#------------------------------------------------------------------------------
#$Date: 2024-09-06 02:46:17 +0300 (Fri, 06 Sep 2024) $
#$Revision: 294469 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/21/1572137.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_1572137
loop_
_publ_author_name
'Ibáñez, Susana'
'Mejuto, Carmen'
'Cerón, Katherin'
'Sanz Miguel, Pablo J.'
'Peris, Eduardo'
_publ_section_title
;
 A corannulene-based metallobox for the encapsulation of fullerenes.
;
_journal_issue                   33
_journal_name_full               'Chemical science'
_journal_page_first              13415
_journal_page_last               13420
_journal_paper_doi               10.1039/d4sc03661a
_journal_volume                  15
_journal_year                    2024
_chemical_formula_moiety         'C128 H148 N12 Rh4, C60, 4(F6 P), 5(C3 H6 O)'
_chemical_formula_sum            'C203 H178 F24 N12 O5 P4 Rh4'
_chemical_formula_weight         3857.08
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   'Fourier Difference Synthesis'
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2024-07-08 deposited with the CCDC.	2024-07-16 downloaded from the CCDC.
;
_cell_angle_alpha                105.856(3)
_cell_angle_beta                 107.732(2)
_cell_angle_gamma                105.180(2)
_cell_formula_units_Z            2
_cell_length_a                   17.8348(14)
_cell_length_b                   22.4557(19)
_cell_length_c                   25.220(2)
_cell_measurement_reflns_used    9384
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.28
_cell_measurement_theta_min      2.32
_cell_volume                     8573.1(12)
_computing_cell_refinement       'SAINT V8.40B (Bruker AXS, 2016) in APEX3'
_computing_data_collection       'SAINT V8.40B (Bruker AXS, 2016) in APEX3'
_computing_data_reduction        'SAINT V8.40B (Bruker AXS, 2016) in APEX3'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 2012)'
_computing_publication_material  'XCIF program, PLATON(Spek, 1998)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1116
_diffrn_reflns_av_unetI/netI     0.0683
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            446977
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         28.496
_diffrn_reflns_theta_min         1.884
_diffrn_source                   'Mo microsource'
_exptl_absorpt_coefficient_mu    0.506
_exptl_absorpt_correction_T_max  0.990
_exptl_absorpt_correction_T_min  0.881
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.494
_exptl_crystal_description       plate
_exptl_crystal_F_000             3952
_exptl_crystal_size_max          0.110
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.020
_refine_diff_density_max         2.454
_refine_diff_density_min         -1.410
_refine_diff_density_rms         0.150
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2286
_refine_ls_number_reflns         42939
_refine_ls_number_restraints     29
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.1806
_refine_ls_R_factor_gt           0.1129
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1704P)²+44.6074P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3092
_refine_ls_wR_factor_ref         0.3582
_reflns_Friedel_coverage         0.000
_reflns_number_gt                23432
_reflns_number_total             42939
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4sc03661a2.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_atom_sites_solution_primary' value 'Direct methods' was
changed to 'direct'.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 1572137.cif.
;
_cod_database_code               1572137
_shelx_shelxl_version_number     2014/7
_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   0.946
_shelx_estimated_absorpt_t_max   0.990
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 0.05614(4) 0.73456(3) 0.44457(3) 0.04770(18) Uani 1 1 d . . . . .
Rh2 Rh -0.14255(4) 0.09785(3) 0.03747(3) 0.0576(2) Uani 1 1 d . . . . .
Rh3 Rh 0.54859(4) 0.23871(4) 0.13085(4) 0.0635(2) Uani 1 1 d . . . . .
Rh4 Rh 0.74988(4) 0.87835(4) 0.53545(3) 0.0585(2) Uani 1 1 d . . . . .
C1A C -0.1288(4) 0.4563(4) 0.2044(3) 0.0404(15) Uani 1 1 d . . . . .
C2A C -0.1464(4) 0.3920(4) 0.1633(3) 0.0461(18) Uani 1 1 d . . . . .
C3A C -0.1513(4) 0.3972(4) 0.1075(3) 0.0487(18) Uani 1 1 d . . . . .
C4A C -0.1368(5) 0.4641(5) 0.1151(4) 0.053(2) Uani 1 1 d . . . . .
C5A C -0.1221(4) 0.5013(4) 0.1739(4) 0.0485(18) Uani 1 1 d . . . . .
C6A C -0.0937(4) 0.4750(4) 0.2662(3) 0.0433(16) Uani 1 1 d . . . . .
C7A C -0.0891(4) 0.4208(4) 0.2850(3) 0.0455(17) Uani 1 1 d . . . . .
H7AA H -0.0742 0.4284 0.3264 0.055 Uiso 1 1 calc R U . . .
C8A C -0.1054(4) 0.3582(4) 0.2455(3) 0.0433(16) Uani 1 1 d . . . . .
H8AA H -0.1004 0.3242 0.2604 0.052 Uiso 1 1 calc R U . . .
C9A C -0.1303(4) 0.3430(4) 0.1809(3) 0.0465(17) Uani 1 1 d . . . . .
C10A C -0.1326(4) 0.2900(4) 0.1313(3) 0.0465(17) Uani 1 1 d . . . . .
C11A C -0.1405(4) 0.2945(4) 0.0759(3) 0.0470(18) Uani 1 1 d . . . . .
C12A C -0.1418(5) 0.3535(5) 0.0627(3) 0.053(2) Uani 1 1 d . . . . .
C13A C -0.1232(5) 0.3782(5) 0.0202(3) 0.056(2) Uani 1 1 d . . . . .
H13A H -0.1223 0.3486 -0.0144 0.067 Uiso 1 1 calc R U . . .
C14A C -0.1062(5) 0.4445(6) 0.0280(4) 0.063(2) Uani 1 1 d . . . . .
H14A H -0.0928 0.4590 -0.0012 0.075 Uiso 1 1 calc R U . . .
C15A C -0.1080(5) 0.4929(5) 0.0787(4) 0.061(2) Uani 1 1 d . . . . .
C16A C -0.0715(5) 0.5642(5) 0.1050(4) 0.061(2) Uani 1 1 d . . . . .
H16A H -0.0560 0.5873 0.0812 0.073 Uiso 1 1 calc R U . . .
C17A C -0.0578(5) 0.6012(5) 0.1625(4) 0.057(2) Uani 1 1 d . . . . .
H17A H -0.0337 0.6485 0.1769 0.068 Uiso 1 1 calc R U . . .
C18A C -0.0791(4) 0.5696(4) 0.2022(4) 0.0497(18) Uani 1 1 d . . . . .
C19A C -0.0536(4) 0.5910(4) 0.2664(4) 0.0457(17) Uani 1 1 d . . . . .
C20A C -0.0582(4) 0.5469(4) 0.2965(3) 0.0425(16) Uani 1 1 d . . . . .
N21A N -0.0138(4) 0.6552(3) 0.3116(3) 0.0459(14) Uani 1 1 d . . . . .
N22A N -0.0214(3) 0.5871(3) 0.3579(3) 0.0419(13) Uani 1 1 d . . . . .
C23A C 0.0059(4) 0.6524(4) 0.3668(4) 0.0471(18) Uani 1 1 d . . . . .
N24A N -0.1285(4) 0.2280(3) 0.1269(3) 0.0450(14) Uani 1 1 d . . . . .
N25A N -0.1436(4) 0.2338(4) 0.0399(3) 0.0528(17) Uani 1 1 d . . . . .
C26A C -0.1364(5) 0.1932(4) 0.0712(4) 0.054(2) Uani 1 1 d . . . . .
C27A C -0.0022(5) 0.7164(4) 0.3006(4) 0.056(2) Uani 1 1 d . . . . .
H27A H 0.0324 0.7184 0.2765 0.068 Uiso 1 1 calc R U . . .
H27B H 0.0305 0.7548 0.3398 0.068 Uiso 1 1 calc R U . . .
C28A C -0.0827(6) 0.7245(5) 0.2684(5) 0.069(3) Uani 1 1 d . . . . .
H28A H -0.1254 0.7082 0.2839 0.083 Uiso 1 1 calc R U . . .
H28B H -0.1058 0.6967 0.2248 0.083 Uiso 1 1 calc R U . . .
C29A C -0.0679(7) 0.7979(6) 0.2769(6) 0.082(3) Uani 1 1 d . . . . .
H29A H -0.0513 0.8244 0.3199 0.098 Uiso 1 1 calc R U . . .
H29B H -0.0198 0.8156 0.2664 0.098 Uiso 1 1 calc R U . . .
C30A C -0.1411(8) 0.8074(7) 0.2409(7) 0.094(4) Uani 1 1 d . . . . .
H30D H -0.1397 0.8517 0.2617 0.140 Uiso 1 1 calc R U . . .
H30E H -0.1932 0.7730 0.2351 0.140 Uiso 1 1 calc R U . . .
H30F H -0.1398 0.8038 0.2016 0.140 Uiso 1 1 calc R U . . .
C31A C -0.0059(5) 0.5614(4) 0.4065(3) 0.0437(16) Uani 1 1 d . . . . .
H31C H -0.0578 0.5235 0.3971 0.052 Uiso 1 1 calc R U . . .
H31D H 0.0059 0.5969 0.4448 0.052 Uiso 1 1 calc R U . . .
C32A C 0.0689(4) 0.5380(4) 0.4148(3) 0.0428(16) Uani 1 1 d . . . . .
H32C H 0.0611 0.5071 0.3753 0.051 Uiso 1 1 calc R U . . .
H32D H 0.1223 0.5771 0.4301 0.051 Uiso 1 1 calc R U . . .
C33A C 0.0759(5) 0.5025(5) 0.4591(4) 0.055(2) Uani 1 1 d . . . . .
H33C H 0.0832 0.5336 0.4983 0.066 Uiso 1 1 calc R U . . .
H33D H 0.0220 0.4638 0.4437 0.066 Uiso 1 1 calc R U . . .
C34A C 0.1485(6) 0.4781(6) 0.4692(5) 0.076(3) Uani 1 1 d . . . . .
H34D H 0.1516 0.4588 0.4999 0.114 Uiso 1 1 calc R U . . .
H34E H 0.2020 0.5156 0.4828 0.114 Uiso 1 1 calc R U . . .
H34F H 0.1390 0.4439 0.4314 0.114 Uiso 1 1 calc R U . . .
C35A C -0.1113(5) 0.2052(4) 0.1764(4) 0.055(2) Uani 1 1 d . . . . .
H35C H -0.1271 0.1562 0.1598 0.066 Uiso 1 1 calc R U . . .
H35D H -0.1472 0.2149 0.1981 0.066 Uiso 1 1 calc R U . . .
C36A C -0.0166(5) 0.2388(5) 0.2215(4) 0.054(2) Uani 1 1 d . . . . .
H36C H 0.0189 0.2257 0.2008 0.065 Uiso 1 1 calc R U . . .
H36D H 0.0009 0.2880 0.2353 0.065 Uiso 1 1 calc R U . . .
C37A C -0.0009(6) 0.2192(5) 0.2766(4) 0.064(2) Uani 1 1 d . . . . .
H37C H -0.0401 0.2287 0.2953 0.077 Uiso 1 1 calc R U . . .
H37D H -0.0137 0.1705 0.2632 0.077 Uiso 1 1 calc R U . . .
C38A C 0.0890(6) 0.2561(6) 0.3230(5) 0.078(3) Uani 1 1 d . . . . .
H38A H 0.0942 0.2465 0.3593 0.117 Uiso 1 1 calc R U . . .
H38B H 0.1040 0.3043 0.3333 0.117 Uiso 1 1 calc R U . . .
H38C H 0.1275 0.2418 0.3067 0.117 Uiso 1 1 calc R U . . .
C39A C -0.1614(6) 0.2143(6) -0.0240(4) 0.069(3) Uani 1 1 d . . . . .
H39A H -0.1584 0.1698 -0.0395 0.083 Uiso 1 1 calc R U . A 1
H39B H -0.1174 0.2467 -0.0294 0.083 Uiso 1 1 calc R U . A 1
C40A C -0.2491(6) 0.2116(8) -0.0606(5) 0.100(4) Uani 1 1 d . . . B 1
H40A H -0.2528 0.2555 -0.0437 0.121 Uiso 1 1 calc R U . B 1
H40B H -0.2930 0.1778 -0.0565 0.121 Uiso 1 1 calc R U . B 1
C41A C -0.2678(9) 0.1941(10) -0.1279(6) 0.125(6) Uani 1 1 d D . . B 1
H41A H -0.3148 0.2066 -0.1479 0.150 Uiso 1 1 calc R U . B 1
H41B H -0.2168 0.2163 -0.1337 0.150 Uiso 1 1 calc R U . B 1
C42A C -0.291(2) 0.1233(12) -0.1499(14) 0.240(13) Uani 1 1 d D U . B 1
H42A H -0.2955 0.1070 -0.1913 0.360 Uiso 1 1 calc R U . B 1
H42B H -0.3465 0.1023 -0.1492 0.360 Uiso 1 1 calc R U . B 1
H42C H -0.2484 0.1121 -0.1241 0.360 Uiso 1 1 calc R U . B 1
C1B C 0.7091(4) 0.5633(4) 0.2767(4) 0.0526(19) Uani 1 1 d . . . C 1
C2B C 0.7265(4) 0.6276(4) 0.3175(4) 0.0498(18) Uani 1 1 d . . . C 1
C3B C 0.7084(5) 0.6672(4) 0.2840(4) 0.0515(19) Uani 1 1 d . . . C 1
C4B C 0.6778(5) 0.6265(5) 0.2214(4) 0.054(2) Uani 1 1 d . . . C 1
C5B C 0.6792(5) 0.5629(5) 0.2174(4) 0.055(2) Uani 1 1 d . . . C 1
C6B C 0.6940(5) 0.5075(4) 0.2908(4) 0.053(2) Uani 1 1 d . . . C 1
C7B C 0.7106(5) 0.5219(4) 0.3538(4) 0.0513(18) Uani 1 1 d . . . C 1
H7BA H 0.7102 0.4872 0.3686 0.062 Uiso 1 1 calc R U . C 1
C8B C 0.7270(5) 0.5849(4) 0.3928(4) 0.0533(19) Uani 1 1 d . . . C 1
H8BA H 0.7371 0.5920 0.4336 0.064 Uiso 1 1 calc R U . C 1
C9B C 0.7295(5) 0.6398(4) 0.3742(4) 0.0496(18) Uani 1 1 d . . . C 1
C10B C 0.7269(5) 0.7047(4) 0.4000(4) 0.0496(18) Uani 1 1 d . . . C 1
C11B C 0.7120(5) 0.7451(4) 0.3671(4) 0.0527(19) Uani 1 1 d . . . C 1
C12B C 0.6937(5) 0.7242(4) 0.3037(4) 0.054(2) Uani 1 1 d . . . C 1
C13B C 0.6482(6) 0.7420(5) 0.2558(4) 0.062(2) Uani 1 1 d . . . C 1
H13B H 0.6398 0.7830 0.2663 0.074 Uiso 1 1 calc R U . C 1
C14B C 0.6173(6) 0.7019(5) 0.1966(4) 0.060(2) Uani 1 1 d . . . C 1
H14B H 0.5874 0.7157 0.1672 0.072 Uiso 1 1 calc R U . C 1
C15B C 0.6280(5) 0.6397(5) 0.1766(4) 0.059(2) Uani 1 1 d . . . C 1
C16B C 0.5805(5) 0.5808(5) 0.1192(4) 0.061(2) Uani 1 1 d . . . C 1
H16B H 0.5478 0.5859 0.0843 0.073 Uiso 1 1 calc R U . C 1
C17B C 0.5825(5) 0.5196(5) 0.1149(4) 0.061(2) Uani 1 1 d . . . C 1
H17B H 0.5509 0.4834 0.0768 0.073 Uiso 1 1 calc R U . C 1
C18B C 0.6304(5) 0.5066(5) 0.1654(4) 0.061(2) Uani 1 1 d . . . C 1
C19B C 0.6246(4) 0.4466(4) 0.1789(4) 0.052(2) Uani 1 1 d . . . C 1
C20B C 0.6531(4) 0.4475(4) 0.2360(4) 0.0518(19) Uani 1 1 d . . . C 1
N21B N 0.5884(4) 0.3807(4) 0.1389(3) 0.0572(18) Uani 1 1 d . . . C 1
N22B N 0.6304(4) 0.3804(3) 0.2290(3) 0.0525(16) Uani 1 1 d . . . C 1
C23B C 0.5924(5) 0.3400(5) 0.1692(4) 0.059(2) Uani 1 1 d . . . C 1
N24B N 0.7372(4) 0.7413(3) 0.4585(3) 0.0501(15) Uani 1 1 d . . . C 1
N25B N 0.7180(4) 0.8035(4) 0.4080(3) 0.0553(17) Uani 1 1 d . . . C 1
C26B C 0.7331(5) 0.8018(4) 0.4633(4) 0.056(2) Uani 1 1 d . . . C 1
C27B C 0.5571(7) 0.3592(6) 0.0736(4) 0.084(3) Uani 1 1 d . . . C 1
H27C H 0.5145 0.3785 0.0597 0.101 Uiso 1 1 calc R U . C 1
H27D H 0.5281 0.3099 0.0551 0.101 Uiso 1 1 calc R U . C 1
C28B C 0.6247(8) 0.3790(8) 0.0525(5) 0.096(4) Uani 1 1 d . . . C 1
H28C H 0.6676 0.3595 0.0651 0.115 Uiso 1 1 calc R U . C 1
H28D H 0.6535 0.4282 0.0693 0.115 Uiso 1 1 calc R U . C 1
C29B C 0.5812(17) 0.3523(17) -0.0161(8) 0.28(2) Uani 1 1 d D . . C 1
H29C H 0.5379 0.3070 -0.0302 0.339 Uiso 1 1 calc R U . C 1
H29D H 0.5506 0.3811 -0.0270 0.339 Uiso 1 1 calc R U . C 1
C30B C 0.6297(15) 0.3485(14) -0.0462(8) 0.217(14) Uani 1 1 d D . . C 1
H30A H 0.6135 0.3017 -0.0717 0.325 Uiso 1 1 calc R U . C 1
H30B H 0.6893 0.3664 -0.0178 0.325 Uiso 1 1 calc R U . C 1
H30C H 0.6223 0.3746 -0.0715 0.325 Uiso 1 1 calc R U . C 1
C31B C 0.6370(5) 0.3548(4) 0.2778(4) 0.060(2) Uani 1 1 d . . . C 1
H31A H 0.6950 0.3787 0.3102 0.072 Uiso 1 1 calc R U . C 1
H31B H 0.6271 0.3067 0.2618 0.072 Uiso 1 1 calc R U . C 1
C32B C 0.5718(7) 0.3645(6) 0.3042(6) 0.082(3) Uani 1 1 d . U . C 1
H32A H 0.5142 0.3334 0.2740 0.099 Uiso 1 1 calc R U . C 1
H32B H 0.5736 0.4106 0.3118 0.099 Uiso 1 1 calc R U . C 1
C33B C 0.5880(14) 0.3522(10) 0.3649(9) 0.151(7) Uani 1 1 d . U . C 1
H33A H 0.5458 0.3078 0.3549 0.181 Uiso 1 1 calc R U . C 1
H33B H 0.6447 0.3492 0.3784 0.181 Uiso 1 1 calc R U . C 1
C34B C 0.5854(16) 0.3957(13) 0.4125(11) 0.191(8) Uani 1 1 d . U . C 1
H34A H 0.5335 0.4049 0.3993 0.286 Uiso 1 1 calc R U . C 1
H34B H 0.6351 0.4375 0.4297 0.286 Uiso 1 1 calc R U . C 1
H34C H 0.5858 0.3765 0.4430 0.286 Uiso 1 1 calc R U . C 1
C35B C 0.7419(5) 0.7154(5) 0.5061(4) 0.055(2) Uani 1 1 d . . . C 1
H35A H 0.7613 0.7530 0.5450 0.066 Uiso 1 1 calc R U . C 1
H35B H 0.7842 0.6940 0.5099 0.066 Uiso 1 1 calc R U . C 1
C36B C 0.6566(5) 0.6649(5) 0.4934(4) 0.062(2) Uani 1 1 d . . . C 1
H36A H 0.6347 0.6293 0.4529 0.074 Uiso 1 1 calc R U . C 1
H36B H 0.6156 0.6872 0.4933 0.074 Uiso 1 1 calc R U . C 1
C37B C 0.6640(7) 0.6338(8) 0.5403(6) 0.125(6) Uani 1 1 d . . . C 1
H37A H 0.6830 0.6690 0.5806 0.150 Uiso 1 1 calc R U . C 1
H37B H 0.7070 0.6132 0.5419 0.150 Uiso 1 1 calc R U . C 1
C38B C 0.5771(9) 0.5799(12) 0.5246(8) 0.205(13) Uani 1 1 d . . . C 1
H38D H 0.5860 0.5505 0.5464 0.308 Uiso 1 1 calc R U . C 1
H38E H 0.5500 0.5534 0.4811 0.308 Uiso 1 1 calc R U . C 1
H38F H 0.5404 0.6016 0.5364 0.308 Uiso 1 1 calc R U . C 1
C39B C 0.7163(6) 0.8637(5) 0.3948(5) 0.064(2) Uani 1 1 d . . . C 1
H39C H 0.7149 0.8967 0.4294 0.077 Uiso 1 1 calc R U . C 1
H39D H 0.6635 0.8510 0.3591 0.077 Uiso 1 1 calc R U . C 1
C40B C 0.7934(6) 0.8969(5) 0.3825(6) 0.075(3) Uani 1 1 d . . . C 1
H40C H 0.8467 0.9060 0.4162 0.090 Uiso 1 1 calc R U . C 1
H40D H 0.7916 0.8664 0.3451 0.090 Uiso 1 1 calc R U . C 1
C41B C 0.7911(7) 0.9623(5) 0.3762(7) 0.087(4) Uani 1 1 d . . . C 1
H41C H 0.7365 0.9539 0.3441 0.104 Uiso 1 1 calc R U . C 1
H41D H 0.7969 0.9942 0.4145 0.104 Uiso 1 1 calc R U . C 1
C42B C 0.8637(7) 0.9904(7) 0.3605(6) 0.098(4) Uani 1 1 d . . . C 1
H42D H 0.8753 1.0379 0.3686 0.148 Uiso 1 1 calc R U . C 1
H42E H 0.8488 0.9662 0.3177 0.148 Uiso 1 1 calc R U . C 1
H42F H 0.9143 0.9854 0.3850 0.148 Uiso 1 1 calc R U . C 1
C4C C 0.3523(5) 0.7805(4) 0.4695(4) 0.0499(18) Uani 1 1 d . . . D 1
C3C C 0.2984(5) 0.8017(5) 0.4308(4) 0.066(2) Uani 1 1 d . . . D 1
H3CA H 0.3195 0.8268 0.4101 0.079 Uiso 1 1 calc R U . D 1
C2C C 0.2159(5) 0.7851(5) 0.4240(4) 0.061(2) Uani 1 1 d . . . D 1
H2CA H 0.1809 0.8002 0.3984 0.073 Uiso 1 1 calc R U . D 1
N1C N 0.1806(4) 0.7492(3) 0.4507(3) 0.0476(15) Uani 1 1 d . . . D 1
C6C C 0.2296(5) 0.7296(4) 0.4860(4) 0.0530(19) Uani 1 1 d . . . D 1
H6CA H 0.2058 0.7043 0.5057 0.064 Uiso 1 1 calc R U . D 1
C5C C 0.3146(5) 0.7432(5) 0.4967(4) 0.059(2) Uani 1 1 d . . . D 1
H5CA H 0.3469 0.7270 0.5226 0.071 Uiso 1 1 calc R U . D 1
C7C C 0.4436(5) 0.8001(4) 0.4812(4) 0.055(2) Uani 1 1 d . . . D 1
C8C C 0.4973(6) 0.7861(6) 0.5225(5) 0.073(3) Uani 1 1 d . . . D 1
H8CA H 0.4761 0.7609 0.5432 0.087 Uiso 1 1 calc R U . D 1
C9C C 0.5844(5) 0.8090(6) 0.5348(5) 0.071(3) Uani 1 1 d . . . D 1
H9CA H 0.6209 0.7984 0.5638 0.085 Uiso 1 1 calc R U . D 1
N10C N 0.6173(4) 0.8440(4) 0.5086(4) 0.0600(18) Uani 1 1 d . . . D 1
C11C C 0.5649(6) 0.8551(6) 0.4651(6) 0.083(3) Uani 1 1 d . . . D 1
H11A H 0.5882 0.8787 0.4442 0.100 Uiso 1 1 calc R U . D 1
C12C C 0.4778(6) 0.8334(6) 0.4492(5) 0.076(3) Uani 1 1 d . . . D 1
H12A H 0.4420 0.8409 0.4173 0.091 Uiso 1 1 calc R U . D 1
N1D N -0.0124(4) 0.1347(4) 0.0595(3) 0.0562(17) Uani 1 1 d . . . E 1
C2D C 0.0447(5) 0.1336(4) 0.1086(4) 0.0525(19) Uani 1 1 d . . . E 1
H2DA H 0.0247 0.1169 0.1346 0.063 Uiso 1 1 calc R U . E 1
C3D C 0.1310(5) 0.1556(5) 0.1224(4) 0.054(2) Uani 1 1 d . . . E 1
H3DA H 0.1692 0.1556 0.1581 0.064 Uiso 1 1 calc R U . E 1
C4D C 0.1610(4) 0.1776(4) 0.0845(4) 0.0489(18) Uani 1 1 d . . . E 1
C5D C 0.1043(5) 0.1818(6) 0.0363(5) 0.077(3) Uani 1 1 d . . . E 1
H5DA H 0.1234 0.1984 0.0101 0.093 Uiso 1 1 calc R U . E 1
C6D C 0.0194(5) 0.1618(6) 0.0258(5) 0.077(3) Uani 1 1 d . . . E 1
H6DA H -0.0182 0.1675 -0.0066 0.093 Uiso 1 1 calc R U . E 1
C7D C 0.2519(4) 0.1984(4) 0.0968(4) 0.0480(18) Uani 1 1 d . . . E 1
C8D C 0.2836(5) 0.2104(5) 0.0548(4) 0.063(2) Uani 1 1 d . . . E 1
H8DA H 0.2466 0.2082 0.0174 0.075 Uiso 1 1 calc R U . E 1
C9D C 0.3685(5) 0.2253(6) 0.0678(4) 0.069(3) Uani 1 1 d . . . E 1
H9DA H 0.3880 0.2326 0.0382 0.083 Uiso 1 1 calc R U . E 1
N10D N 0.4246(4) 0.2302(4) 0.1180(3) 0.0558(18) Uani 1 1 d . . . E 1
C11D C 0.3957(5) 0.2212(5) 0.1602(4) 0.063(2) Uani 1 1 d . . . E 1
H11B H 0.4346 0.2249 0.1974 0.076 Uiso 1 1 calc R U . E 1
C12D C 0.3107(5) 0.2067(5) 0.1505(4) 0.061(2) Uani 1 1 d . . . E 1
H12B H 0.2933 0.2024 0.1818 0.073 Uiso 1 1 calc R U . E 1
C1E C -0.0662(5) 0.7400(4) 0.4261(5) 0.060(2) Uani 1 1 d . . . F 1
H1EA H -0.1080 0.7130 0.3834 0.072 Uiso 1 1 calc R U . F 1
C2E C -0.0549(5) 0.7029(5) 0.4615(4) 0.055(2) Uani 1 1 d . . . F 1
H2EA H -0.0900 0.6540 0.4394 0.066 Uiso 1 1 calc R U . F 1
C3E C -0.0302(6) 0.7267(5) 0.5285(5) 0.072(3) Uani 1 1 d . . . F 1
H3EA H -0.0090 0.6954 0.5434 0.087 Uiso 1 1 calc R U . F 1
H3EB H -0.0815 0.7256 0.5364 0.087 Uiso 1 1 calc R U . F 1
C4E C 0.0369(6) 0.7964(6) 0.5635(5) 0.075(3) Uani 1 1 d . . . F 1
H4EA H 0.0660 0.8020 0.6058 0.090 Uiso 1 1 calc R U . F 1
H4EB H 0.0093 0.8294 0.5636 0.090 Uiso 1 1 calc R U . F 1
C5E C 0.1025(5) 0.8104(4) 0.5368(4) 0.061(2) Uani 1 1 d . . . F 1
H5EA H 0.1612 0.8182 0.5639 0.073 Uiso 1 1 calc R U . F 1
C6E C 0.0998(6) 0.8414(5) 0.4978(5) 0.068(3) Uani 1 1 d . . . F 1
H6EA H 0.1566 0.8691 0.5017 0.082 Uiso 1 1 calc R U . F 1
C7E C 0.0264(6) 0.8624(5) 0.4695(6) 0.078(3) Uani 1 1 d . . . F 1
H7EA H 0.0329 0.9047 0.4992 0.094 Uiso 1 1 calc R U . F 1
H7EB H 0.0317 0.8714 0.4342 0.094 Uiso 1 1 calc R U . F 1
C8E C -0.0605(6) 0.8124(5) 0.4497(5) 0.070(3) Uani 1 1 d . . . F 1
H8EA H -0.1010 0.8194 0.4174 0.084 Uiso 1 1 calc R U . F 1
H8EB H -0.0775 0.8198 0.4841 0.084 Uiso 1 1 calc R U . F 1
C1F C -0.2768(5) 0.0627(6) -0.0117(5) 0.086(4) Uani 1 1 d . . . G 1
H1FA H -0.2982 0.0988 -0.0164 0.103 Uiso 1 1 calc R U . G 1
C2F C -0.2601(6) 0.0590(6) 0.0441(5) 0.087(4) Uani 1 1 d . . . G 1
H2FA H -0.2714 0.0934 0.0720 0.104 Uiso 1 1 calc R U . G 1
C3F C -0.2680(10) -0.0036(7) 0.0587(7) 0.113(5) Uani 1 1 d . . . G 1
H3FA H -0.2514 0.0092 0.1026 0.136 Uiso 1 1 calc R U . G 1
H3FB H -0.3282 -0.0348 0.0381 0.136 Uiso 1 1 calc R U . G 1
C4F C -0.2153(11) -0.0386(9) 0.0404(12) 0.170(9) Uani 1 1 d . . . G 1
H4FA H -0.2539 -0.0799 0.0045 0.204 Uiso 1 1 calc R U . G 1
H4FB H -0.1894 -0.0525 0.0732 0.204 Uiso 1 1 calc R U . G 1
C5F C -0.1465(8) -0.0039(5) 0.0260(7) 0.092(4) Uani 1 1 d . . . G 1
H5FA H -0.0904 -0.0059 0.0470 0.110 Uiso 1 1 calc R U . G 1
C6F C -0.1577(8) 0.0027(6) -0.0276(6) 0.103(5) Uani 1 1 d . . . G 1
H6FA H -0.1071 0.0055 -0.0376 0.124 Uiso 1 1 calc R U . G 1
C7F C -0.2385(10) -0.0178(10) -0.0824(8) 0.190(12) Uani 1 1 d . . . G 1
H7FA H -0.2234 0.0006 -0.1109 0.228 Uiso 1 1 calc R U . G 1
H7FB H -0.2620 -0.0672 -0.1026 0.228 Uiso 1 1 calc R U . G 1
C8F C -0.3065(7) 0.0029(7) -0.0718(6) 0.114(5) Uani 1 1 d . . . G 1
H8FA H -0.3497 -0.0358 -0.0725 0.137 Uiso 1 1 calc R U . G 1
H8FB H -0.3345 0.0148 -0.1055 0.137 Uiso 1 1 calc R U . G 1
C1G C 0.5012(6) 0.1348(5) 0.0669(7) 0.101(5) Uani 1 1 d . . . H 1
H1GA H 0.4404 0.1175 0.0380 0.121 Uiso 1 1 calc R U . H 1
C2G C 0.5113(7) 0.1333(6) 0.1213(7) 0.097(4) Uani 1 1 d . . . H 1
H2GA H 0.4559 0.1161 0.1246 0.117 Uiso 1 1 calc R U . H 1
C3G C 0.5825(8) 0.1247(7) 0.1658(7) 0.105(4) Uani 1 1 d . . . H 1
H3GA H 0.5776 0.0776 0.1513 0.126 Uiso 1 1 calc R U . H 1
H3GB H 0.5783 0.1359 0.2053 0.126 Uiso 1 1 calc R U . H 1
C4G C 0.6694(6) 0.1710(5) 0.1731(5) 0.072(3) Uani 1 1 d . . . H 1
H4GA H 0.7121 0.1813 0.2135 0.086 Uiso 1 1 calc R U . H 1
H4GB H 0.6865 0.1460 0.1430 0.086 Uiso 1 1 calc R U . H 1
C5G C 0.6731(4) 0.2363(5) 0.1660(4) 0.058(2) Uani 1 1 d . . . H 1
H5GA H 0.7149 0.2768 0.2025 0.070 Uiso 1 1 calc R U . H 1
C6G C 0.6583(5) 0.2459(5) 0.1120(5) 0.069(3) Uani 1 1 d . . . H 1
H6GA H 0.6919 0.2918 0.1168 0.083 Uiso 1 1 calc R U . H 1
C7G C 0.6322(5) 0.1919(5) 0.0506(5) 0.069(3) Uani 1 1 d . . . H 1
H7GA H 0.6125 0.2093 0.0191 0.082 Uiso 1 1 calc R U . H 1
H7GB H 0.6830 0.1829 0.0487 0.082 Uiso 1 1 calc R U . H 1
C8G C 0.5630(7) 0.1264(8) 0.0360(7) 0.133(7) Uani 1 1 d . . . H 1
H8GA H 0.5898 0.0965 0.0489 0.159 Uiso 1 1 calc R U . H 1
H8GB H 0.5301 0.1047 -0.0082 0.159 Uiso 1 1 calc R U . H 1
C1H C 0.8761(5) 0.8876(5) 0.5834(5) 0.070(3) Uani 1 1 d . . . I 1
H1HA H 0.8896 0.8478 0.5669 0.084 Uiso 1 1 calc R U . I 1
C2H C 0.8783(5) 0.9289(5) 0.5522(6) 0.075(3) Uani 1 1 d . . . I 1
H2HA H 0.8930 0.9138 0.5169 0.090 Uiso 1 1 calc R U . I 1
C3H C 0.9080(7) 1.0033(6) 0.5823(8) 0.102(4) Uani 1 1 d . . . I 1
H3HA H 0.9422 1.0245 0.5632 0.123 Uiso 1 1 calc R U . I 1
H3HB H 0.9455 1.0175 0.6252 0.123 Uiso 1 1 calc R U . I 1
C4H C 0.8353(8) 1.0289(6) 0.5787(8) 0.115(5) Uani 1 1 d . . . I 1
H4HA H 0.8116 1.0322 0.5392 0.138 Uiso 1 1 calc R U . I 1
H4HB H 0.8568 1.0738 0.6107 0.138 Uiso 1 1 calc R U . I 1
C5H C 0.7652(7) 0.9791(5) 0.5870(7) 0.089(4) Uani 1 1 d . . . I 1
H5HA H 0.7106 0.9866 0.5755 0.106 Uiso 1 1 calc R U . I 1
C6H C 0.7731(7) 0.9494(6) 0.6259(5) 0.078(3) Uani 1 1 d . . . I 1
H6HA H 0.7241 0.9391 0.6379 0.094 Uiso 1 1 calc R U . I 1
C7H C 0.8574(8) 0.9600(7) 0.6733(6) 0.099(4) Uani 1 1 d . . . I 1
H7HA H 0.8487 0.9553 0.7091 0.119 Uiso 1 1 calc R U . I 1
H7HB H 0.8977 1.0061 0.6859 0.119 Uiso 1 1 calc R U . I 1
C8H C 0.8967(7) 0.9108(7) 0.6510(6) 0.095(4) Uani 1 1 d . . . I 1
H8HA H 0.8767 0.8711 0.6604 0.114 Uiso 1 1 calc R U . I 1
H8HB H 0.9592 0.9321 0.6735 0.114 Uiso 1 1 calc R U . I 1
P10 P 0.17292(16) 0.68564(14) 0.62421(12) 0.0642(6) Uani 1 1 d . . . J 1
F11 F 0.1198(3) 0.6651(3) 0.5544(2) 0.0674(14) Uani 1 1 d . . . J 1
F12 F 0.1615(3) 0.6098(3) 0.6138(2) 0.0681(13) Uani 1 1 d . . . J 1
F13 F 0.1845(5) 0.7620(3) 0.6346(3) 0.103(2) Uani 1 1 d . . . J 1
F14 F 0.0865(4) 0.6726(4) 0.6342(3) 0.0868(19) Uani 1 1 d . . . J 1
F15 F 0.2229(4) 0.7066(3) 0.6939(3) 0.0898(18) Uani 1 1 d . . . J 1
F16 F 0.2584(3) 0.6972(4) 0.6125(3) 0.095(2) Uani 1 1 d . . . J 1
P20 P 0.5037(3) 0.8698(3) 0.2894(3) 0.1442(19) Uani 1 1 d . . . K 1
F21 F 0.5837(7) 0.8779(6) 0.2721(5) 0.165(4) Uani 1 1 d . . . K 1
F22 F 0.5663(8) 0.9197(7) 0.3571(5) 0.179(5) Uani 1 1 d . . . K 1
F23 F 0.4271(12) 0.8654(15) 0.3105(11) 0.334(13) Uani 1 1 d . . . K 1
F24 F 0.4440(9) 0.8153(7) 0.2226(7) 0.252(9) Uani 1 1 d . . . K 1
F25 F 0.4947(9) 0.9283(7) 0.2699(9) 0.245(8) Uani 1 1 d . . . K 1
F26 F 0.5163(8) 0.8119(6) 0.3121(7) 0.201(6) Uani 1 1 d . . . K 1
P30 P 0.9865(2) 0.7647(2) 0.1060(2) 0.1075(13) Uani 1 1 d . . . L 1
F31 F 1.0608(4) 0.8215(3) 0.1063(3) 0.0943(19) Uani 1 1 d . . . L 1
F32 F 0.9252(5) 0.8030(4) 0.0927(3) 0.106(2) Uani 1 1 d . . . L 1
F33 F 0.9587(7) 0.7276(4) 0.0358(5) 0.167(5) Uani 1 1 d . . . L 1
F34 F 1.0501(5) 0.7273(6) 0.1212(7) 0.190(6) Uani 1 1 d . . . L 1
F35 F 0.9150(5) 0.7096(7) 0.1074(8) 0.257(9) Uani 1 1 d . . . L 1
F36 F 1.0180(6) 0.8050(9) 0.1758(4) 0.224(8) Uani 1 1 d . . . L 1
P40 P 0.6752(4) 0.8021(5) 0.6908(3) 0.220(4) Uani 1 1 d . . . M 1
F41 F 0.6539(9) 0.8601(10) 0.6756(6) 0.234(8) Uani 1 1 d . . . M 1
F42 F 0.7496(7) 0.8622(9) 0.7548(7) 0.226(7) Uani 1 1 d . . . M 1
F43 F 0.7076(9) 0.7591(9) 0.7170(7) 0.227(7) Uani 1 1 d . . . M 1
F44 F 0.6168(7) 0.7938(12) 0.7242(6) 0.288(11) Uani 1 1 d . . . M 1
F45 F 0.7331(5) 0.8063(7) 0.6547(6) 0.187(6) Uani 1 1 d . . . M 1
F46 F 0.5960(8) 0.7494(10) 0.6308(8) 0.260(10) Uani 1 1 d . . . M 1
C1 C 0.3307(10) 0.4614(9) 0.1049(6) 0.107(5) Uani 1 1 d . . . N 1
C2 C 0.3473(9) 0.5270(7) 0.1152(6) 0.087(4) Uani 1 1 d . . . N 1
C3 C 0.2595(8) 0.5361(8) 0.0967(5) 0.090(4) Uani 1 1 d . . . N 1
C4 C 0.1961(13) 0.4727(12) 0.0753(5) 0.144(8) Uani 1 1 d . . . N 1
C5 C 0.2351(9) 0.4236(8) 0.0791(5) 0.092(4) Uani 1 1 d . . . N 1
C6 C 0.3849(8) 0.4455(8) 0.1432(5) 0.097(5) Uani 1 1 d . . . N 1
C7 C 0.4606(7) 0.4980(7) 0.1985(5) 0.076(3) Uani 1 1 d . . . N 1
C8 C 0.4741(6) 0.5651(8) 0.2096(5) 0.090(4) Uani 1 1 d . . . N 1
C9 C 0.4155(6) 0.5812(6) 0.1661(5) 0.070(3) Uani 1 1 d D . . N 1
C10 C 0.4065(9) 0.6370(6) 0.2007(6) 0.104(4) Uani 1 1 d D . . N 1
C11 C 0.3287(13) 0.6433(10) 0.1828(11) 0.147(8) Uani 1 1 d D . . N 1
C12 C 0.2619(8) 0.5954(7) 0.1315(5) 0.073(3) Uani 1 1 d . . . N 1
C13 C 0.1831(9) 0.5879(8) 0.1442(7) 0.096(4) Uani 1 1 d . . . N 1
C14 C 0.1191(6) 0.5265(6) 0.1227(5) 0.070(3) Uani 1 1 d . . . N 1
C15 C 0.1342(7) 0.4697(10) 0.0873(5) 0.123(7) Uani 1 1 d . . . N 1
C16 C 0.0947(6) 0.4082(6) 0.1042(4) 0.071(3) Uani 1 1 d . . . N 1
C17 C 0.1320(7) 0.3661(8) 0.1108(7) 0.103(5) Uani 1 1 d . . . N 1
C18 C 0.2130(11) 0.3740(8) 0.0958(7) 0.110(5) Uani 1 1 d . . . N 1
C19 C 0.2567(14) 0.3535(6) 0.1356(7) 0.116(6) Uani 1 1 d . . . N 1
C20 C 0.3541(8) 0.3891(6) 0.1640(7) 0.094(4) Uani 1 1 d . . . N 1
C21 C 0.4053(7) 0.4092(6) 0.2253(5) 0.073(3) Uani 1 1 d . . . N 1
C22 C 0.4714(6) 0.4744(6) 0.2464(5) 0.076(3) Uani 1 1 d . . . N 1
C23 C 0.4930(5) 0.5184(6) 0.3049(5) 0.072(3) Uani 1 1 d . . . N 1
C24 C 0.5084(5) 0.5865(6) 0.3166(5) 0.076(3) Uani 1 1 d . . . N 1
C25 C 0.4981(5) 0.6106(7) 0.2696(6) 0.084(3) Uani 1 1 d . . . N 1
C26 C 0.4571(8) 0.6552(8) 0.2651(8) 0.101(4) Uani 1 1 d D . . N 1
C27 C 0.4320(10) 0.6783(7) 0.3083(9) 0.118(5) Uani 1 1 d . . . N 1
C28 C 0.3441(12) 0.6851(7) 0.2907(10) 0.124(6) Uani 1 1 d . . . N 1
C29 C 0.3018(9) 0.6711(6) 0.2316(7) 0.082(3) Uani 1 1 d . . . N 1
C30 C 0.2049(10) 0.6314(7) 0.1999(6) 0.095(4) Uani 1 1 d . . . N 1
C31 C 0.1632(7) 0.6118(6) 0.2363(5) 0.075(3) Uani 1 1 d . . . N 1
C32 C 0.0998(6) 0.5461(6) 0.2155(5) 0.078(3) Uani 1 1 d . . . N 1
C33 C 0.0768(5) 0.5023(6) 0.1585(5) 0.073(3) Uani 1 1 d . . . N 1
C34 C 0.0635(5) 0.4357(5) 0.1472(4) 0.063(2) Uani 1 1 d . . . N 1
C35 C 0.0720(5) 0.4127(6) 0.1949(5) 0.071(3) Uani 1 1 d . . . N 1
C36 C 0.1140(6) 0.3654(6) 0.1946(7) 0.090(4) Uani 1 1 d . . . N 1
C37 C 0.1408(8) 0.3455(7) 0.1541(10) 0.106(5) Uani 1 1 d . . . N 1
C38 C 0.2364(15) 0.3384(7) 0.1739(8) 0.147(8) Uani 1 1 d . . . N 1
C39 C 0.2688(8) 0.3516(6) 0.2304(6) 0.079(3) Uani 1 1 d . . . N 1
C40 C 0.3633(9) 0.3904(8) 0.2608(7) 0.094(4) Uani 1 1 d . . . N 1
C41 C 0.3838(10) 0.4313(9) 0.3160(7) 0.105(5) Uani 1 1 d . . . N 1
C42 C 0.4491(6) 0.4935(7) 0.3397(5) 0.078(3) Uani 1 1 d . . . N 1
C43 C 0.4352(8) 0.5536(11) 0.3769(5) 0.130(7) Uani 1 1 d . . . N 1
C44 C 0.4757(6) 0.6136(7) 0.3594(5) 0.087(4) Uani 1 1 d . . . N 1
C45 C 0.4389(8) 0.6572(8) 0.3539(7) 0.108(5) Uani 1 1 d . . . N 1
C46 C 0.3577(12) 0.6483(10) 0.3682(6) 0.129(7) Uani 1 1 d . . . N 1
C47 C 0.3050(9) 0.6686(7) 0.3231(10) 0.128(7) Uani 1 1 d . . . N 1
C48 C 0.2173(7) 0.6337(6) 0.2993(6) 0.093(4) Uani 1 1 d . . . N 1
C49 C 0.1836(8) 0.5760(9) 0.3199(5) 0.097(5) Uani 1 1 d . . . N 1
C50 C 0.1094(6) 0.5220(6) 0.2642(5) 0.073(3) Uani 1 1 d . . . N 1
C51 C 0.0962(6) 0.4559(8) 0.2541(6) 0.088(4) Uani 1 1 d . . . N 1
C52 C 0.1554(6) 0.4421(6) 0.2980(5) 0.067(3) Uani 1 1 d . . . N 1
C53 C 0.1680(11) 0.3816(13) 0.2598(13) 0.213(16) Uani 1 1 d . . . N 1
C54 C 0.2339(13) 0.3824(8) 0.2820(7) 0.142(8) Uani 1 1 d . . . N 1
C55 C 0.3022(9) 0.4240(8) 0.3276(6) 0.086(4) Uani 1 1 d . . . N 1
C56 C 0.3057(9) 0.4878(11) 0.3667(6) 0.131(8) Uani 1 1 d . . . N 1
C57 C 0.3678(15) 0.541(2) 0.3852(7) 0.238(18) Uani 1 1 d . . . N 1
C58 C 0.3323(10) 0.5961(10) 0.3854(5) 0.105(5) Uani 1 1 d . . . N 1
C59 C 0.2354(12) 0.5587(12) 0.3575(7) 0.131(6) Uani 1 1 d . . . N 1
C60 C 0.2183(9) 0.4953(8) 0.3470(6) 0.089(4) Uani 1 1 d . . . N 1
O1I O -0.0204(8) 0.0511(6) 0.1869(5) 0.132(4) Uani 1 1 d . . . O 1
C2I C -0.0100(11) -0.0044(8) 0.1795(6) 0.109(5) Uani 1 1 d . . . O 1
C3I C 0.0468(11) -0.0205(7) 0.1514(7) 0.114(5) Uani 1 1 d . . . O 1
H3IA H 0.0485 -0.0639 0.1508 0.171 Uiso 1 1 calc R U . O 1
H3IB H 0.1041 0.0141 0.1746 0.171 Uiso 1 1 calc R U . O 1
H3IC H 0.0257 -0.0223 0.1100 0.171 Uiso 1 1 calc R U . O 1
C4I C -0.0622(11) -0.0546(9) 0.1949(8) 0.142(7) Uani 1 1 d . . . O 1
H4IA H -0.0281 -0.0532 0.2343 0.213 Uiso 1 1 calc R U . O 1
H4IB H -0.0808 -0.0993 0.1641 0.213 Uiso 1 1 calc R U . O 1
H4IC H -0.1119 -0.0446 0.1964 0.213 Uiso 1 1 calc R U . O 1
O1J O 0.1609(8) 0.8477(7) 0.3211(6) 0.154(5) Uani 1 1 d . . . P 1
C2J C 0.1965(10) 0.8472(7) 0.2848(6) 0.102(4) Uani 1 1 d D . . P 1
C3J C 0.2144(14) 0.9041(7) 0.2643(8) 0.144(7) Uani 1 1 d . . . P 1
H3JA H 0.1831 0.8876 0.2205 0.215 Uiso 1 1 calc R U . P 1
H3JB H 0.2755 0.9236 0.2746 0.215 Uiso 1 1 calc R U . P 1
H3JC H 0.1964 0.9382 0.2843 0.215 Uiso 1 1 calc R U . P 1
C4J C 0.2109(12) 0.7896(8) 0.2609(9) 0.143(6) Uani 1 1 d D . . P 1
H4JA H 0.1803 0.7703 0.2170 0.215 Uiso 1 1 calc R U . P 1
H4JB H 0.1908 0.7571 0.2776 0.215 Uiso 1 1 calc R U . P 1
H4JC H 0.2719 0.8010 0.2715 0.215 Uiso 1 1 calc R U . P 1
O1K O 0.6011(5) 0.5891(6) -0.0016(4) 0.109(3) Uani 1 1 d . . . Q 1
C2K C 0.6734(6) 0.6197(7) 0.0331(4) 0.070(3) Uani 1 1 d . . . Q 1
C3K C 0.7336(6) 0.5888(7) 0.0575(5) 0.086(3) Uani 1 1 d . . . Q 1
H3KA H 0.7041 0.5402 0.0412 0.129 Uiso 1 1 calc R U . Q 1
H3KB H 0.7548 0.6062 0.1016 0.129 Uiso 1 1 calc R U . Q 1
H3KC H 0.7814 0.5997 0.0458 0.129 Uiso 1 1 calc R U . Q 1
C4K C 0.7059(9) 0.6906(10) 0.0575(9) 0.138(6) Uani 1 1 d . . . Q 1
H4KA H 0.6587 0.7061 0.0526 0.208 Uiso 1 1 calc R U . Q 1
H4KB H 0.7389 0.7073 0.0363 0.208 Uiso 1 1 calc R U . Q 1
H4KC H 0.7426 0.7072 0.1004 0.208 Uiso 1 1 calc R U . Q 1
O1L O 0.4111(9) 0.1792(8) -0.0542(6) 0.176(6) Uani 1 1 d . . . R 1
C2L C 0.3896(14) 0.1508(10) -0.1101(8) 0.146(8) Uani 1 1 d . . . R 1
C3L C 0.4576(19) 0.1447(14) -0.1307(12) 0.30(2) Uani 1 1 d . . . R 1
H3LA H 0.5107 0.1583 -0.0956 0.445 Uiso 1 1 calc R U . R 1
H3LB H 0.4658 0.1735 -0.1531 0.445 Uiso 1 1 calc R U . R 1
H3LC H 0.4414 0.0981 -0.1569 0.445 Uiso 1 1 calc R U . R 1
C4L C 0.3145(12) 0.1383(10) -0.1511(11) 0.178(10) Uani 1 1 d . . . R 1
H4LA H 0.3032 0.1795 -0.1448 0.268 Uiso 1 1 calc R U . R 1
H4LB H 0.2705 0.1048 -0.1475 0.268 Uiso 1 1 calc R U . R 1
H4LC H 0.3141 0.1213 -0.1914 0.268 Uiso 1 1 calc R U . R 1
O1M O 0.6830(10) 0.0156(8) 0.1855(7) 0.087(5) Uiso 0.503(11) 1 d . . P S 1
C2M C 0.7235(13) 0.0542(10) 0.2393(9) 0.069(5) Uiso 0.503(11) 1 d . . P S 1
C3M C 0.8103(14) 0.0889(11) 0.2549(10) 0.080(6) Uiso 0.503(11) 1 d . . P S 1
H3MA H 0.8217 0.0796 0.2185 0.120 Uiso 0.503(11) 1 calc R U P S 1
H3MB H 0.8449 0.0741 0.2830 0.120 Uiso 0.503(11) 1 calc R U P S 1
H3MC H 0.8247 0.1370 0.2741 0.120 Uiso 0.503(11) 1 calc R U P S 1
C4M C 0.6886(15) 0.0633(12) 0.2840(10) 0.082(6) Uiso 0.503(11) 1 d . . P S 1
H4MA H 0.6264 0.0451 0.2639 0.123 Uiso 0.503(11) 1 calc R U P S 1
H4MB H 0.7088 0.1111 0.3083 0.123 Uiso 0.503(11) 1 calc R U P S 1
H4MC H 0.7066 0.0400 0.3101 0.123 Uiso 0.503(11) 1 calc R U P S 1
O1N O 0.6150(17) 1.0306(13) 0.4910(13) 0.154(9) Uiso 0.497(11) 1 d . . P S 2
C2N C 0.594(2) 1.0336(19) 0.4398(19) 0.152(14) Uiso 0.497(11) 1 d D . P S 2
C3N C 0.6487(15) 1.0737(12) 0.4196(11) 0.085(7) Uiso 0.497(11) 1 d D . P S 2
H3NA H 0.7067 1.0956 0.4510 0.127 Uiso 0.497(11) 1 calc R U P S 2
H3NB H 0.6274 1.1078 0.4115 0.127 Uiso 0.497(11) 1 calc R U P S 2
H3NC H 0.6488 1.0449 0.3827 0.127 Uiso 0.497(11) 1 calc R U P S 2
C4N C 0.504(2) 1.022(2) 0.426(2) 0.182(18) Uiso 0.497(11) 1 d D . P S 2
H4NA H 0.4691 0.9826 0.3883 0.273 Uiso 0.497(11) 1 calc R U P S 2
H4NB H 0.4931 1.0609 0.4216 0.273 Uiso 0.497(11) 1 calc R U P S 2
H4NC H 0.4906 1.0135 0.4588 0.273 Uiso 0.497(11) 1 calc R U P S 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 '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
C23A Rh1 N1C 91.7(3) . . ?
C23A Rh1 C1E 89.8(3) . . ?
N1C Rh1 C1E 163.4(3) . . ?
C23A Rh1 C2E 91.4(3) . . ?
N1C Rh1 C2E 158.5(3) . . ?
C1E Rh1 C2E 37.9(3) . . ?
C23A Rh1 C6E 154.7(4) . . ?
N1C Rh1 C6E 88.8(3) . . ?
C1E Rh1 C6E 82.8(3) . . ?
C2E Rh1 C6E 97.3(4) . . ?
C23A Rh1 C5E 169.1(4) . . ?
N1C Rh1 C5E 92.4(3) . . ?
C1E Rh1 C5E 89.1(3) . . ?
C2E Rh1 C5E 81.1(3) . . ?
C6E Rh1 C5E 35.6(4) . . ?
C26A Rh2 N1D 89.5(3) . . ?
C26A Rh2 C2F 91.4(4) . . ?
N1D Rh2 C2F 160.7(4) . . ?
C26A Rh2 C1F 90.9(4) . . ?
N1D Rh2 C1F 161.6(4) . . ?
C2F Rh2 C1F 37.7(5) . . ?
C26A Rh2 C6F 159.9(5) . . ?
N1D Rh2 C6F 90.6(4) . . ?
C2F Rh2 C6F 95.0(5) . . ?
C1F Rh2 C6F 82.7(4) . . ?
C26A Rh2 C5F 164.1(5) . . ?
N1D Rh2 C5F 92.3(4) . . ?
C2F Rh2 C5F 81.7(5) . . ?
C1F Rh2 C5F 92.3(5) . . ?
C6F Rh2 C5F 36.0(5) . . ?
C23B Rh3 N10D 91.9(3) . . ?
C23B Rh3 C6G 89.6(4) . . ?
N10D Rh3 C6G 159.5(4) . . ?
C23B Rh3 C5G 93.2(3) . . ?
N10D Rh3 C5G 161.9(4) . . ?
C6G Rh3 C5G 38.1(4) . . ?
C23B Rh3 C1G 163.9(6) . . ?
N10D Rh3 C1G 90.2(3) . . ?
C6G Rh3 C1G 83.0(4) . . ?
C5G Rh3 C1G 89.7(4) . . ?
C23B Rh3 C2G 160.6(5) . . ?
N10D Rh3 C2G 88.2(4) . . ?
C6G Rh3 C2G 97.1(4) . . ?
C5G Rh3 C2G 81.3(4) . . ?
C1G Rh3 C2G 35.4(5) . . ?
C26B Rh4 N10C 89.1(3) . . ?
C26B Rh4 C2H 92.9(4) . . ?
N10C Rh4 C2H 166.3(4) . . ?
C26B Rh4 C1H 92.3(4) . . ?
N10C Rh4 C1H 155.9(4) . . ?
C2H Rh4 C1H 37.6(4) . . ?
C26B Rh4 C5H 157.1(5) . . ?
N10C Rh4 C5H 91.6(3) . . ?
C2H Rh4 C5H 81.3(4) . . ?
C1H Rh4 C5H 96.3(4) . . ?
C26B Rh4 C6H 168.0(5) . . ?
N10C Rh4 C6H 92.2(3) . . ?
C2H Rh4 C6H 88.7(4) . . ?
C1H Rh4 C6H 81.7(4) . . ?
C5H Rh4 C6H 34.8(4) . . ?
C6A C1A C2A 123.1(7) . . ?
C6A C1A C5A 124.9(7) . . ?
C2A C1A C5A 107.9(7) . . ?
C9A C2A C1A 123.2(7) . . ?
C9A C2A C3A 125.2(7) . . ?
C1A C2A C3A 107.6(7) . . ?
C12A C3A C4A 123.3(8) . . ?
C12A C3A C2A 125.8(8) . . ?
C4A C3A C2A 107.4(7) . . ?
C5A C4A C15A 122.8(9) . . ?
C5A C4A C3A 109.8(7) . . ?
C15A C4A C3A 122.8(8) . . ?
C18A C5A C4A 124.2(8) . . ?
C18A C5A C1A 124.6(7) . . ?
C4A C5A C1A 107.2(7) . . ?
C1A C6A C7A 113.9(7) . . ?
C1A C6A C20A 110.8(7) . . ?
C7A C6A C20A 134.4(7) . . ?
C8A C7A C6A 122.9(7) . . ?
C8A C7A H7AA 118.6 . . ?
C6A C7A H7AA 118.6 . . ?
C7A C8A C9A 121.1(7) . . ?
C7A C8A H8AA 119.4 . . ?
C9A C8A H8AA 119.4 . . ?
C2A C9A C10A 110.9(7) . . ?
C2A C9A C8A 114.5(7) . . ?
C10A C9A C8A 134.2(8) . . ?
N24A C10A C11A 106.6(7) . . ?
N24A C10A C9A 130.6(7) . . ?
C11A C10A C9A 122.8(8) . . ?
N25A C11A C10A 105.9(7) . . ?
N25A C11A C12A 129.8(7) . . ?
C10A C11A C12A 124.3(7) . . ?
C3A C12A C13A 115.6(8) . . ?
C3A C12A C11A 109.4(7) . . ?
C13A C12A C11A 134.1(7) . . ?
C14A C13A C12A 121.6(8) . . ?
C14A C13A H13A 119.2 . . ?
C12A C13A H13A 119.2 . . ?
C13A C14A C15A 122.9(8) . . ?
C13A C14A H14A 118.5 . . ?
C15A C14A H14A 118.5 . . ?
C4A C15A C16A 113.4(8) . . ?
C4A C15A C14A 113.0(9) . . ?
C16A C15A C14A 132.3(9) . . ?
C17A C16A C15A 123.8(8) . . ?
C17A C16A H16A 118.1 . . ?
C15A C16A H16A 118.1 . . ?
C16A C17A C18A 121.6(9) . . ?
C16A C17A H17A 119.2 . . ?
C18A C17A H17A 119.2 . . ?
C5A C18A C19A 111.0(7) . . ?
C5A C18A C17A 113.5(8) . . ?
C19A C18A C17A 134.5(8) . . ?
N21A C19A C20A 105.8(7) . . ?
N21A C19A C18A 130.3(7) . . ?
C20A C19A C18A 123.6(7) . . ?
N22A C20A C19A 105.9(6) . . ?
N22A C20A C6A 130.3(7) . . ?
C19A C20A C6A 123.8(7) . . ?
C23A N21A C19A 110.8(6) . . ?
C23A N21A C27A 124.5(7) . . ?
C19A N21A C27A 124.5(7) . . ?
C23A N22A C20A 110.9(6) . . ?
C23A N22A C31A 124.5(6) . . ?
C20A N22A C31A 124.3(6) . . ?
N22A C23A N21A 106.6(7) . . ?
N22A C23A Rh1 129.7(6) . . ?
N21A C23A Rh1 123.4(6) . . ?
C26A N24A C10A 110.8(7) . . ?
C26A N24A C35A 123.9(7) . . ?
C10A N24A C35A 125.2(6) . . ?
C26A N25A C11A 110.6(7) . . ?
C26A N25A C39A 125.0(8) . . ?
C11A N25A C39A 124.1(8) . . ?
N24A C26A N25A 106.1(7) . . ?
N24A C26A Rh2 128.1(7) . . ?
N25A C26A Rh2 125.7(6) . . ?
N21A C27A C28A 115.3(7) . . ?
N21A C27A H27A 108.5 . . ?
C28A C27A H27A 108.5 . . ?
N21A C27A H27B 108.5 . . ?
C28A C27A H27B 108.5 . . ?
H27A C27A H27B 107.5 . . ?
C27A C28A C29A 111.9(8) . . ?
C27A C28A H28A 109.2 . . ?
C29A C28A H28A 109.2 . . ?
C27A C28A H28B 109.2 . . ?
C29A C28A H28B 109.2 . . ?
H28A C28A H28B 107.9 . . ?
C30A C29A C28A 114.1(11) . . ?
C30A C29A H29A 108.7 . . ?
C28A C29A H29A 108.7 . . ?
C30A C29A H29B 108.7 . . ?
C28A C29A H29B 108.7 . . ?
H29A C29A H29B 107.6 . . ?
C29A C30A H30D 109.5 . . ?
C29A C30A H30E 109.5 . . ?
H30D C30A H30E 109.5 . . ?
C29A C30A H30F 109.5 . . ?
H30D C30A H30F 109.5 . . ?
H30E C30A H30F 109.5 . . ?
N22A C31A C32A 112.3(6) . . ?
N22A C31A H31C 109.1 . . ?
C32A C31A H31C 109.1 . . ?
N22A C31A H31D 109.1 . . ?
C32A C31A H31D 109.1 . . ?
H31C C31A H31D 107.9 . . ?
C33A C32A C31A 111.4(6) . . ?
C33A C32A H32C 109.3 . . ?
C31A C32A H32C 109.3 . . ?
C33A C32A H32D 109.3 . . ?
C31A C32A H32D 109.3 . . ?
H32C C32A H32D 108.0 . . ?
C34A C33A C32A 114.0(7) . . ?
C34A C33A H33C 108.7 . . ?
C32A C33A H33C 108.7 . . ?
C34A C33A H33D 108.7 . . ?
C32A C33A H33D 108.7 . . ?
H33C C33A H33D 107.6 . . ?
C33A C34A H34D 109.5 . . ?
C33A C34A H34E 109.5 . . ?
H34D C34A H34E 109.5 . . ?
C33A C34A H34F 109.5 . . ?
H34D C34A H34F 109.5 . . ?
H34E C34A H34F 109.5 . . ?
N24A C35A C36A 112.8(6) . . ?
N24A C35A H35C 109.0 . . ?
C36A C35A H35C 109.0 . . ?
N24A C35A H35D 109.0 . . ?
C36A C35A H35D 109.0 . . ?
H35C C35A H35D 107.8 . . ?
C37A C36A C35A 112.2(7) . . ?
C37A C36A H36C 109.2 . . ?
C35A C36A H36C 109.2 . . ?
C37A C36A H36D 109.2 . . ?
C35A C36A H36D 109.2 . . ?
H36C C36A H36D 107.9 . . ?
C38A C37A C36A 112.4(8) . . ?
C38A C37A H37C 109.1 . . ?
C36A C37A H37C 109.1 . . ?
C38A C37A H37D 109.1 . . ?
C36A C37A H37D 109.1 . . ?
H37C C37A H37D 107.9 . . ?
C37A C38A H38A 109.5 . . ?
C37A C38A H38B 109.5 . . ?
H38A C38A H38B 109.5 . . ?
C37A C38A H38C 109.5 . . ?
H38A C38A H38C 109.5 . . ?
H38B C38A H38C 109.5 . . ?
N25A C39A C40A 111.9(8) . . ?
N25A C39A H39A 109.2 . . ?
C40A C39A H39A 109.2 . . ?
N25A C39A H39B 109.2 . . ?
C40A C39A H39B 109.2 . . ?
H39A C39A H39B 107.9 . . ?
C39A C40A C41A 112.9(10) . . ?
C39A C40A H40A 109.0 . . ?
C41A C40A H40A 109.0 . . ?
C39A C40A H40B 109.0 . . ?
C41A C40A H40B 109.0 . . ?
H40A C40A H40B 107.8 . . ?
C42A C41A C40A 101.9(19) . . ?
C42A C41A H41A 111.4 . . ?
C40A C41A H41A 111.4 . . ?
C42A C41A H41B 111.4 . . ?
C40A C41A H41B 111.4 . . ?
H41A C41A H41B 109.3 . . ?
C41A C42A H42A 109.5 . . ?
C41A C42A H42B 109.5 . . ?
H42A C42A H42B 109.5 . . ?
C41A C42A H42C 109.5 . . ?
H42A C42A H42C 109.5 . . ?
H42B C42A H42C 109.5 . . ?
C6B C1B C2B 122.9(8) . . ?
C6B C1B C5B 125.2(8) . . ?
C2B C1B C5B 107.9(8) . . ?
C9B C2B C1B 123.1(8) . . ?
C9B C2B C3B 124.8(8) . . ?
C1B C2B C3B 108.2(8) . . ?
C12B C3B C2B 125.8(8) . . ?
C12B C3B C4B 122.6(8) . . ?
C2B C3B C4B 108.0(8) . . ?
C15B C4B C5B 125.4(9) . . ?
C15B C4B C3B 122.9(9) . . ?
C5B C4B C3B 107.4(8) . . ?
C18B C5B C4B 122.2(8) . . ?
C18B C5B C1B 125.2(9) . . ?
C4B C5B C1B 108.5(8) . . ?
C1B C6B C7B 114.0(8) . . ?
C1B C6B C20B 109.9(8) . . ?
C7B C6B C20B 135.3(8) . . ?
C8B C7B C6B 121.4(8) . . ?
C8B C7B H7BA 119.3 . . ?
C6B C7B H7BA 119.3 . . ?
C7B C8B C9B 122.7(8) . . ?
C7B C8B H8BA 118.6 . . ?
C9B C8B H8BA 118.6 . . ?
C2B C9B C8B 114.4(8) . . ?
C2B C9B C10B 111.0(7) . . ?
C8B C9B C10B 134.3(8) . . ?
N24B C10B C11B 105.4(7) . . ?
N24B C10B C9B 131.3(8) . . ?
C11B C10B C9B 123.3(8) . . ?
N25B C11B C10B 105.6(7) . . ?
N25B C11B C12B 131.2(8) . . ?
C10B C11B C12B 123.2(8) . . ?
C3B C12B C11B 110.4(8) . . ?
C3B C12B C13B 114.5(8) . . ?
C11B C12B C13B 133.7(8) . . ?
C14B C13B C12B 122.1(9) . . ?
C14B C13B H13B 118.9 . . ?
C12B C13B H13B 118.9 . . ?
C13B C14B C15B 122.8(8) . . ?
C13B C14B H14B 118.6 . . ?
C15B C14B H14B 118.6 . . ?
C4B C15B C14B 114.6(9) . . ?
C4B C15B C16B 112.9(9) . . ?
C14B C15B C16B 131.0(8) . . ?
C17B C16B C15B 121.7(8) . . ?
C17B C16B H16B 119.2 . . ?
C15B C16B H16B 119.2 . . ?
C16B C17B C18B 123.4(9) . . ?
C16B C17B H17B 118.3 . . ?
C18B C17B H17B 118.3 . . ?
C5B C18B C17B 114.1(9) . . ?
C5B C18B C19B 110.0(8) . . ?
C17B C18B C19B 134.1(9) . . ?
C20B C19B N21B 108.1(8) . . ?
C20B C19B C18B 123.8(8) . . ?
N21B C19B C18B 128.1(8) . . ?
C19B C20B N22B 105.5(7) . . ?
C19B C20B C6B 124.9(8) . . ?
N22B C20B C6B 129.6(8) . . ?
C23B N21B C19B 109.9(7) . . ?
C23B N21B C27B 125.1(8) . . ?
C19B N21B C27B 124.8(9) . . ?
C23B N22B C20B 110.1(8) . . ?
C23B N22B C31B 123.4(8) . . ?
C20B N22B C31B 126.2(7) . . ?
N21B C23B N22B 106.3(8) . . ?
N21B C23B Rh3 125.2(6) . . ?
N22B C23B Rh3 128.5(8) . . ?
C26B N24B C10B 111.1(7) . . ?
C26B N24B C35B 123.5(7) . . ?
C10B N24B C35B 125.0(7) . . ?
C26B N25B C11B 112.3(7) . . ?
C26B N25B C39B 123.2(8) . . ?
C11B N25B C39B 124.3(8) . . ?
N25B C26B N24B 105.6(7) . . ?
N25B C26B Rh4 124.1(7) . . ?
N24B C26B Rh4 130.3(7) . . ?
N21B C27B C28B 113.3(8) . . ?
N21B C27B H27C 108.9 . . ?
C28B C27B H27C 108.9 . . ?
N21B C27B H27D 108.9 . . ?
C28B C27B H27D 108.9 . . ?
H27C C27B H27D 107.7 . . ?
C27B C28B C29B 106.3(14) . . ?
C27B C28B H28C 110.5 . . ?
C29B C28B H28C 110.5 . . ?
C27B C28B H28D 110.5 . . ?
C29B C28B H28D 110.5 . . ?
H28C C28B H28D 108.7 . . ?
C30B C29B C28B 117.3(19) . . ?
C30B C29B H29C 108.0 . . ?
C28B C29B H29C 108.0 . . ?
C30B C29B H29D 108.0 . . ?
C28B C29B H29D 108.0 . . ?
H29C C29B H29D 107.2 . . ?
C29B C30B H30A 109.5 . . ?
C29B C30B H30B 109.5 . . ?
H30A C30B H30B 109.5 . . ?
C29B C30B H30C 109.5 . . ?
H30A C30B H30C 109.5 . . ?
H30B C30B H30C 109.5 . . ?
N22B C31B C32B 111.0(7) . . ?
N22B C31B H31A 109.4 . . ?
C32B C31B H31A 109.4 . . ?
N22B C31B H31B 109.4 . . ?
C32B C31B H31B 109.4 . . ?
H31A C31B H31B 108.0 . . ?
C31B C32B C33B 113.3(10) . . ?
C31B C32B H32A 108.9 . . ?
C33B C32B H32A 108.9 . . ?
C31B C32B H32B 108.9 . . ?
C33B C32B H32B 108.9 . . ?
H32A C32B H32B 107.7 . . ?
C34B C33B C32B 120.2(16) . . ?
C34B C33B H33A 107.3 . . ?
C32B C33B H33A 107.3 . . ?
C34B C33B H33B 107.3 . . ?
C32B C33B H33B 107.3 . . ?
H33A C33B H33B 106.9 . . ?
C33B C34B H34A 109.5 . . ?
C33B C34B H34B 109.5 . . ?
H34A C34B H34B 109.5 . . ?
C33B C34B H34C 109.5 . . ?
H34A C34B H34C 109.5 . . ?
H34B C34B H34C 109.5 . . ?
N24B C35B C36B 111.9(6) . . ?
N24B C35B H35A 109.2 . . ?
C36B C35B H35A 109.2 . . ?
N24B C35B H35B 109.2 . . ?
C36B C35B H35B 109.2 . . ?
H35A C35B H35B 107.9 . . ?
C35B C36B C37B 111.3(7) . . ?
C35B C36B H36A 109.4 . . ?
C37B C36B H36A 109.4 . . ?
C35B C36B H36B 109.4 . . ?
C37B C36B H36B 109.4 . . ?
H36A C36B H36B 108.0 . . ?
C36B C37B C38B 110.4(9) . . ?
C36B C37B H37A 109.6 . . ?
C38B C37B H37A 109.6 . . ?
C36B C37B H37B 109.6 . . ?
C38B C37B H37B 109.6 . . ?
H37A C37B H37B 108.1 . . ?
C37B C38B H38D 109.5 . . ?
C37B C38B H38E 109.5 . . ?
H38D C38B H38E 109.5 . . ?
C37B C38B H38F 109.5 . . ?
H38D C38B H38F 109.5 . . ?
H38E C38B H38F 109.5 . . ?
N25B C39B C40B 113.3(7) . . ?
N25B C39B H39C 108.9 . . ?
C40B C39B H39C 108.9 . . ?
N25B C39B H39D 108.9 . . ?
C40B C39B H39D 108.9 . . ?
H39C C39B H39D 107.7 . . ?
C41B C40B C39B 109.4(8) . . ?
C41B C40B H40C 109.8 . . ?
C39B C40B H40C 109.8 . . ?
C41B C40B H40D 109.8 . . ?
C39B C40B H40D 109.8 . . ?
H40C C40B H40D 108.2 . . ?
C42B C41B C40B 107.5(9) . . ?
C42B C41B H41C 110.2 . . ?
C40B C41B H41C 110.2 . . ?
C42B C41B H41D 110.2 . . ?
C40B C41B H41D 110.2 . . ?
H41C C41B H41D 108.5 . . ?
C41B C42B H42D 109.5 . . ?
C41B C42B H42E 109.5 . . ?
H42D C42B H42E 109.5 . . ?
C41B C42B H42F 109.5 . . ?
H42D C42B H42F 109.5 . . ?
H42E C42B H42F 109.5 . . ?
C5C C4C C3C 115.8(7) . . ?
C5C C4C C7C 123.0(8) . . ?
C3C C4C C7C 121.1(7) . . ?
C2C C3C C4C 118.7(8) . . ?
C2C C3C H3CA 120.7 . . ?
C4C C3C H3CA 120.7 . . ?
N1C C2C C3C 124.7(8) . . ?
N1C C2C H2CA 117.7 . . ?
C3C C2C H2CA 117.7 . . ?
C6C N1C C2C 116.8(7) . . ?
C6C N1C Rh1 121.0(5) . . ?
C2C N1C Rh1 121.8(5) . . ?
N1C C6C C5C 124.0(8) . . ?
N1C C6C H6CA 118.0 . . ?
C5C C6C H6CA 118.0 . . ?
C4C C5C C6C 120.0(8) . . ?
C4C C5C H5CA 120.0 . . ?
C6C C5C H5CA 120.0 . . ?
C8C C7C C12C 117.3(8) . . ?
C8C C7C C4C 121.6(8) . . ?
C12C C7C C4C 121.1(8) . . ?
C7C C8C C9C 119.7(9) . . ?
C7C C8C H8CA 120.1 . . ?
C9C C8C H8CA 120.1 . . ?
N10C C9C C8C 123.3(9) . . ?
N10C C9C H9CA 118.4 . . ?
C8C C9C H9CA 118.4 . . ?
C9C N10C C11C 118.0(8) . . ?
C9C N10C Rh4 118.3(6) . . ?
C11C N10C Rh4 123.6(7) . . ?
N10C C11C C12C 122.6(10) . . ?
N10C C11C H11A 118.7 . . ?
C12C C11C H11A 118.7 . . ?
C11C C12C C7C 118.8(9) . . ?
C11C C12C H12A 120.6 . . ?
C7C C12C H12A 120.6 . . ?
C6D N1D C2D 116.3(7) . . ?
C6D N1D Rh2 121.4(6) . . ?
C2D N1D Rh2 122.2(6) . . ?
N1D C2D C3D 122.7(8) . . ?
N1D C2D H2DA 118.7 . . ?
C3D C2D H2DA 118.7 . . ?
C4D C3D C2D 119.8(8) . . ?
C4D C3D H3DA 120.1 . . ?
C2D C3D H3DA 120.1 . . ?
C5D C4D C3D 117.8(7) . . ?
C5D C4D C7D 121.4(8) . . ?
C3D C4D C7D 120.7(7) . . ?
C4D C5D C6D 120.2(9) . . ?
C4D C5D H5DA 119.9 . . ?
C6D C5D H5DA 119.9 . . ?
N1D C6D C5D 122.9(9) . . ?
N1D C6D H6DA 118.6 . . ?
C5D C6D H6DA 118.6 . . ?
C12D C7D C8D 115.9(7) . . ?
C12D C7D C4D 121.4(8) . . ?
C8D C7D C4D 122.7(7) . . ?
C9D C8D C7D 119.5(8) . . ?
C9D C8D H8DA 120.2 . . ?
C7D C8D H8DA 120.2 . . ?
N10D C9D C8D 124.9(9) . . ?
N10D C9D H9DA 117.6 . . ?
C8D C9D H9DA 117.6 . . ?
C9D N10D C11D 116.5(7) . . ?
C9D N10D Rh3 123.4(6) . . ?
C11D N10D Rh3 119.6(6) . . ?
N10D C11D C12D 122.0(8) . . ?
N10D C11D H11B 119.0 . . ?
C12D C11D H11B 119.0 . . ?
C7D C12D C11D 121.0(9) . . ?
C7D C12D H12B 119.5 . . ?
C11D C12D H12B 119.5 . . ?
C2E C1E C8E 124.2(9) . . ?
C2E C1E Rh1 71.1(5) . . ?
C8E C1E Rh1 111.9(6) . . ?
C2E C1E H1EA 114.0 . . ?
C8E C1E H1EA 114.0 . . ?
Rh1 C1E H1EA 114.0 . . ?
C1E C2E C3E 126.8(9) . . ?
C1E C2E Rh1 71.0(5) . . ?
C3E C2E Rh1 109.2(5) . . ?
C1E C2E H2EA 113.7 . . ?
C3E C2E H2EA 113.7 . . ?
Rh1 C2E H2EA 113.7 . . ?
C2E C3E C4E 114.0(9) . . ?
C2E C3E H3EA 108.8 . . ?
C4E C3E H3EA 108.8 . . ?
C2E C3E H3EB 108.8 . . ?
C4E C3E H3EB 108.8 . . ?
H3EA C3E H3EB 107.7 . . ?
C3E C4E C5E 111.9(8) . . ?
C3E C4E H4EA 109.2 . . ?
C5E C4E H4EA 109.2 . . ?
C3E C4E H4EB 109.2 . . ?
C5E C4E H4EB 109.2 . . ?
H4EA C4E H4EB 107.9 . . ?
C6E C5E C4E 124.6(9) . . ?
C6E C5E Rh1 71.0(6) . . ?
C4E C5E Rh1 110.8(6) . . ?
C6E C5E H5EA 114.1 . . ?
C4E C5E H5EA 114.1 . . ?
Rh1 C5E H5EA 114.1 . . ?
C5E C6E C7E 125.2(9) . . ?
C5E C6E Rh1 73.4(5) . . ?
C7E C6E Rh1 105.1(6) . . ?
C5E C6E H6EA 114.8 . . ?
C7E C6E H6EA 114.8 . . ?
Rh1 C6E H6EA 114.8 . . ?
C8E C7E C6E 114.9(8) . . ?
C8E C7E H7EA 108.5 . . ?
C6E C7E H7EA 108.5 . . ?
C8E C7E H7EB 108.5 . . ?
C6E C7E H7EB 108.5 . . ?
H7EA C7E H7EB 107.5 . . ?
C7E C8E C1E 113.0(7) . . ?
C7E C8E H8EA 109.0 . . ?
C1E C8E H8EA 109.0 . . ?
C7E C8E H8EB 109.0 . . ?
C1E C8E H8EB 109.0 . . ?
H8EA C8E H8EB 107.8 . . ?
C2F C1F C8F 125.4(13) . . ?
C2F C1F Rh2 70.8(5) . . ?
C8F C1F Rh2 110.6(7) . . ?
C2F C1F H1FA 114.0 . . ?
C8F C1F H1FA 114.0 . . ?
Rh2 C1F H1FA 114.0 . . ?
C1F C2F C3F 127.2(11) . . ?
C1F C2F Rh2 71.5(5) . . ?
C3F C2F Rh2 111.1(8) . . ?
C1F C2F H2FA 113.1 . . ?
C3F C2F H2FA 113.1 . . ?
Rh2 C2F H2FA 113.1 . . ?
C4F C3F C2F 113.5(12) . . ?
C4F C3F H3FA 108.9 . . ?
C2F C3F H3FA 108.9 . . ?
C4F C3F H3FB 108.9 . . ?
C2F C3F H3FB 108.9 . . ?
H3FA C3F H3FB 107.7 . . ?
C3F C4F C5F 119.5(13) . . ?
C3F C4F H4FA 107.4 . . ?
C5F C4F H4FA 107.4 . . ?
C3F C4F H4FB 107.4 . . ?
C5F C4F H4FB 107.4 . . ?
H4FA C4F H4FB 107.0 . . ?
C6F C5F C4F 124.7(15) . . ?
C6F C5F Rh2 72.0(7) . . ?
C4F C5F Rh2 109.4(9) . . ?
C6F C5F H5FA 114.3 . . ?
C4F C5F H5FA 114.3 . . ?
Rh2 C5F H5FA 114.3 . . ?
C5F C6F C7F 130.2(17) . . ?
C5F C6F Rh2 72.1(6) . . ?
C7F C6F Rh2 106.7(8) . . ?
C5F C6F H6FA 112.9 . . ?
C7F C6F H6FA 112.9 . . ?
Rh2 C6F H6FA 112.9 . . ?
C8F C7F C6F 116.8(13) . . ?
C8F C7F H7FA 108.1 . . ?
C6F C7F H7FA 108.1 . . ?
C8F C7F H7FB 108.1 . . ?
C6F C7F H7FB 108.1 . . ?
H7FA C7F H7FB 107.3 . . ?
C7F C8F C1F 115.2(9) . . ?
C7F C8F H8FA 108.5 . . ?
C1F C8F H8FA 108.5 . . ?
C7F C8F H8FB 108.5 . . ?
C1F C8F H8FB 108.5 . . ?
H8FA C8F H8FB 107.5 . . ?
C2G C1G C8G 125.2(13) . . ?
C2G C1G Rh3 72.5(7) . . ?
C8G C1G Rh3 109.8(7) . . ?
C2G C1G H1GA 113.9 . . ?
C8G C1G H1GA 113.9 . . ?
Rh3 C1G H1GA 113.9 . . ?
C1G C2G C3G 129.4(12) . . ?
C1G C2G Rh3 72.1(8) . . ?
C3G C2G Rh3 109.8(8) . . ?
C1G C2G H2GA 112.5 . . ?
C3G C2G H2GA 112.5 . . ?
Rh3 C2G H2GA 112.5 . . ?
C2G C3G C4G 109.8(11) . . ?
C2G C3G H3GA 109.7 . . ?
C4G C3G H3GA 109.7 . . ?
C2G C3G H3GB 109.7 . . ?
C4G C3G H3GB 109.7 . . ?
H3GA C3G H3GB 108.2 . . ?
C5G C4G C3G 116.4(8) . . ?
C5G C4G H4GA 108.2 . . ?
C3G C4G H4GA 108.2 . . ?
C5G C4G H4GB 108.2 . . ?
C3G C4G H4GB 108.2 . . ?
H4GA C4G H4GB 107.3 . . ?
C6G C5G C4G 125.0(9) . . ?
C6G C5G Rh3 70.2(4) . . ?
C4G C5G Rh3 111.6(5) . . ?
C6G C5G H5GA 114.0 . . ?
C4G C5G H5GA 114.0 . . ?
Rh3 C5G H5GA 114.0 . . ?
C5G C6G C7G 125.5(10) . . ?
C5G C6G Rh3 71.8(5) . . ?
C7G C6G Rh3 108.6(5) . . ?
C5G C6G H6GA 114.2 . . ?
C7G C6G H6GA 114.2 . . ?
Rh3 C6G H6GA 114.2 . . ?
C8G C7G C6G 115.0(9) . . ?
C8G C7G H7GA 108.5 . . ?
C6G C7G H7GA 108.5 . . ?
C8G C7G H7GB 108.5 . . ?
C6G C7G H7GB 108.5 . . ?
H7GA C7G H7GB 107.5 . . ?
C7G C8G C1G 113.5(10) . . ?
C7G C8G H8GA 108.9 . . ?
C1G C8G H8GA 108.9 . . ?
C7G C8G H8GB 108.9 . . ?
C1G C8G H8GB 108.9 . . ?
H8GA C8G H8GB 107.7 . . ?
C2H C1H C8H 124.5(11) . . ?
C2H C1H Rh4 70.9(5) . . ?
C8H C1H Rh4 109.6(6) . . ?
C2H C1H H1HA 114.5 . . ?
C8H C1H H1HA 114.5 . . ?
Rh4 C1H H1HA 114.5 . . ?
C1H C2H C3H 122.9(12) . . ?
C1H C2H Rh4 71.5(5) . . ?
C3H C2H Rh4 113.1(6) . . ?
C1H C2H H2HA 114.1 . . ?
C3H C2H H2HA 114.1 . . ?
Rh4 C2H H2HA 114.1 . . ?
C2H C3H C4H 113.7(9) . . ?
C2H C3H H3HA 108.8 . . ?
C4H C3H H3HA 108.8 . . ?
C2H C3H H3HB 108.8 . . ?
C4H C3H H3HB 108.8 . . ?
H3HA C3H H3HB 107.7 . . ?
C3H C4H C5H 108.5(11) . . ?
C3H C4H H4HA 110.0 . . ?
C5H C4H H4HA 110.0 . . ?
C3H C4H H4HB 110.0 . . ?
C5H C4H H4HB 110.0 . . ?
H4HA C4H H4HB 108.4 . . ?
C6H C5H C4H 129.2(13) . . ?
C6H C5H Rh4 75.2(7) . . ?
C4H C5H Rh4 107.8(7) . . ?
C6H C5H H5HA 112.4 . . ?
C4H C5H H5HA 112.4 . . ?
Rh4 C5H H5HA 112.4 . . ?
C5H C6H C7H 124.3(12) . . ?
C5H C6H Rh4 70.0(7) . . ?
C7H C6H Rh4 110.8(7) . . ?
C5H C6H H6HA 114.4 . . ?
C7H C6H H6HA 114.4 . . ?
Rh4 C6H H6HA 114.4 . . ?
C6H C7H C8H 113.1(10) . . ?
C6H C7H H7HA 109.0 . . ?
C8H C7H H7HA 109.0 . . ?
C6H C7H H7HB 109.0 . . ?
C8H C7H H7HB 109.0 . . ?
H7HA C7H H7HB 107.8 . . ?
C7H C8H C1H 114.6(11) . . ?
C7H C8H H8HA 108.6 . . ?
C1H C8H H8HA 108.6 . . ?
C7H C8H H8HB 108.6 . . ?
C1H C8H H8HB 108.6 . . ?
H8HA C8H H8HB 107.6 . . ?
F15 P10 F11 177.9(4) . . ?
F15 P10 F12 89.8(3) . . ?
F11 P10 F12 91.0(3) . . ?
F15 P10 F14 88.8(4) . . ?
F11 P10 F14 89.3(3) . . ?
F12 P10 F14 89.3(3) . . ?
F15 P10 F13 90.3(4) . . ?
F11 P10 F13 89.0(3) . . ?
F12 P10 F13 179.9(5) . . ?
F14 P10 F13 90.7(4) . . ?
F15 P10 F16 92.5(4) . . ?
F11 P10 F16 89.4(3) . . ?
F12 P10 F16 89.9(3) . . ?
F14 P10 F16 178.5(4) . . ?
F13 P10 F16 90.0(4) . . ?
F25 P20 F21 87.4(8) . . ?
F25 P20 F26 177.5(10) . . ?
F21 P20 F26 92.1(7) . . ?
F25 P20 F22 92.2(9) . . ?
F21 P20 F22 89.2(7) . . ?
F26 P20 F22 85.4(8) . . ?
F25 P20 F23 92.0(11) . . ?
F21 P20 F23 176.6(12) . . ?
F26 P20 F23 88.3(11) . . ?
F22 P20 F23 87.4(11) . . ?
F25 P20 F24 92.2(9) . . ?
F21 P20 F24 89.3(9) . . ?
F26 P20 F24 90.2(8) . . ?
F22 P20 F24 175.3(8) . . ?
F23 P20 F24 94.1(12) . . ?
F35 P30 F32 89.8(5) . . ?
F35 P30 F31 178.6(7) . . ?
F32 P30 F31 90.7(4) . . ?
F35 P30 F36 90.7(9) . . ?
F32 P30 F36 89.6(7) . . ?
F31 P30 F36 88.0(6) . . ?
F35 P30 F33 92.5(9) . . ?
F32 P30 F33 90.2(5) . . ?
F31 P30 F33 88.7(5) . . ?
F36 P30 F33 176.7(7) . . ?
F35 P30 F34 90.7(5) . . ?
F32 P30 F34 178.5(8) . . ?
F31 P30 F34 88.7(5) . . ?
F36 P30 F34 89.0(8) . . ?
F33 P30 F34 91.1(7) . . ?
F43 P40 F44 84.4(9) . . ?
F43 P40 F41 168.0(13) . . ?
F44 P40 F41 94.2(10) . . ?
F43 P40 F45 93.8(8) . . ?
F44 P40 F45 176.8(13) . . ?
F41 P40 F45 88.1(7) . . ?
F43 P40 F46 102.1(12) . . ?
F44 P40 F46 87.6(9) . . ?
F41 P40 F46 89.7(9) . . ?
F45 P40 F46 90.2(8) . . ?
F43 P40 F42 83.0(8) . . ?
F44 P40 F42 87.7(10) . . ?
F41 P40 F42 85.0(10) . . ?
F45 P40 F42 94.7(8) . . ?
F46 P40 F42 172.7(12) . . ?
C6 C1 C2 118.3(16) . . ?
C6 C1 C5 121.5(15) . . ?
C2 C1 C5 109.3(13) . . ?
C1 C2 C9 125.0(13) . . ?
C1 C2 C3 107.5(12) . . ?
C9 C2 C3 115.1(10) . . ?
C12 C3 C4 127.4(14) . . ?
C12 C3 C2 114.3(11) . . ?
C4 C3 C2 106.9(14) . . ?
C15 C4 C3 117.2(18) . . ?
C15 C4 C5 121(2) . . ?
C3 C4 C5 109.6(16) . . ?
C18 C5 C4 127.6(16) . . ?
C18 C5 C1 113.7(14) . . ?
C4 C5 C1 106.7(15) . . ?
C1 C6 C7 122.2(15) . . ?
C1 C6 C20 121.9(14) . . ?
C7 C6 C20 103.8(9) . . ?
C8 C7 C22 120.7(11) . . ?
C8 C7 C6 118.5(10) . . ?
C22 C7 C6 108.5(11) . . ?
C7 C8 C25 119.6(11) . . ?
C7 C8 C9 118.3(11) . . ?
C25 C8 C9 110.0(12) . . ?
C10 C9 C2 124.0(11) . . ?
C10 C9 C8 105.1(11) . . ?
C2 C9 C8 117.7(11) . . ?
C11 C10 C9 119.0(14) . . ?
C11 C10 C26 120.0(15) . . ?
C9 C10 C26 109.6(13) . . ?
C12 C11 C10 120.0(16) . . ?
C12 C11 C29 112.8(14) . . ?
C10 C11 C29 116.7(18) . . ?
C3 C12 C11 127.2(12) . . ?
C3 C12 C13 112.5(12) . . ?
C11 C12 C13 106.5(12) . . ?
C30 C13 C14 119.0(13) . . ?
C30 C13 C12 108.9(13) . . ?
C14 C13 C12 121.3(12) . . ?
C13 C14 C33 124.3(11) . . ?
C13 C14 C15 115.0(11) . . ?
C33 C14 C15 106.7(10) . . ?
C4 C15 C14 126.6(19) . . ?
C4 C15 C16 118.0(19) . . ?
C14 C15 C16 105.6(9) . . ?
C17 C16 C34 120.9(12) . . ?
C17 C16 C15 121.3(12) . . ?
C34 C16 C15 103.9(10) . . ?
C37 C17 C16 123.0(14) . . ?
C37 C17 C18 109.2(15) . . ?
C16 C17 C18 117.6(17) . . ?
C5 C18 C19 132.9(17) . . ?
C5 C18 C17 114.4(14) . . ?
C19 C18 C17 99.7(17) . . ?
C38 C19 C18 126(2) . . ?
C38 C19 C20 107.0(18) . . ?
C18 C19 C20 116.6(14) . . ?
C21 C20 C6 108.6(11) . . ?
C21 C20 C19 124.3(12) . . ?
C6 C20 C19 113.0(12) . . ?
C20 C21 C40 116.0(11) . . ?
C20 C21 C22 109.7(10) . . ?
C40 C21 C22 122.7(12) . . ?
C23 C22 C7 119.9(11) . . ?
C23 C22 C21 116.6(10) . . ?
C7 C22 C21 109.3(10) . . ?
C22 C23 C24 119.6(10) . . ?
C22 C23 C42 117.1(11) . . ?
C24 C23 C42 112.2(10) . . ?
C23 C24 C25 121.1(11) . . ?
C23 C24 C44 111.3(11) . . ?
C25 C24 C44 114.4(11) . . ?
C26 C25 C24 121.6(12) . . ?
C26 C25 C8 107.2(12) . . ?
C24 C25 C8 119.1(12) . . ?
C27 C26 C25 118.5(15) . . ?
C27 C26 C10 123.2(15) . . ?
C25 C26 C10 108.0(14) . . ?
C26 C27 C45 123.1(17) . . ?
C26 C27 C28 119.1(17) . . ?
C45 C27 C28 104.3(18) . . ?
C47 C28 C29 121.6(19) . . ?
C47 C28 C27 112.4(19) . . ?
C29 C28 C27 115.7(17) . . ?
C28 C29 C11 125.1(15) . . ?
C28 C29 C30 120.5(13) . . ?
C11 C29 C30 100.6(13) . . ?
C13 C30 C31 119.3(14) . . ?
C13 C30 C29 111.1(12) . . ?
C31 C30 C29 116.9(11) . . ?
C30 C31 C32 122.0(11) . . ?
C30 C31 C48 115.4(12) . . ?
C32 C31 C48 110.3(10) . . ?
C33 C32 C31 118.6(10) . . ?
C33 C32 C50 119.4(11) . . ?
C31 C32 C50 110.5(10) . . ?
C32 C33 C34 120.4(11) . . ?
C32 C33 C14 116.6(11) . . ?
C34 C33 C14 111.0(10) . . ?
C33 C34 C35 119.7(10) . . ?
C33 C34 C16 112.7(10) . . ?
C35 C34 C16 116.5(10) . . ?
C51 C35 C34 122.0(11) . . ?
C51 C35 C36 109.8(10) . . ?
C34 C35 C36 115.1(10) . . ?
C37 C36 C35 122.5(13) . . ?
C37 C36 C53 119.5(18) . . ?
C35 C36 C53 106.6(17) . . ?
C36 C37 C17 122.0(15) . . ?
C36 C37 C38 119.7(17) . . ?
C17 C37 C38 106.6(15) . . ?
C19 C38 C39 139(2) . . ?
C19 C38 C37 98.3(17) . . ?
C39 C38 C37 110.0(19) . . ?
C38 C39 C40 114.4(15) . . ?
C38 C39 C54 127.8(15) . . ?
C40 C39 C54 103.6(11) . . ?
C41 C40 C21 121.1(15) . . ?
C41 C40 C39 109.7(12) . . ?
C21 C40 C39 118.0(12) . . ?
C40 C41 C42 118.8(14) . . ?
C40 C41 C55 109.1(14) . . ?
C42 C41 C55 120.4(14) . . ?
C41 C42 C23 123.5(12) . . ?
C41 C42 C43 116.9(11) . . ?
C23 C42 C43 105.7(11) . . ?
C57 C43 C42 117(2) . . ?
C57 C43 C44 126(2) . . ?
C42 C43 C44 105.0(11) . . ?
C45 C44 C24 121.6(13) . . ?
C45 C44 C43 120.2(13) . . ?
C24 C44 C43 105.8(13) . . ?
C44 C45 C27 120.6(15) . . ?
C44 C45 C46 116.9(18) . . ?
C27 C45 C46 111.2(16) . . ?
C58 C46 C47 128.7(17) . . ?
C58 C46 C45 116.5(16) . . ?
C47 C46 C45 101.6(17) . . ?
C28 C47 C48 123(2) . . ?
C28 C47 C46 110.4(16) . . ?
C48 C47 C46 115.6(18) . . ?
C47 C48 C31 122.8(15) . . ?
C47 C48 C49 118.0(15) . . ?
C31 C48 C49 106.5(10) . . ?
C59 C49 C50 119.3(16) . . ?
C59 C49 C48 122.2(15) . . ?
C50 C49 C48 105.2(10) . . ?
C51 C50 C32 121.5(11) . . ?
C51 C50 C49 119.3(11) . . ?
C32 C50 C49 107.5(11) . . ?
C50 C51 C35 117.1(10) . . ?
C50 C51 C52 117.3(12) . . ?
C35 C51 C52 112.9(12) . . ?
C60 C52 C51 117.6(12) . . ?
C60 C52 C53 125.1(11) . . ?
C51 C52 C53 104.2(12) . . ?
C54 C53 C36 131(3) . . ?
C54 C53 C52 111(2) . . ?
C36 C53 C52 106.4(15) . . ?
C53 C54 C55 135(3) . . ?
C53 C54 C39 111(2) . . ?
C55 C54 C39 103.6(17) . . ?
C54 C55 C56 121.6(16) . . ?
C54 C55 C41 113.9(16) . . ?
C56 C55 C41 112.6(13) . . ?
C57 C56 C55 121.4(19) . . ?
C57 C56 C60 114(2) . . ?
C55 C56 C60 112.0(11) . . ?
C56 C57 C43 132(3) . . ?
C56 C57 C58 106.6(17) . . ?
C43 C57 C58 112(3) . . ?
C46 C58 C57 127.1(18) . . ?
C46 C58 C59 113.4(17) . . ?
C57 C58 C59 104.2(19) . . ?
C60 C59 C49 118.9(19) . . ?
C60 C59 C58 109.1(17) . . ?
C49 C59 C58 121.7(19) . . ?
C59 C60 C52 127.5(15) . . ?
C59 C60 C56 105.8(15) . . ?
C52 C60 C56 114.0(13) . . ?
O1I C2I C3I 120.8(13) . . ?
O1I C2I C4I 118.7(16) . . ?
C3I C2I C4I 120.4(16) . . ?
C2I C3I H3IA 109.5 . . ?
C2I C3I H3IB 109.5 . . ?
H3IA C3I H3IB 109.5 . . ?
C2I C3I H3IC 109.5 . . ?
H3IA C3I H3IC 109.5 . . ?
H3IB C3I H3IC 109.5 . . ?
C2I C4I H4IA 109.5 . . ?
C2I C4I H4IB 109.5 . . ?
H4IA C4I H4IB 109.5 . . ?
C2I C4I H4IC 109.5 . . ?
H4IA C4I H4IC 109.5 . . ?
H4IB C4I H4IC 109.5 . . ?
O1J C2J C4J 117.3(14) . . ?
O1J C2J C3J 120.4(14) . . ?
C4J C2J C3J 122.1(13) . . ?
C2J C3J H3JA 109.5 . . ?
C2J C3J H3JB 109.5 . . ?
H3JA C3J H3JB 109.5 . . ?
C2J C3J H3JC 109.5 . . ?
H3JA C3J H3JC 109.5 . . ?
H3JB C3J H3JC 109.5 . . ?
C2J C4J H4JA 109.5 . . ?
C2J C4J H4JB 109.5 . . ?
H4JA C4J H4JB 109.5 . . ?
C2J C4J H4JC 109.5 . . ?
H4JA C4J H4JC 109.5 . . ?
H4JB C4J H4JC 109.5 . . ?
O1K C2K C4K 120.0(12) . . ?
O1K C2K C3K 124.6(13) . . ?
C4K C2K C3K 115.3(10) . . ?
C2K C3K H3KA 109.5 . . ?
C2K C3K H3KB 109.5 . . ?
H3KA C3K H3KB 109.5 . . ?
C2K C3K H3KC 109.5 . . ?
H3KA C3K H3KC 109.5 . . ?
H3KB C3K H3KC 109.5 . . ?
C2K C4K H4KA 109.5 . . ?
C2K C4K H4KB 109.5 . . ?
H4KA C4K H4KB 109.5 . . ?
C2K C4K H4KC 109.5 . . ?
H4KA C4K H4KC 109.5 . . ?
H4KB C4K H4KC 109.5 . . ?
O1L C2L C4L 123(2) . . ?
O1L C2L C3L 117(2) . . ?
C4L C2L C3L 118(2) . . ?
C2L C3L H3LA 109.5 . . ?
C2L C3L H3LB 109.5 . . ?
H3LA C3L H3LB 109.5 . . ?
C2L C3L H3LC 109.5 . . ?
H3LA C3L H3LC 109.5 . . ?
H3LB C3L H3LC 109.5 . . ?
C2L C4L H4LA 109.5 . . ?
C2L C4L H4LB 109.5 . . ?
H4LA C4L H4LB 109.5 . . ?
C2L C4L H4LC 109.5 . . ?
H4LA C4L H4LC 109.5 . . ?
H4LB C4L H4LC 109.5 . . ?
O1M C2M C3M 114.2(19) . . ?
O1M C2M C4M 125(2) . . ?
C3M C2M C4M 121(2) . . ?
C2M C3M H3MA 109.5 . . ?
C2M C3M H3MB 109.5 . . ?
H3MA C3M H3MB 109.5 . . ?
C2M C3M H3MC 109.5 . . ?
H3MA C3M H3MC 109.5 . . ?
H3MB C3M H3MC 109.5 . . ?
C2M C4M H4MA 109.5 . . ?
C2M C4M H4MB 109.5 . . ?
H4MA C4M H4MB 109.5 . . ?
C2M C4M H4MC 109.5 . . ?
H4MA C4M H4MC 109.5 . . ?
H4MB C4M H4MC 109.5 . . ?
O1N C2N C3N 126(3) . . ?
O1N C2N C4N 99(3) . . ?
C3N C2N C4N 127(4) . . ?
C2N C3N H3NA 109.5 . . ?
C2N C3N H3NB 109.5 . . ?
H3NA C3N H3NB 109.5 . . ?
C2N C3N H3NC 109.5 . . ?
H3NA C3N H3NC 109.5 . . ?
H3NB C3N H3NC 109.5 . . ?
C2N C4N H4NA 109.5 . . ?
C2N C4N H4NB 109.5 . . ?
H4NA C4N H4NB 109.5 . . ?
C2N C4N H4NC 109.5 . . ?
H4NA C4N H4NC 109.5 . . ?
H4NB C4N H4NC 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 C23A 2.036(8) . ?
Rh1 N1C 2.106(6) . ?
Rh1 C1E 2.133(8) . ?
Rh1 C2E 2.134(7) . ?
Rh1 C6E 2.189(9) . ?
Rh1 C5E 2.218(9) . ?
Rh2 C26A 2.036(9) . ?
Rh2 N1D 2.082(6) . ?
Rh2 C2F 2.127(8) . ?
Rh2 C1F 2.136(8) . ?
Rh2 C6F 2.201(10) . ?
Rh2 C5F 2.202(12) . ?
Rh3 C23B 2.031(10) . ?
Rh3 N10D 2.084(6) . ?
Rh3 C6G 2.127(8) . ?
Rh3 C5G 2.147(7) . ?
Rh3 C1G 2.201(10) . ?
Rh3 C2G 2.206(13) . ?
Rh4 C26B 2.011(9) . ?
Rh4 N10C 2.104(7) . ?
Rh4 C2H 2.121(8) . ?
Rh4 C1H 2.129(9) . ?
Rh4 C5H 2.177(11) . ?
Rh4 C6H 2.239(10) . ?
C1A C6A 1.380(10) . ?
C1A C2A 1.417(10) . ?
C1A C5A 1.431(11) . ?
C2A C9A 1.357(11) . ?
C2A C3A 1.422(11) . ?
C3A C12A 1.366(11) . ?
C3A C4A 1.404(12) . ?
C4A C5A 1.392(11) . ?
C4A C15A 1.401(12) . ?
C5A C18A 1.379(12) . ?
C6A C7A 1.435(11) . ?
C6A C20A 1.443(10) . ?
C7A C8A 1.377(10) . ?
C7A H7AA 0.9500 . ?
C8A C9A 1.464(11) . ?
C8A H8AA 0.9500 . ?
C9A C10A 1.454(10) . ?
C10A N24A 1.389(10) . ?
C10A C11A 1.394(11) . ?
C11A N25A 1.393(10) . ?
C11A C12A 1.456(12) . ?
C12A C13A 1.418(12) . ?
C13A C14A 1.384(14) . ?
C13A H13A 0.9500 . ?
C14A C15A 1.448(13) . ?
C14A H14A 0.9500 . ?
C15A C16A 1.428(14) . ?
C16A C17A 1.367(13) . ?
C16A H16A 0.9500 . ?
C17A C18A 1.459(12) . ?
C17A H17A 0.9500 . ?
C18A C19A 1.439(11) . ?
C19A N21A 1.399(10) . ?
C19A C20A 1.403(11) . ?
C20A N22A 1.397(9) . ?
N21A C23A 1.352(10) . ?
N21A C27A 1.450(10) . ?
N22A C23A 1.348(10) . ?
N22A C31A 1.476(10) . ?
N24A C26A 1.351(10) . ?
N24A C35A 1.453(11) . ?
N25A C26A 1.366(12) . ?
N25A C39A 1.458(11) . ?
C27A C28A 1.503(12) . ?
C27A H27A 0.9900 . ?
C27A H27B 0.9900 . ?
C28A C29A 1.542(15) . ?
C28A H28A 0.9900 . ?
C28A H28B 0.9900 . ?
C29A C30A 1.450(15) . ?
C29A H29A 0.9900 . ?
C29A H29B 0.9900 . ?
C30A H30D 0.9800 . ?
C30A H30E 0.9800 . ?
C30A H30F 0.9800 . ?
C31A C32A 1.534(10) . ?
C31A H31C 0.9900 . ?
C31A H31D 0.9900 . ?
C32A C33A 1.533(11) . ?
C32A H32C 0.9900 . ?
C32A H32D 0.9900 . ?
C33A C34A 1.514(12) . ?
C33A H33C 0.9900 . ?
C33A H33D 0.9900 . ?
C34A H34D 0.9800 . ?
C34A H34E 0.9800 . ?
C34A H34F 0.9800 . ?
C35A C36A 1.552(12) . ?
C35A H35C 0.9900 . ?
C35A H35D 0.9900 . ?
C36A C37A 1.538(12) . ?
C36A H36C 0.9900 . ?
C36A H36D 0.9900 . ?
C37A C38A 1.504(14) . ?
C37A H37C 0.9900 . ?
C37A H37D 0.9900 . ?
C38A H38A 0.9800 . ?
C38A H38B 0.9800 . ?
C38A H38C 0.9800 . ?
C39A C40A 1.530(13) . ?
C39A H39A 0.9900 . ?
C39A H39B 0.9900 . ?
C40A C41A 1.539(17) . ?
C40A H40A 0.9900 . ?
C40A H40B 0.9900 . ?
C41A C42A 1.426(17) . ?
C41A H41A 0.9900 . ?
C41A H41B 0.9900 . ?
C42A H42A 0.9800 . ?
C42A H42B 0.9800 . ?
C42A H42C 0.9800 . ?
C1B C6B 1.378(12) . ?
C1B C2B 1.413(12) . ?
C1B C5B 1.423(12) . ?
C2B C9B 1.361(11) . ?
C2B C3B 1.416(12) . ?
C3B C12B 1.366(12) . ?
C3B C4B 1.432(12) . ?
C4B C15B 1.363(12) . ?
C4B C5B 1.413(13) . ?
C5B C18B 1.377(13) . ?
C6B C7B 1.448(12) . ?
C6B C20B 1.453(12) . ?
C7B C8B 1.378(12) . ?
C7B H7BA 0.9500 . ?
C8B C9B 1.430(12) . ?
C8B H8BA 0.9500 . ?
C9B C10B 1.443(11) . ?
C10B N24B 1.407(10) . ?
C10B C11B 1.408(12) . ?
C11B N25B 1.384(11) . ?
C11B C12B 1.442(12) . ?
C12B C13B 1.452(13) . ?
C13B C14B 1.361(13) . ?
C13B H13B 0.9500 . ?
C14B C15B 1.434(13) . ?
C14B H14B 0.9500 . ?
C15B C16B 1.477(14) . ?
C16B C17B 1.361(14) . ?
C16B H16B 0.9500 . ?
C17B C18B 1.452(13) . ?
C17B H17B 0.9500 . ?
C18B C19B 1.465(13) . ?
C19B C20B 1.365(12) . ?
C19B N21B 1.383(11) . ?
C20B N22B 1.398(11) . ?
N21B C23B 1.345(12) . ?
N21B C27B 1.455(12) . ?
N22B C23B 1.367(11) . ?
N22B C31B 1.481(12) . ?
N24B C26B 1.354(11) . ?
N24B C35B 1.462(11) . ?
N25B C26B 1.350(11) . ?
N25B C39B 1.484(11) . ?
C27B C28B 1.476(16) . ?
C27B H27C 0.9900 . ?
C27B H27D 0.9900 . ?
C28B C29B 1.52(2) . ?
C28B H28C 0.9900 . ?
C28B H28D 0.9900 . ?
C29B C30B 1.317(17) . ?
C29B H29C 0.9900 . ?
C29B H29D 0.9900 . ?
C30B H30A 0.9800 . ?
C30B H30B 0.9800 . ?
C30B H30C 0.9800 . ?
C31B C32B 1.537(13) . ?
C31B H31A 0.9900 . ?
C31B H31B 0.9900 . ?
C32B C33B 1.583(19) . ?
C32B H32A 0.9900 . ?
C32B H32B 0.9900 . ?
C33B C34B 1.35(3) . ?
C33B H33A 0.9900 . ?
C33B H33B 0.9900 . ?
C34B H34A 0.9800 . ?
C34B H34B 0.9800 . ?
C34B H34C 0.9800 . ?
C35B C36B 1.517(11) . ?
C35B H35A 0.9900 . ?
C35B H35B 0.9900 . ?
C36B C37B 1.521(14) . ?
C36B H36A 0.9900 . ?
C36B H36B 0.9900 . ?
C37B C38B 1.552(16) . ?
C37B H37A 0.9900 . ?
C37B H37B 0.9900 . ?
C38B H38D 0.9800 . ?
C38B H38E 0.9800 . ?
C38B H38F 0.9800 . ?
C39B C40B 1.545(12) . ?
C39B H39C 0.9900 . ?
C39B H39D 0.9900 . ?
C40B C41B 1.530(13) . ?
C40B H40C 0.9900 . ?
C40B H40D 0.9900 . ?
C41B C42B 1.500(14) . ?
C41B H41C 0.9900 . ?
C41B H41D 0.9900 . ?
C42B H42D 0.9800 . ?
C42B H42E 0.9800 . ?
C42B H42F 0.9800 . ?
C4C C5C 1.386(11) . ?
C4C C3C 1.423(12) . ?
C4C C7C 1.482(10) . ?
C3C C2C 1.364(11) . ?
C3C H3CA 0.9500 . ?
C2C N1C 1.339(11) . ?
C2C H2CA 0.9500 . ?
N1C C6C 1.302(10) . ?
C6C C5C 1.388(11) . ?
C6C H6CA 0.9500 . ?
C5C H5CA 0.9500 . ?
C7C C8C 1.351(13) . ?
C7C C12C 1.405(13) . ?
C8C C9C 1.405(12) . ?
C8C H8CA 0.9500 . ?
C9C N10C 1.295(12) . ?
C9C H9CA 0.9500 . ?
N10C C11C 1.337(13) . ?
C11C C12C 1.389(13) . ?
C11C H11A 0.9500 . ?
C12C H12A 0.9500 . ?
N1D C6D 1.346(12) . ?
N1D C2D 1.354(11) . ?
C2D C3D 1.383(10) . ?
C2D H2DA 0.9500 . ?
C3D C4D 1.370(11) . ?
C3D H3DA 0.9500 . ?
C4D C5D 1.367(12) . ?
C4D C7D 1.469(9) . ?
C5D C6D 1.377(11) . ?
C5D H5DA 0.9500 . ?
C6D H6DA 0.9500 . ?
C7D C12D 1.366(12) . ?
C7D C8D 1.400(12) . ?
C8D C9D 1.373(11) . ?
C8D H8DA 0.9500 . ?
C9D N10D 1.307(11) . ?
C9D H9DA 0.9500 . ?
N10D C11D 1.354(12) . ?
C11D C12D 1.391(11) . ?
C11D H11B 0.9500 . ?
C12D H12B 0.9500 . ?
C1E C2E 1.385(13) . ?
C1E C8E 1.533(12) . ?
C1E H1EA 1.0000 . ?
C2E C3E 1.504(14) . ?
C2E H2EA 1.0000 . ?
C3E C4E 1.511(14) . ?
C3E H3EA 0.9900 . ?
C3E H3EB 0.9900 . ?
C4E C5E 1.525(13) . ?
C4E H4EA 0.9900 . ?
C4E H4EB 0.9900 . ?
C5E C6E 1.347(14) . ?
C5E H5EA 1.0000 . ?
C6E C7E 1.543(14) . ?
C6E H6EA 1.0000 . ?
C7E C8E 1.491(14) . ?
C7E H7EA 0.9900 . ?
C7E H7EB 0.9900 . ?
C8E H8EA 0.9900 . ?
C8E H8EB 0.9900 . ?
C1F C2F 1.378(17) . ?
C1F C8F 1.553(15) . ?
C1F H1FA 1.0000 . ?
C2F C3F 1.53(2) . ?
C2F H2FA 1.0000 . ?
C3F C4F 1.47(2) . ?
C3F H3FA 0.9900 . ?
C3F H3FB 0.9900 . ?
C4F C5F 1.47(2) . ?
C4F H4FA 0.9900 . ?
C4F H4FB 0.9900 . ?
C5F C6F 1.359(19) . ?
C5F H5FA 1.0000 . ?
C6F C7F 1.514(18) . ?
C6F H6FA 1.0000 . ?
C7F C8F 1.477(19) . ?
C7F H7FA 0.9900 . ?
C7F H7FB 0.9900 . ?
C8F H8FA 0.9900 . ?
C8F H8FB 0.9900 . ?
C1G C2G 1.34(2) . ?
C1G C8G 1.551(15) . ?
C1G H1GA 1.0000 . ?
C2G C3G 1.514(18) . ?
C2G H2GA 1.0000 . ?
C3G C4G 1.547(15) . ?
C3G H3GA 0.9900 . ?
C3G H3GB 0.9900 . ?
C4G C5G 1.512(14) . ?
C4G H4GA 0.9900 . ?
C4G H4GB 0.9900 . ?
C5G C6G 1.394(14) . ?
C5G H5GA 1.0000 . ?
C6G C7G 1.525(14) . ?
C6G H6GA 1.0000 . ?
C7G C8G 1.515(17) . ?
C7G H7GA 0.9900 . ?
C7G H7GB 0.9900 . ?
C8G H8GA 0.9900 . ?
C8G H8GB 0.9900 . ?
C1H C2H 1.370(15) . ?
C1H C8H 1.532(16) . ?
C1H H1HA 1.0000 . ?
C2H C3H 1.499(15) . ?
C2H H2HA 1.0000 . ?
C3H C4H 1.539(17) . ?
C3H H3HA 0.9900 . ?
C3H H3HB 0.9900 . ?
C4H C5H 1.553(17) . ?
C4H H4HA 0.9900 . ?
C4H H4HB 0.9900 . ?
C5H C6H 1.323(17) . ?
C5H H5HA 1.0000 . ?
C6H C7H 1.519(16) . ?
C6H H6HA 1.0000 . ?
C7H C8H 1.527(16) . ?
C7H H7HA 0.9900 . ?
C7H H7HB 0.9900 . ?
C8H H8HA 0.9900 . ?
C8H H8HB 0.9900 . ?
P10 F15 1.575(6) . ?
P10 F11 1.588(6) . ?
P10 F12 1.598(6) . ?
P10 F14 1.602(6) . ?
P10 F13 1.609(7) . ?
P10 F16 1.610(7) . ?
P20 F25 1.552(13) . ?
P20 F21 1.595(11) . ?
P20 F26 1.598(12) . ?
P20 F22 1.599(12) . ?
P20 F23 1.601(16) . ?
P20 F24 1.603(14) . ?
P30 F35 1.543(8) . ?
P30 F32 1.572(8) . ?
P30 F31 1.577(7) . ?
P30 F36 1.579(12) . ?
P30 F33 1.587(11) . ?
P30 F34 1.598(10) . ?
P40 F43 1.454(14) . ?
P40 F44 1.533(13) . ?
P40 F41 1.560(19) . ?
P40 F45 1.573(12) . ?
P40 F46 1.590(18) . ?
P40 F42 1.659(18) . ?
C1 C6 1.339(17) . ?
C1 C2 1.357(19) . ?
C1 C5 1.52(2) . ?
C2 C9 1.424(17) . ?
C2 C3 1.576(19) . ?
C3 C12 1.362(18) . ?
C3 C4 1.40(2) . ?
C4 C15 1.22(2) . ?
C4 C5 1.46(2) . ?
C5 C18 1.31(2) . ?
C6 C7 1.508(18) . ?
C6 C20 1.536(19) . ?
C7 C8 1.395(18) . ?
C7 C22 1.428(15) . ?
C8 C25 1.431(17) . ?
C8 C9 1.464(16) . ?
C9 C10 1.398(13) . ?
C10 C11 1.379(14) . ?
C10 C26 1.472(14) . ?
C11 C12 1.37(2) . ?
C11 C29 1.49(2) . ?
C12 C13 1.512(17) . ?
C13 C30 1.339(18) . ?
C13 C14 1.375(17) . ?
C14 C33 1.466(15) . ?
C14 C15 1.48(2) . ?
C15 C16 1.61(2) . ?
C16 C17 1.309(19) . ?
C16 C34 1.430(14) . ?
C17 C37 1.28(2) . ?
C17 C18 1.58(2) . ?
C18 C19 1.34(2) . ?
C19 C38 1.23(2) . ?
C19 C20 1.54(2) . ?
C20 C21 1.403(17) . ?
C21 C40 1.411(16) . ?
C21 C22 1.450(16) . ?
C22 C23 1.399(15) . ?
C23 C24 1.410(16) . ?
C23 C42 1.467(15) . ?
C24 C25 1.414(16) . ?
C24 C44 1.444(16) . ?
C25 C26 1.394(19) . ?
C26 C27 1.33(2) . ?
C27 C45 1.34(2) . ?
C27 C28 1.55(2) . ?
C28 C47 1.29(2) . ?
C28 C29 1.35(2) . ?
C29 C30 1.544(19) . ?
C30 C31 1.436(16) . ?
C31 C32 1.439(16) . ?
C31 C48 1.445(17) . ?
C32 C33 1.362(15) . ?
C32 C50 1.455(16) . ?
C33 C34 1.383(15) . ?
C34 C35 1.417(14) . ?
C35 C51 1.399(16) . ?
C35 C36 1.451(18) . ?
C36 C37 1.28(2) . ?
C36 C53 1.51(2) . ?
C37 C38 1.69(3) . ?
C38 C39 1.276(19) . ?
C39 C40 1.505(18) . ?
C39 C54 1.67(3) . ?
C40 C41 1.317(19) . ?
C41 C42 1.392(19) . ?
C41 C55 1.546(18) . ?
C42 C43 1.54(2) . ?
C43 C57 1.26(2) . ?
C43 C44 1.59(2) . ?
C44 C45 1.33(2) . ?
C45 C46 1.57(2) . ?
C46 C58 1.37(2) . ?
C46 C47 1.50(3) . ?
C47 C48 1.397(17) . ?
C48 C49 1.57(2) . ?
C49 C59 1.32(2) . ?
C49 C50 1.514(17) . ?
C50 C51 1.378(17) . ?
C51 C52 1.442(15) . ?
C52 C60 1.363(18) . ?
C52 C53 1.55(3) . ?
C53 C54 1.13(2) . ?
C54 C55 1.28(2) . ?
C55 C56 1.47(2) . ?
C56 C57 1.25(4) . ?
C56 C60 1.55(2) . ?
C57 C58 1.53(3) . ?
C58 C59 1.54(2) . ?
C59 C60 1.31(2) . ?
O1I C2I 1.279(18) . ?
C2I C3I 1.46(2) . ?
C2I C4I 1.484(19) . ?
C3I H3IA 0.9800 . ?
C3I H3IB 0.9800 . ?
C3I H3IC 0.9800 . ?
C4I H4IA 0.9800 . ?
C4I H4IB 0.9800 . ?
C4I H4IC 0.9800 . ?
O1J C2J 1.262(15) . ?
C2J C4J 1.394(15) . ?
C2J C3J 1.500(18) . ?
C3J H3JA 0.9800 . ?
C3J H3JB 0.9800 . ?
C3J H3JC 0.9800 . ?
C4J H4JA 0.9800 . ?
C4J H4JB 0.9800 . ?
C4J H4JC 0.9800 . ?
O1K C2K 1.192(12) . ?
C2K C4K 1.42(2) . ?
C2K C3K 1.496(15) . ?
C3K H3KA 0.9800 . ?
C3K H3KB 0.9800 . ?
C3K H3KC 0.9800 . ?
C4K H4KA 0.9800 . ?
C4K H4KB 0.9800 . ?
C4K H4KC 0.9800 . ?
O1L C2L 1.264(19) . ?
C2L C4L 1.32(2) . ?
C2L C3L 1.48(3) . ?
C3L H3LA 0.9800 . ?
C3L H3LB 0.9800 . ?
C3L H3LC 0.9800 . ?
C4L H4LA 0.9800 . ?
C4L H4LB 0.9800 . ?
C4L H4LC 0.9800 . ?
O1M C2M 1.24(2) . ?
C2M C3M 1.41(3) . ?
C2M C4M 1.44(3) . ?
C3M H3MA 0.9800 . ?
C3M H3MB 0.9800 . ?
C3M H3MC 0.9800 . ?
C4M H4MA 0.9800 . ?
C4M H4MB 0.9800 . ?
C4M H4MC 0.9800 . ?
O1N C2N 1.26(4) . ?
C2N C3N 1.455(19) . ?
C2N C4N 1.462(19) . ?
C3N H3NA 0.9800 . ?
C3N H3NB 0.9800 . ?
C3N H3NC 0.9800 . ?
C4N H4NA 0.9800 . ?
C4N H4NB 0.9800 . ?
C4N H4NC 0.9800 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6A C1A C2A C9A 0.0(10) . . . . ?
C5A C1A C2A C9A 158.2(6) . . . . ?
C6A C1A C2A C3A -158.7(6) . . . . ?
C5A C1A C2A C3A -0.6(7) . . . . ?
C9A C2A C3A C12A 0.9(12) . . . . ?
C1A C2A C3A C12A 159.1(7) . . . . ?
C9A C2A C3A C4A -158.2(7) . . . . ?
C1A C2A C3A C4A 0.0(7) . . . . ?
C12A C3A C4A C5A -159.2(7) . . . . ?
C2A C3A C4A C5A 0.6(8) . . . . ?
C12A C3A C4A C15A -2.6(11) . . . . ?
C2A C3A C4A C15A 157.2(7) . . . . ?
C15A C4A C5A C18A 0.8(11) . . . . ?
C3A C4A C5A C18A 157.5(7) . . . . ?
C15A C4A C5A C1A -157.6(7) . . . . ?
C3A C4A C5A C1A -0.9(8) . . . . ?
C6A C1A C5A C18A 0.3(11) . . . . ?
C2A C1A C5A C18A -157.4(7) . . . . ?
C6A C1A C5A C4A 158.6(7) . . . . ?
C2A C1A C5A C4A 0.9(7) . . . . ?
C2A C1A C6A C7A -9.4(9) . . . . ?
C5A C1A C6A C7A -163.8(6) . . . . ?
C2A C1A C6A C20A 161.6(6) . . . . ?
C5A C1A C6A C20A 7.2(9) . . . . ?
C1A C6A C7A C8A 9.9(10) . . . . ?
C20A C6A C7A C8A -158.4(7) . . . . ?
C6A C7A C8A C9A -1.2(10) . . . . ?
C1A C2A C9A C10A -164.5(6) . . . . ?
C3A C2A C9A C10A -9.6(10) . . . . ?
C1A C2A C9A C8A 8.9(10) . . . . ?
C3A C2A C9A C8A 163.9(6) . . . . ?
C7A C8A C9A C2A -8.2(10) . . . . ?
C7A C8A C9A C10A 163.2(7) . . . . ?
C2A C9A C10A N24A -172.7(7) . . . . ?
C8A C9A C10A N24A 15.7(13) . . . . ?
C2A C9A C10A C11A 7.0(9) . . . . ?
C8A C9A C10A C11A -164.7(7) . . . . ?
N24A C10A C11A N25A 1.9(7) . . . . ?
C9A C10A C11A N25A -177.8(6) . . . . ?
N24A C10A C11A C12A -176.2(6) . . . . ?
C9A C10A C11A C12A 4.0(10) . . . . ?
C4A C3A C12A C13A -5.3(10) . . . . ?
C2A C3A C12A C13A -161.3(7) . . . . ?
C4A C3A C12A C11A 165.8(6) . . . . ?
C2A C3A C12A C11A 9.8(10) . . . . ?
N25A C11A C12A C3A 170.3(7) . . . . ?
C10A C11A C12A C3A -12.0(9) . . . . ?
N25A C11A C12A C13A -20.8(13) . . . . ?
C10A C11A C12A C13A 156.9(8) . . . . ?
C3A C12A C13A C14A 7.1(11) . . . . ?
C11A C12A C13A C14A -161.2(8) . . . . ?
C12A C13A C14A C15A -1.4(12) . . . . ?
C5A C4A C15A C16A -7.1(10) . . . . ?
C3A C4A C15A C16A -160.8(7) . . . . ?
C5A C4A C15A C14A 161.7(7) . . . . ?
C3A C4A C15A C14A 8.0(11) . . . . ?
C13A C14A C15A C4A -6.1(11) . . . . ?
C13A C14A C15A C16A 159.9(8) . . . . ?
C4A C15A C16A C17A 6.4(11) . . . . ?
C14A C15A C16A C17A -159.6(8) . . . . ?
C15A C16A C17A C18A 0.5(12) . . . . ?
C4A C5A C18A C19A -164.0(6) . . . . ?
C1A C5A C18A C19A -9.3(9) . . . . ?
C4A C5A C18A C17A 6.2(10) . . . . ?
C1A C5A C18A C17A 160.9(6) . . . . ?
C16A C17A C18A C5A -6.8(10) . . . . ?
C16A C17A C18A C19A 160.3(8) . . . . ?
C5A C18A C19A N21A -175.6(7) . . . . ?
C17A C18A C19A N21A 17.1(13) . . . . ?
C5A C18A C19A C20A 10.9(9) . . . . ?
C17A C18A C19A C20A -156.4(8) . . . . ?
N21A C19A C20A N22A 0.3(7) . . . . ?
C18A C19A C20A N22A 175.2(6) . . . . ?
N21A C19A C20A C6A -178.8(6) . . . . ?
C18A C19A C20A C6A -3.9(11) . . . . ?
C1A C6A C20A N22A 175.7(6) . . . . ?
C7A C6A C20A N22A -15.8(13) . . . . ?
C1A C6A C20A C19A -5.4(9) . . . . ?
C7A C6A C20A C19A 163.2(7) . . . . ?
C20A C19A N21A C23A 0.2(7) . . . . ?
C18A C19A N21A C23A -174.2(7) . . . . ?
C20A C19A N21A C27A -174.7(6) . . . . ?
C18A C19A N21A C27A 10.9(11) . . . . ?
C19A C20A N22A C23A -0.7(7) . . . . ?
C6A C20A N22A C23A 178.3(7) . . . . ?
C19A C20A N22A C31A -174.4(6) . . . . ?
C6A C20A N22A C31A 4.7(11) . . . . ?
C20A N22A C23A N21A 0.8(7) . . . . ?
C31A N22A C23A N21A 174.4(6) . . . . ?
C20A N22A C23A Rh1 174.9(5) . . . . ?
C31A N22A C23A Rh1 -11.5(9) . . . . ?
C19A N21A C23A N22A -0.6(7) . . . . ?
C27A N21A C23A N22A 174.3(6) . . . . ?
C19A N21A C23A Rh1 -175.1(5) . . . . ?
C27A N21A C23A Rh1 -0.2(9) . . . . ?
C11A C10A N24A C26A -2.2(8) . . . . ?
C9A C10A N24A C26A 177.5(7) . . . . ?
C11A C10A N24A C35A 173.2(6) . . . . ?
C9A C10A N24A C35A -7.1(11) . . . . ?
C10A C11A N25A C26A -1.1(7) . . . . ?
C12A C11A N25A C26A 176.9(7) . . . . ?
C10A C11A N25A C39A 172.7(7) . . . . ?
C12A C11A N25A C39A -9.3(11) . . . . ?
C10A N24A C26A N25A 1.5(8) . . . . ?
C35A N24A C26A N25A -173.9(6) . . . . ?
C10A N24A C26A Rh2 -175.8(5) . . . . ?
C35A N24A C26A Rh2 8.8(10) . . . . ?
C11A N25A C26A N24A -0.2(8) . . . . ?
C39A N25A C26A N24A -173.9(7) . . . . ?
C11A N25A C26A Rh2 177.2(5) . . . . ?
C39A N25A C26A Rh2 3.5(10) . . . . ?
C23A N21A C27A C28A -112.6(9) . . . . ?
C19A N21A C27A C28A 61.5(10) . . . . ?
N21A C27A C28A C29A 161.0(8) . . . . ?
C27A C28A C29A C30A 172.9(9) . . . . ?
C23A N22A C31A C32A -99.0(7) . . . . ?
C20A N22A C31A C32A 73.7(8) . . . . ?
N22A C31A C32A C33A -171.9(6) . . . . ?
C31A C32A C33A C34A 179.9(8) . . . . ?
C26A N24A C35A C36A 100.7(8) . . . . ?
C10A N24A C35A C36A -74.1(9) . . . . ?
N24A C35A C36A C37A 174.7(7) . . . . ?
C35A C36A C37A C38A -175.1(8) . . . . ?
C26A N25A C39A C40A 112.2(11) . . . . ?
C11A N25A C39A C40A -60.6(12) . . . . ?
N25A C39A C40A C41A 177.4(12) . . . . ?
C39A C40A C41A C42A 79.5(19) . . . . ?
C6B C1B C2B C9B -0.3(11) . . . . ?
C5B C1B C2B C9B 158.1(7) . . . . ?
C6B C1B C2B C3B -159.0(7) . . . . ?
C5B C1B C2B C3B -0.6(8) . . . . ?
C9B C2B C3B C12B 1.9(12) . . . . ?
C1B C2B C3B C12B 160.2(7) . . . . ?
C9B C2B C3B C4B -157.1(7) . . . . ?
C1B C2B C3B C4B 1.1(8) . . . . ?
C12B C3B C4B C15B -3.3(12) . . . . ?
C2B C3B C4B C15B 156.6(7) . . . . ?
C12B C3B C4B C5B -161.1(7) . . . . ?
C2B C3B C4B C5B -1.2(8) . . . . ?
C15B C4B C5B C18B 1.9(12) . . . . ?
C3B C4B C5B C18B 159.1(7) . . . . ?
C15B C4B C5B C1B -156.2(7) . . . . ?
C3B C4B C5B C1B 0.9(8) . . . . ?
C6B C1B C5B C18B 0.3(12) . . . . ?
C2B C1B C5B C18B -157.5(7) . . . . ?
C6B C1B C5B C4B 157.6(7) . . . . ?
C2B C1B C5B C4B -0.2(8) . . . . ?
C2B C1B C6B C7B -9.2(10) . . . . ?
C5B C1B C6B C7B -163.8(7) . . . . ?
C2B C1B C6B C20B 162.4(7) . . . . ?
C5B C1B C6B C20B 7.8(10) . . . . ?
C1B C6B C7B C8B 9.5(10) . . . . ?
C20B C6B C7B C8B -159.3(8) . . . . ?
C6B C7B C8B C9B -0.6(12) . . . . ?
C1B C2B C9B C8B 9.4(10) . . . . ?
C3B C2B C9B C8B 164.6(7) . . . . ?
C1B C2B C9B C10B -165.4(7) . . . . ?
C3B C2B C9B C10B -10.2(10) . . . . ?
C7B C8B C9B C2B -8.9(11) . . . . ?
C7B C8B C9B C10B 164.3(8) . . . . ?
C2B C9B C10B N24B -172.5(7) . . . . ?
C8B C9B C10B N24B 14.1(14) . . . . ?
C2B C9B C10B C11B 7.6(10) . . . . ?
C8B C9B C10B C11B -165.8(8) . . . . ?
N24B C10B C11B N25B 2.5(8) . . . . ?
C9B C10B C11B N25B -177.5(7) . . . . ?
N24B C10B C11B C12B -176.7(7) . . . . ?
C9B C10B C11B C12B 3.2(12) . . . . ?
C2B C3B C12B C11B 8.9(11) . . . . ?
C4B C3B C12B C11B 165.2(7) . . . . ?
C2B C3B C12B C13B -159.2(7) . . . . ?
C4B C3B C12B C13B -3.0(10) . . . . ?
N25B C11B C12B C3B 169.9(8) . . . . ?
C10B C11B C12B C3B -11.1(10) . . . . ?
N25B C11B C12B C13B -25.1(14) . . . . ?
C10B C11B C12B C13B 153.9(9) . . . . ?
C3B C12B C13B C14B 5.0(11) . . . . ?
C11B C12B C13B C14B -159.6(9) . . . . ?
C12B C13B C14B C15B -0.8(13) . . . . ?
C5B C4B C15B C14B 161.0(7) . . . . ?
C3B C4B C15B C14B 7.3(11) . . . . ?
C5B C4B C15B C16B -6.3(11) . . . . ?
C3B C4B C15B C16B -160.1(7) . . . . ?
C13B C14B C15B C4B -5.3(12) . . . . ?
C13B C14B C15B C16B 159.2(9) . . . . ?
C4B C15B C16B C17B 5.2(11) . . . . ?
C14B C15B C16B C17B -159.5(8) . . . . ?
C15B C16B C17B C18B 0.1(12) . . . . ?
C4B C5B C18B C17B 3.7(10) . . . . ?
C1B C5B C18B C17B 158.2(7) . . . . ?
C4B C5B C18B C19B -163.1(7) . . . . ?
C1B C5B C18B C19B -8.6(10) . . . . ?
C16B C17B C18B C5B -4.6(11) . . . . ?
C16B C17B C18B C19B 158.0(9) . . . . ?
C5B C18B C19B C20B 9.0(10) . . . . ?
C17B C18B C19B C20B -154.2(8) . . . . ?
C5B C18B C19B N21B -173.6(7) . . . . ?
C17B C18B C19B N21B 23.3(13) . . . . ?
N21B C19B C20B N22B -1.9(8) . . . . ?
C18B C19B C20B N22B 176.0(6) . . . . ?
N21B C19B C20B C6B -179.1(6) . . . . ?
C18B C19B C20B C6B -1.2(11) . . . . ?
C1B C6B C20B C19B -7.3(10) . . . . ?
C7B C6B C20B C19B 161.8(8) . . . . ?
C1B C6B C20B N22B 176.3(7) . . . . ?
C7B C6B C20B N22B -14.6(14) . . . . ?
C20B C19B N21B C23B 0.7(8) . . . . ?
C18B C19B N21B C23B -177.1(7) . . . . ?
C20B C19B N21B C27B -174.7(7) . . . . ?
C18B C19B N21B C27B 7.6(12) . . . . ?
C19B C20B N22B C23B 2.6(8) . . . . ?
C6B C20B N22B C23B 179.5(7) . . . . ?
C19B C20B N22B C31B -171.3(7) . . . . ?
C6B C20B N22B C31B 5.6(12) . . . . ?
C19B N21B C23B N22B 0.9(8) . . . . ?
C27B N21B C23B N22B 176.2(7) . . . . ?
C19B N21B C23B Rh3 -179.6(5) . . . . ?
C27B N21B C23B Rh3 -4.2(11) . . . . ?
C20B N22B C23B N21B -2.2(8) . . . . ?
C31B N22B C23B N21B 172.0(6) . . . . ?
C20B N22B C23B Rh3 178.3(5) . . . . ?
C31B N22B C23B Rh3 -7.6(10) . . . . ?
C11B C10B N24B C26B -2.7(8) . . . . ?
C9B C10B N24B C26B 177.4(8) . . . . ?
C11B C10B N24B C35B 170.8(7) . . . . ?
C9B C10B N24B C35B -9.1(12) . . . . ?
C10B C11B N25B C26B -1.7(9) . . . . ?
C12B C11B N25B C26B 177.5(8) . . . . ?
C10B C11B N25B C39B 172.8(7) . . . . ?
C12B C11B N25B C39B -8.0(13) . . . . ?
C11B N25B C26B N24B 0.1(8) . . . . ?
C39B N25B C26B N24B -174.5(7) . . . . ?
C11B N25B C26B Rh4 177.8(5) . . . . ?
C39B N25B C26B Rh4 3.2(10) . . . . ?
C10B N24B C26B N25B 1.6(8) . . . . ?
C35B N24B C26B N25B -171.9(6) . . . . ?
C10B N24B C26B Rh4 -175.9(6) . . . . ?
C35B N24B C26B Rh4 10.6(11) . . . . ?
C23B N21B C27B C28B -109.2(11) . . . . ?
C19B N21B C27B C28B 65.4(12) . . . . ?
N21B C27B C28B C29B 179.6(13) . . . . ?
C27B C28B C29B C30B -163(2) . . . . ?
C23B N22B C31B C32B -103.4(9) . . . . ?
C20B N22B C31B C32B 69.7(10) . . . . ?
N22B C31B C32B C33B -168.1(11) . . . . ?
C31B C32B C33B C34B 134(2) . . . . ?
C26B N24B C35B C36B 101.7(9) . . . . ?
C10B N24B C35B C36B -71.0(10) . . . . ?
N24B C35B C36B C37B 175.0(10) . . . . ?
C35B C36B C37B C38B -177.2(15) . . . . ?
C26B N25B C39B C40B 108.9(10) . . . . ?
C11B N25B C39B C40B -65.0(12) . . . . ?
N25B C39B C40B C41B -173.9(9) . . . . ?
C39B C40B C41B C42B -176.5(10) . . . . ?
C5C C4C C3C C2C 1.0(14) . . . . ?
C7C C4C C3C C2C -176.6(9) . . . . ?
C4C C3C C2C N1C -0.9(16) . . . . ?
C3C C2C N1C C6C 0.6(14) . . . . ?
C3C C2C N1C Rh1 173.6(8) . . . . ?
C2C N1C C6C C5C -0.5(13) . . . . ?
Rh1 N1C C6C C5C -173.6(7) . . . . ?
C3C C4C C5C C6C -0.9(13) . . . . ?
C7C C4C C5C C6C 176.6(8) . . . . ?
N1C C6C C5C C4C 0.7(14) . . . . ?
C5C C4C C7C C8C -4.3(14) . . . . ?
C3C C4C C7C C8C 173.2(10) . . . . ?
C5C C4C C7C C12C 175.0(10) . . . . ?
C3C C4C C7C C12C -7.6(14) . . . . ?
C12C C7C C8C C9C 4.5(16) . . . . ?
C4C C7C C8C C9C -176.2(9) . . . . ?
C7C C8C C9C N10C 0.4(18) . . . . ?
C8C C9C N10C C11C -4.3(17) . . . . ?
C8C C9C N10C Rh4 177.0(9) . . . . ?
C9C N10C C11C C12C 3.1(18) . . . . ?
Rh4 N10C C11C C12C -178.3(9) . . . . ?
N10C C11C C12C C7C 1.8(19) . . . . ?
C8C C7C C12C C11C -5.5(16) . . . . ?
C4C C7C C12C C11C 175.2(10) . . . . ?
C6D N1D C2D C3D -3.3(13) . . . . ?
Rh2 N1D C2D C3D 177.6(6) . . . . ?
N1D C2D C3D C4D -2.3(13) . . . . ?
C2D C3D C4D C5D 5.1(13) . . . . ?
C2D C3D C4D C7D -177.2(8) . . . . ?
C3D C4D C5D C6D -2.4(16) . . . . ?
C7D C4D C5D C6D 180.0(10) . . . . ?
C2D N1D C6D C5D 6.2(16) . . . . ?
Rh2 N1D C6D C5D -174.7(9) . . . . ?
C4D C5D C6D N1D -3.5(19) . . . . ?
C5D C4D C7D C12D 167.1(10) . . . . ?
C3D C4D C7D C12D -10.5(12) . . . . ?
C5D C4D C7D C8D -13.5(14) . . . . ?
C3D C4D C7D C8D 168.9(9) . . . . ?
C12D C7D C8D C9D 3.8(14) . . . . ?
C4D C7D C8D C9D -175.6(9) . . . . ?
C7D C8D C9D N10D -0.8(17) . . . . ?
C8D C9D N10D C11D -1.6(15) . . . . ?
C8D C9D N10D Rh3 170.4(8) . . . . ?
C9D N10D C11D C12D 0.8(14) . . . . ?
Rh3 N10D C11D C12D -171.6(7) . . . . ?
C8D C7D C12D C11D -4.6(13) . . . . ?
C4D C7D C12D C11D 174.8(8) . . . . ?
N10D C11D C12D C7D 2.5(15) . . . . ?
C8E C1E C2E C3E -4.0(13) . . . . ?
Rh1 C1E C2E C3E 100.2(8) . . . . ?
C8E C1E C2E Rh1 -104.1(8) . . . . ?
C1E C2E C3E C4E -40.4(11) . . . . ?
Rh1 C2E C3E C4E 39.8(9) . . . . ?
C2E C3E C4E C5E -36.5(12) . . . . ?
C3E C4E C5E C6E 95.8(12) . . . . ?
C3E C4E C5E Rh1 15.0(11) . . . . ?
C4E C5E C6E C7E -5.7(15) . . . . ?
Rh1 C5E C6E C7E 97.0(9) . . . . ?
C4E C5E C6E Rh1 -102.7(9) . . . . ?
C5E C6E C7E C8E -41.5(15) . . . . ?
Rh1 C6E C7E C8E 38.6(11) . . . . ?
C6E C7E C8E C1E -34.0(14) . . . . ?
C2E C1E C8E C7E 92.1(11) . . . . ?
Rh1 C1E C8E C7E 10.7(12) . . . . ?
C8F C1F C2F C3F -0.7(16) . . . . ?
Rh2 C1F C2F C3F -102.8(11) . . . . ?
C8F C1F C2F Rh2 102.1(9) . . . . ?
C1F C2F C3F C4F 58.2(19) . . . . ?
Rh2 C2F C3F C4F -24.0(17) . . . . ?
C2F C3F C4F C5F 16(3) . . . . ?
C3F C4F C5F C6F -81(2) . . . . ?
C3F C4F C5F Rh2 0(2) . . . . ?
C4F C5F C6F C7F 5(2) . . . . ?
Rh2 C5F C6F C7F -97.0(13) . . . . ?
C4F C5F C6F Rh2 101.5(13) . . . . ?
C5F C6F C7F C8F 50(3) . . . . ?
Rh2 C6F C7F C8F -31(2) . . . . ?
C6F C7F C8F C1F 21(3) . . . . ?
C2F C1F C8F C7F -79.8(19) . . . . ?
Rh2 C1F C8F C7F 1(2) . . . . ?
C8G C1G C2G C3G 1(2) . . . . ?
Rh3 C1G C2G C3G -101.2(13) . . . . ?
C8G C1G C2G Rh3 102.2(11) . . . . ?
C1G C2G C3G C4G 46.8(18) . . . . ?
Rh3 C2G C3G C4G -35.9(14) . . . . ?
C2G C3G C4G C5G 31.6(15) . . . . ?
C3G C4G C5G C6G -91.2(12) . . . . ?
C3G C4G C5G Rh3 -10.9(12) . . . . ?
C4G C5G C6G C7G 2.8(12) . . . . ?
Rh3 C5G C6G C7G -100.3(7) . . . . ?
C4G C5G C6G Rh3 103.1(7) . . . . ?
C5G C6G C7G C8G 44.6(13) . . . . ?
Rh3 C6G C7G C8G -35.8(12) . . . . ?
C6G C7G C8G C1G 29.2(18) . . . . ?
C2G C1G C8G C7G -89.9(18) . . . . ?
Rh3 C1G C8G C7G -7.8(18) . . . . ?
C8H C1H C2H C3H 4.9(13) . . . . ?
Rh4 C1H C2H C3H 106.1(8) . . . . ?
C8H C1H C2H Rh4 -101.1(8) . . . . ?
C1H C2H C3H C4H -98.4(15) . . . . ?
Rh4 C2H C3H C4H -16.2(16) . . . . ?
C2H C3H C4H C5H 38.7(18) . . . . ?
C3H C4H C5H C6H 43.3(18) . . . . ?
C3H C4H C5H Rh4 -41.8(15) . . . . ?
C4H C5H C6H C7H 1.1(19) . . . . ?
Rh4 C5H C6H C7H 102.1(10) . . . . ?
C4H C5H C6H Rh4 -101.0(12) . . . . ?
C5H C6H C7H C8H -90.3(16) . . . . ?
Rh4 C6H C7H C8H -10.9(15) . . . . ?
C6H C7H C8H C1H 31.0(17) . . . . ?
C2H C1H C8H C7H 44.1(14) . . . . ?
Rh4 C1H C8H C7H -35.8(13) . . . . ?
C6 C1 C2 C9 -4.2(17) . . . . ?
C5 C1 C2 C9 140.7(11) . . . . ?
C6 C1 C2 C3 -144.1(10) . . . . ?
C5 C1 C2 C3 0.8(12) . . . . ?
C1 C2 C3 C12 145.5(11) . . . . ?
C9 C2 C3 C12 1.2(13) . . . . ?
C1 C2 C3 C4 -1.0(13) . . . . ?
C9 C2 C3 C4 -145.3(10) . . . . ?
C12 C3 C4 C15 2(2) . . . . ?
C2 C3 C4 C15 143.1(13) . . . . ?
C12 C3 C4 C5 -139.9(13) . . . . ?
C2 C3 C4 C5 0.7(13) . . . . ?
C15 C4 C5 C18 -2(2) . . . . ?
C3 C4 C5 C18 139.2(16) . . . . ?
C15 C4 C5 C1 -141.0(15) . . . . ?
C3 C4 C5 C1 -0.2(14) . . . . ?
C6 C1 C5 C18 -2.7(18) . . . . ?
C2 C1 C5 C18 -146.2(12) . . . . ?
C6 C1 C5 C4 143.1(12) . . . . ?
C2 C1 C5 C4 -0.4(13) . . . . ?
C2 C1 C6 C7 3.1(16) . . . . ?
C5 C1 C6 C7 -137.4(13) . . . . ?
C2 C1 C6 C20 139.5(12) . . . . ?
C5 C1 C6 C20 -0.9(18) . . . . ?
C1 C6 C7 C8 -0.2(15) . . . . ?
C20 C6 C7 C8 -143.2(9) . . . . ?
C1 C6 C7 C22 142.3(11) . . . . ?
C20 C6 C7 C22 -0.6(9) . . . . ?
C22 C7 C8 C25 -0.7(13) . . . . ?
C6 C7 C8 C25 137.2(10) . . . . ?
C22 C7 C8 C9 -139.6(9) . . . . ?
C6 C7 C8 C9 -1.8(13) . . . . ?
C1 C2 C9 C10 -132.9(13) . . . . ?
C3 C2 C9 C10 4.3(15) . . . . ?
C1 C2 C9 C8 2.2(15) . . . . ?
C3 C2 C9 C8 139.5(9) . . . . ?
C7 C8 C9 C10 143.5(10) . . . . ?
C25 C8 C9 C10 1.0(11) . . . . ?
C7 C8 C9 C2 0.9(13) . . . . ?
C25 C8 C9 C2 -141.7(10) . . . . ?
C2 C9 C10 C11 -4.9(17) . . . . ?
C8 C9 C10 C11 -144.5(11) . . . . ?
C2 C9 C10 C26 138.6(11) . . . . ?
C8 C9 C10 C26 -1.0(12) . . . . ?
C9 C10 C11 C12 -0.4(19) . . . . ?
C26 C10 C11 C12 -140.1(15) . . . . ?
C9 C10 C11 C29 141.8(13) . . . . ?
C26 C10 C11 C29 2.2(19) . . . . ?
C4 C3 C12 C11 131.5(16) . . . . ?
C2 C3 C12 C11 -6.7(18) . . . . ?
C4 C3 C12 C13 -2.8(17) . . . . ?
C2 C3 C12 C13 -141.1(9) . . . . ?
C10 C11 C12 C3 7(2) . . . . ?
C29 C11 C12 C3 -137.0(13) . . . . ?
C10 C11 C12 C13 143.1(12) . . . . ?
C29 C11 C12 C13 -0.5(15) . . . . ?
C3 C12 C13 C30 145.2(11) . . . . ?
C11 C12 C13 C30 1.6(14) . . . . ?
C3 C12 C13 C14 1.3(15) . . . . ?
C11 C12 C13 C14 -142.3(12) . . . . ?
C30 C13 C14 C33 -5.4(16) . . . . ?
C12 C13 C14 C33 135.1(11) . . . . ?
C30 C13 C14 C15 -140.0(11) . . . . ?
C12 C13 C14 C15 0.5(15) . . . . ?
C3 C4 C15 C14 0(2) . . . . ?
C5 C4 C15 C14 137.8(16) . . . . ?
C3 C4 C15 C16 -140.9(14) . . . . ?
C5 C4 C15 C16 -2.9(19) . . . . ?
C13 C14 C15 C4 -1.1(18) . . . . ?
C33 C14 C15 C4 -143.2(14) . . . . ?
C13 C14 C15 C16 143.4(9) . . . . ?
C33 C14 C15 C16 1.4(10) . . . . ?
C4 C15 C16 C17 6.6(18) . . . . ?
C14 C15 C16 C17 -141.6(11) . . . . ?
C4 C15 C16 C34 147.1(12) . . . . ?
C14 C15 C16 C34 -1.1(10) . . . . ?
C34 C16 C17 C37 2.2(19) . . . . ?
C15 C16 C17 C37 136.1(14) . . . . ?
C34 C16 C17 C18 -139.2(12) . . . . ?
C15 C16 C17 C18 -5.3(17) . . . . ?
C4 C5 C18 C19 -129.6(18) . . . . ?
C1 C5 C18 C19 8(2) . . . . ?
C4 C5 C18 C17 3(2) . . . . ?
C1 C5 C18 C17 139.9(12) . . . . ?
C37 C17 C18 C5 -145.3(15) . . . . ?
C16 C17 C18 C5 1.0(18) . . . . ?
C37 C17 C18 C19 1.4(16) . . . . ?
C16 C17 C18 C19 147.7(13) . . . . ?
C5 C18 C19 C38 133(2) . . . . ?
C17 C18 C19 C38 -4.4(19) . . . . ?
C5 C18 C19 C20 -7(2) . . . . ?
C17 C18 C19 C20 -144.5(11) . . . . ?
C1 C6 C20 C21 -141.1(11) . . . . ?
C7 C6 C20 C21 2.0(10) . . . . ?
C1 C6 C20 C19 1.1(16) . . . . ?
C7 C6 C20 C19 144.2(9) . . . . ?
C38 C19 C20 C21 -9.5(18) . . . . ?
C18 C19 C20 C21 137.6(13) . . . . ?
C38 C19 C20 C6 -144.7(13) . . . . ?
C18 C19 C20 C6 2.4(15) . . . . ?
C6 C20 C21 C40 141.6(10) . . . . ?
C19 C20 C21 C40 4.8(17) . . . . ?
C6 C20 C21 C22 -2.6(10) . . . . ?
C19 C20 C21 C22 -139.5(11) . . . . ?
C8 C7 C22 C23 2.1(13) . . . . ?
C6 C7 C22 C23 -139.4(9) . . . . ?
C8 C7 C22 C21 140.6(9) . . . . ?
C6 C7 C22 C21 -0.9(10) . . . . ?
C20 C21 C22 C23 142.3(9) . . . . ?
C40 C21 C22 C23 0.8(14) . . . . ?
C20 C21 C22 C7 2.3(10) . . . . ?
C40 C21 C22 C7 -139.2(10) . . . . ?
C7 C22 C23 C24 -3.4(13) . . . . ?
C21 C22 C23 C24 -139.1(9) . . . . ?
C7 C22 C23 C42 137.8(10) . . . . ?
C21 C22 C23 C42 2.2(13) . . . . ?
C22 C23 C24 C25 3.4(13) . . . . ?
C42 C23 C24 C25 -139.6(9) . . . . ?
C22 C23 C24 C44 142.2(9) . . . . ?
C42 C23 C24 C44 -0.8(11) . . . . ?
C23 C24 C25 C26 135.8(12) . . . . ?
C44 C24 C25 C26 -1.9(15) . . . . ?
C23 C24 C25 C8 -1.9(13) . . . . ?
C44 C24 C25 C8 -139.6(10) . . . . ?
C7 C8 C25 C26 -142.5(10) . . . . ?
C9 C8 C25 C26 -0.5(12) . . . . ?
C7 C8 C25 C24 0.6(13) . . . . ?
C9 C8 C25 C24 142.6(9) . . . . ?
C24 C25 C26 C27 4.1(17) . . . . ?
C8 C25 C26 C27 146.1(12) . . . . ?
C24 C25 C26 C10 -142.1(11) . . . . ?
C8 C25 C26 C10 -0.1(12) . . . . ?
C11 C10 C26 C27 0(2) . . . . ?
C9 C10 C26 C27 -143.5(14) . . . . ?
C11 C10 C26 C25 143.8(13) . . . . ?
C9 C10 C26 C25 0.8(13) . . . . ?
C25 C26 C27 C45 -5(2) . . . . ?
C10 C26 C27 C45 135.9(15) . . . . ?
C25 C26 C27 C28 -139.3(14) . . . . ?
C10 C26 C27 C28 2(2) . . . . ?
C26 C27 C28 C47 141.2(17) . . . . ?
C45 C27 C28 C47 -0.6(18) . . . . ?
C26 C27 C28 C29 -5(2) . . . . ?
C45 C27 C28 C29 -146.4(14) . . . . ?
C47 C28 C29 C11 -135.6(17) . . . . ?
C27 C28 C29 C11 7(2) . . . . ?
C47 C28 C29 C30 -3(2) . . . . ?
C27 C28 C29 C30 139.2(13) . . . . ?
C12 C11 C29 C28 139.1(16) . . . . ?
C10 C11 C29 C28 -6(2) . . . . ?
C12 C11 C29 C30 -0.6(14) . . . . ?
C10 C11 C29 C30 -145.5(13) . . . . ?
C14 C13 C30 C31 2.3(16) . . . . ?
C12 C13 C30 C31 -142.6(11) . . . . ?
C14 C13 C30 C29 142.8(11) . . . . ?
C12 C13 C30 C29 -2.1(14) . . . . ?
C28 C29 C30 C13 -140.4(13) . . . . ?
C11 C29 C30 C13 1.7(13) . . . . ?
C28 C29 C30 C31 1.1(17) . . . . ?
C11 C29 C30 C31 143.2(11) . . . . ?
C13 C30 C31 C32 1.6(16) . . . . ?
C29 C30 C31 C32 -136.8(11) . . . . ?
C13 C30 C31 C48 140.1(12) . . . . ?
C29 C30 C31 C48 1.8(14) . . . . ?
C30 C31 C32 C33 -2.5(14) . . . . ?
C48 C31 C32 C33 -142.9(9) . . . . ?
C30 C31 C32 C50 140.6(10) . . . . ?
C48 C31 C32 C50 0.2(10) . . . . ?
C31 C32 C33 C34 139.2(10) . . . . ?
C50 C32 C33 C34 -0.6(12) . . . . ?
C31 C32 C33 C14 -0.3(13) . . . . ?
C50 C32 C33 C14 -140.1(9) . . . . ?
C13 C14 C33 C32 4.3(14) . . . . ?
C15 C14 C33 C32 141.9(9) . . . . ?
C13 C14 C33 C34 -138.8(10) . . . . ?
C15 C14 C33 C34 -1.2(10) . . . . ?
C32 C33 C34 C35 1.5(12) . . . . ?
C14 C33 C34 C35 143.0(8) . . . . ?
C32 C33 C34 C16 -141.1(9) . . . . ?
C14 C33 C34 C16 0.4(10) . . . . ?
C17 C16 C34 C33 141.1(10) . . . . ?
C15 C16 C34 C33 0.5(10) . . . . ?
C17 C16 C34 C35 -2.7(14) . . . . ?
C15 C16 C34 C35 -143.4(8) . . . . ?
C33 C34 C35 C51 -2.1(12) . . . . ?
C16 C34 C35 C51 139.1(9) . . . . ?
C33 C34 C35 C36 -139.3(9) . . . . ?
C16 C34 C35 C36 1.9(12) . . . . ?
C51 C35 C36 C37 -142.8(12) . . . . ?
C34 C35 C36 C37 -0.5(15) . . . . ?
C51 C35 C36 C53 0.3(12) . . . . ?
C34 C35 C36 C53 142.5(10) . . . . ?
C35 C36 C37 C17 0(2) . . . . ?
C53 C36 C37 C17 -138.8(15) . . . . ?
C35 C36 C37 C38 137.9(12) . . . . ?
C53 C36 C37 C38 -1(2) . . . . ?
C16 C17 C37 C36 -1(2) . . . . ?
C18 C17 C37 C36 143.5(13) . . . . ?
C16 C17 C37 C38 -143.4(12) . . . . ?
C18 C17 C37 C38 0.8(16) . . . . ?
C18 C19 C38 C39 -130(3) . . . . ?
C20 C19 C38 C39 13(3) . . . . ?
C18 C19 C38 C37 4.7(19) . . . . ?
C20 C19 C38 C37 147.8(10) . . . . ?
C36 C37 C38 C19 -146.7(15) . . . . ?
C17 C37 C38 C19 -2.9(16) . . . . ?
C36 C37 C38 C39 4(2) . . . . ?
C17 C37 C38 C39 147.3(14) . . . . ?
C19 C38 C39 C40 -10(3) . . . . ?
C37 C38 C39 C40 -141.4(12) . . . . ?
C19 C38 C39 C54 123(3) . . . . ?
C37 C38 C39 C54 -9(2) . . . . ?
C20 C21 C40 C41 -140.7(12) . . . . ?
C22 C21 C40 C41 -1.4(16) . . . . ?
C20 C21 C40 C39 -0.5(16) . . . . ?
C22 C21 C40 C39 138.7(11) . . . . ?
C38 C39 C40 C41 145.9(13) . . . . ?
C54 C39 C40 C41 2.4(13) . . . . ?
C38 C39 C40 C21 1.5(17) . . . . ?
C54 C39 C40 C21 -141.9(11) . . . . ?
C21 C40 C41 C42 -1.2(17) . . . . ?
C39 C40 C41 C42 -144.3(11) . . . . ?
C21 C40 C41 C55 142.2(11) . . . . ?
C39 C40 C41 C55 -0.9(14) . . . . ?
C40 C41 C42 C23 4.5(17) . . . . ?
C55 C41 C42 C23 -134.7(11) . . . . ?
C40 C41 C42 C43 138.7(12) . . . . ?
C55 C41 C42 C43 -0.5(15) . . . . ?
C22 C23 C42 C41 -5.0(15) . . . . ?
C24 C23 C42 C41 139.0(11) . . . . ?
C22 C23 C42 C43 -143.4(9) . . . . ?
C24 C23 C42 C43 0.6(10) . . . . ?
C41 C42 C43 C57 3.4(17) . . . . ?
C23 C42 C43 C57 145.0(12) . . . . ?
C41 C42 C43 C44 -141.8(10) . . . . ?
C23 C42 C43 C44 -0.2(10) . . . . ?
C23 C24 C44 C45 -141.4(11) . . . . ?
C25 C24 C44 C45 0.3(15) . . . . ?
C23 C24 C44 C43 0.6(10) . . . . ?
C25 C24 C44 C43 142.3(9) . . . . ?
C57 C43 C44 C45 2(2) . . . . ?
C42 C43 C44 C45 142.5(11) . . . . ?
C57 C43 C44 C24 -141.0(17) . . . . ?
C42 C43 C44 C24 -0.3(10) . . . . ?
C24 C44 C45 C27 -1.0(18) . . . . ?
C43 C44 C45 C27 -137.8(14) . . . . ?
C24 C44 C45 C46 139.6(12) . . . . ?
C43 C44 C45 C46 2.8(17) . . . . ?
C26 C27 C45 C44 3(2) . . . . ?
C28 C27 C45 C44 143.2(13) . . . . ?
C26 C27 C45 C46 -139.2(14) . . . . ?
C28 C27 C45 C46 0.6(16) . . . . ?
C44 C45 C46 C58 0.1(17) . . . . ?
C27 C45 C46 C58 144.2(15) . . . . ?
C44 C45 C46 C47 -144.6(13) . . . . ?
C27 C45 C46 C47 -0.5(16) . . . . ?
C29 C28 C47 C48 2(2) . . . . ?
C27 C28 C47 C48 -141.5(15) . . . . ?
C29 C28 C47 C46 143.8(15) . . . . ?
C27 C28 C47 C46 0.3(18) . . . . ?
C58 C46 C47 C28 -138.4(17) . . . . ?
C45 C46 C47 C28 0.1(16) . . . . ?
C58 C46 C47 C48 6(2) . . . . ?
C45 C46 C47 C48 144.8(12) . . . . ?
C28 C47 C48 C31 1(2) . . . . ?
C46 C47 C48 C31 -138.8(14) . . . . ?
C28 C47 C48 C49 137.9(16) . . . . ?
C46 C47 C48 C49 -2.2(17) . . . . ?
C30 C31 C48 C47 -3.1(17) . . . . ?
C32 C31 C48 C47 140.1(12) . . . . ?
C30 C31 C48 C49 -143.8(9) . . . . ?
C32 C31 C48 C49 -0.6(10) . . . . ?
C47 C48 C49 C59 -1.7(18) . . . . ?
C31 C48 C49 C59 141.2(12) . . . . ?
C47 C48 C49 C50 -142.2(10) . . . . ?
C31 C48 C49 C50 0.7(10) . . . . ?
C33 C32 C50 C51 0.3(13) . . . . ?
C31 C32 C50 C51 -142.5(9) . . . . ?
C33 C32 C50 C49 143.1(9) . . . . ?
C31 C32 C50 C49 0.3(10) . . . . ?
C59 C49 C50 C51 1.2(15) . . . . ?
C48 C49 C50 C51 143.1(9) . . . . ?
C59 C49 C50 C32 -142.5(11) . . . . ?
C48 C49 C50 C32 -0.6(10) . . . . ?
C32 C50 C51 C35 -0.9(13) . . . . ?
C49 C50 C51 C35 -139.4(9) . . . . ?
C32 C50 C51 C52 138.2(9) . . . . ?
C49 C50 C51 C52 -0.4(14) . . . . ?
C34 C35 C51 C50 1.8(13) . . . . ?
C36 C35 C51 C50 141.0(9) . . . . ?
C34 C35 C51 C52 -139.0(9) . . . . ?
C36 C35 C51 C52 0.2(12) . . . . ?
C50 C51 C52 C60 1.9(14) . . . . ?
C35 C51 C52 C60 142.6(10) . . . . ?
C50 C51 C52 C53 -141.3(11) . . . . ?
C35 C51 C52 C53 -0.6(13) . . . . ?
C37 C36 C53 C54 4(3) . . . . ?
C35 C36 C53 C54 -140(2) . . . . ?
C37 C36 C53 C52 143.7(15) . . . . ?
C35 C36 C53 C52 -0.7(14) . . . . ?
C60 C52 C53 C54 10(2) . . . . ?
C51 C52 C53 C54 149.1(14) . . . . ?
C60 C52 C53 C36 -138.8(12) . . . . ?
C51 C52 C53 C36 0.7(13) . . . . ?
C36 C53 C54 C55 130(3) . . . . ?
C52 C53 C54 C55 -8(3) . . . . ?
C36 C53 C54 C39 -8(3) . . . . ?
C52 C53 C54 C39 -146.0(14) . . . . ?
C38 C39 C54 C53 11(2) . . . . ?
C40 C39 C54 C53 147.9(14) . . . . ?
C38 C39 C54 C55 -139.9(16) . . . . ?
C40 C39 C54 C55 -3.3(13) . . . . ?
C53 C54 C55 C56 3(3) . . . . ?
C39 C54 C55 C56 142.8(12) . . . . ?
C53 C54 C55 C41 -137(2) . . . . ?
C39 C54 C55 C41 2.9(15) . . . . ?
C40 C41 C55 C54 -1.6(17) . . . . ?
C42 C41 C55 C54 141.1(14) . . . . ?
C40 C41 C55 C56 -145.1(12) . . . . ?
C42 C41 C55 C56 -2.4(15) . . . . ?
C54 C55 C56 C57 -137.6(18) . . . . ?
C41 C55 C56 C57 3(2) . . . . ?
C54 C55 C56 C60 2.1(17) . . . . ?
C41 C55 C56 C60 142.4(10) . . . . ?
C55 C56 C57 C43 0(3) . . . . ?
C60 C56 C57 C43 -139(2) . . . . ?
C55 C56 C57 C58 143.0(14) . . . . ?
C60 C56 C57 C58 4.0(18) . . . . ?
C42 C43 C57 C56 -4(3) . . . . ?
C44 C43 C57 C56 133(3) . . . . ?
C42 C43 C57 C58 -144.7(15) . . . . ?
C44 C43 C57 C58 -8(2) . . . . ?
C47 C46 C58 C57 126(2) . . . . ?
C45 C46 C58 C57 -8(2) . . . . ?
C47 C46 C58 C59 -6(2) . . . . ?
C45 C46 C58 C59 -139.1(12) . . . . ?
C56 C57 C58 C46 -139.5(18) . . . . ?
C43 C57 C58 C46 11(2) . . . . ?
C56 C57 C58 C59 -4.5(16) . . . . ?
C43 C57 C58 C59 146.3(14) . . . . ?
C50 C49 C59 C60 -3.6(18) . . . . ?
C48 C49 C59 C60 -138.9(14) . . . . ?
C50 C49 C59 C58 137.7(14) . . . . ?
C48 C49 C59 C58 2(2) . . . . ?
C46 C58 C59 C60 145.6(13) . . . . ?
C57 C58 C59 C60 3.5(15) . . . . ?
C46 C58 C59 C49 1.0(19) . . . . ?
C57 C58 C59 C49 -141.1(15) . . . . ?
C49 C59 C60 C52 6(2) . . . . ?
C58 C59 C60 C52 -139.9(12) . . . . ?
C49 C59 C60 C56 144.4(12) . . . . ?
C58 C59 C60 C56 -1.3(14) . . . . ?
C51 C52 C60 C59 -4.9(17) . . . . ?
C53 C52 C60 C59 129.9(16) . . . . ?
C51 C52 C60 C56 -140.7(10) . . . . ?
C53 C52 C60 C56 -5.9(17) . . . . ?
C57 C56 C60 C59 -1.9(18) . . . . ?
C55 C56 C60 C59 -144.6(12) . . . . ?
C57 C56 C60 C52 143.1(14) . . . . ?
C55 C56 C60 C52 0.3(15) . . . . ?
