) . ?
C287 C312 1.545(10) . ?
C276 H276 0.9500 . ?
C291 H29A 0.9800 . ?
C291 H29B 0.9800 . ?
C291 H29C 0.9800 . ?
C292 H29D 0.9800 . ?
C292 H29E 0.9800 . ?
C292 H29F 0.9800 . ?
C290 H29G 0.9800 . ?
C290 H29H 0.9800 . ?
C290 H29I 0.9800 . ?
C289 H28A 0.9800 . ?
C289 H28B 0.9800 . ?
C289 H28C 0.9800 . ?
C288 H28D 0.9800 . ?
C288 H28E 0.9800 . ?
C288 H28F 0.9800 . ?
C295 H29J 0.9800 . ?
C295 H29K 0.9800 . ?
C295 H29L 0.9800 . ?
C294 H29M 0.9800 . ?
C294 H29N 0.9800 . ?
C294 H29O 0.9800 . ?
C297 H29P 0.9800 . ?
C297 H29Q 0.9800 . ?
C297 H29R 0.9800 . ?
C296 H29S 0.9800 . ?
C296 H29T 0.9800 . ?
C296 H29U 0.9800 . ?
C298 H29V 0.9800 . ?
C298 H29W 0.9800 . ?
C298 H29X 0.9800 . ?
C300 H30A 0.9800 . ?
C300 H30B 0.9800 . ?
C300 H30C 0.9800 . ?
C299 H29Y 0.9800 . ?
C299 H29Z 0.9800 . ?
C299 H210 0.9800 . ?
C301 H30D 0.9800 . ?
C301 H30E 0.9800 . ?
C301 H30F 0.9800 . ?
C302 H30G 0.9800 . ?
C302 H30H 0.9800 . ?
C302 H30I 0.9800 . ?
C308 H30J 0.9800 . ?
C308 H30K 0.9800 . ?
C308 H30L 0.9800 . ?
C307 H30M 0.9800 . ?
C307 H30N 0.9800 . ?
C307 H30O 0.9800 . ?
C306 H30P 0.9800 . ?
C306 H501 0.9800 . ?
C306 H502 0.9800 . ?
C305 H505 0.9800 . ?
C305 H506 0.9800 . ?
C305 H30S 0.9800 . ?
C304 H30T 0.9800 . ?
C304 H30U 0.9800 . ?
C304 H30V 0.9800 . ?
C303 H30W 0.9800 . ?
C303 H508 0.9800 . ?
C303 H507 0.9800 . ?
C309 H30X 0.9800 . ?
C309 H30Y 0.9800 . ?
C309 H30Z 0.9800 . ?
C310 H31G 0.9800 . ?
C310 H31H 0.9800 . ?
C310 H31I 0.9800 . ?
C311 H31A 0.9800 . ?
C311 H31B 0.9800 . ?
C311 H31C 0.9800 . ?
C312 H31D 0.9800 . ?
C312 H31E 0.9800 . ?
C312 H31F 0.9800 . ?
C314 H31J 0.9800 . ?
C314 H31K 0.9800 . ?
C314 H31L 0.9800 . ?
C313 H31M 0.9800 . ?
C313 H31N 0.9800 . ?
C313 H31O 0.9800 . ?
C316 H31P 0.9800 . ?
C316 H31Q 0.9800 . ?
C316 H31R 0.9800 . ?
C315 H31S 0.9800 . ?
C315 H31T 0.9800 . ?
C315 H31U 0.9800 . ?
C318 H31V 0.9800 . ?
C318 H31W 0.9800 . ?
C318 H31X 0.9800 . ?
C317 H31Y 0.9800 . ?
C317 H31Z 0.9800 . ?
C317 H310 0.9800 . ?
C319 H311 0.9800 . ?
C319 H312 0.9800 . ?
C319 H313 0.9800 . ?
C320 H32A 0.9800 . ?
C320 H32B 0.9800 . ?
C320 H32C 0.9800 . ?
C321 H32D 0.9800 . ?
C321 H32E 0.9800 . ?
C321 H32F 0.9800 . ?
C322 H32G 0.9800 . ?
C322 H32H 0.9800 . ?
C322 H32I 0.9800 . ?
C324 H32J 0.9800 . ?
C324 H32K 0.9800 . ?
C324 H32L 0.9800 . ?
C323 H32M 0.9800 . ?
C323 H32N 0.9800 . ?
C323 H32O 0.9800 . ?
C325 H32P 0.9800 . ?
C325 H32Q 0.9800 . ?
C325 H32R 0.9800 . ?
C327 H32S 0.9800 . ?
C327 H32T 0.9800 . ?
C327 H32U 0.9800 . ?
C328 H32V 0.9800 . ?
C328 H32W 0.9800 . ?
C328 H32X 0.9800 . ?
C329 H32Y 0.9800 . ?
C329 H32Z 0.9800 . ?
C329 H314 0.9800 . ?
C330 H33A 0.9800 . ?
C330 H33B 0.9800 . ?
C330 H33C 0.9800 . ?
C331 H33D 0.9800 . ?
C331 H33E 0.9800 . ?
C331 H33F 0.9800 . ?
C332 H33G 0.9800 . ?
C332 H33H 0.9800 . ?
C332 H33I 0.9800 . ?
C326 H315 0.9800 . ?
C326 H316 0.9800 . ?
C326 H317 0.9800 . ?
C293 H211 0.9800 . ?
C293 H212 0.9800 . ?
C293 H213 0.9800 . ?
