#------------------------------------------------------------------------------
#$Date: 2020-07-16 04:04:58 +0300 (Thu, 16 Jul 2020) $
#$Revision: 254327 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/85/1558591.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_1558591
loop_
_publ_author_name
'Dang, Li-Long'
'Gao, Xiang'
'Lin, Yue-Jian'
'Jin, Guo-Xin'
_publ_section_title
;
 Selective synthesis and structural transformation between a molecular
 ring-in-ring architecture and an abnormal trefoil knot
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D0SC02733B
_journal_year                    2020
_chemical_formula_sum            'C131 H146 F12 N16 O34 Rh4 S4'
_chemical_formula_weight         3256.51
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2020-06-17 deposited with the CCDC.	2020-07-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.709(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   29.994(2)
_cell_length_b                   14.8641(8)
_cell_length_c                   33.736(2)
_cell_measurement_reflns_used    6760
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      29.33
_cell_measurement_theta_min      3.09
_cell_volume                     14612.2(15)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34138
_diffrn_reflns_av_R_equivalents  0.1004
_diffrn_reflns_av_unetI/netI     0.0846
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            103672
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         55.499
_diffrn_reflns_theta_min         3.012
_exptl_absorpt_coefficient_mu    3.304
_exptl_absorpt_correction_T_max  0.616
_exptl_absorpt_correction_T_min  0.433
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.480
_exptl_crystal_description       block
_exptl_crystal_F_000             6672
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.230
_refine_diff_density_max         0.802
_refine_diff_density_min         -1.173
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1918
_refine_ls_number_reflns         28218
_refine_ls_number_restraints     648
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0955
_refine_ls_R_factor_gt           0.0635
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0953P)²+8.7438P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1654
_refine_ls_wR_factor_ref         0.1886
_reflns_Friedel_coverage         0.000
_reflns_number_gt                19059
_reflns_number_total             28218
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0sc02733b1.cif
_cod_data_source_block           platon_sq_CCDC1
_cod_original_cell_volume        14612.3(16)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1558591
_shelx_shelxl_version_number     2016/6
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.469
_shelx_estimated_absorpt_t_max   0.517
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.79827(2) 0.39107(3) 0.70400(2) 0.04239(11) Uani 1 1 d . . . . .
Rh2 Rh 0.89468(2) 0.65689(3) 0.64395(2) 0.04672(12) Uani 1 1 d . . . . .
Rh3 Rh 0.20642(2) 0.81161(3) 0.66036(2) 0.04847(12) Uani 1 1 d . . . . .
N1 N 0.78668(13) 0.5260(3) 0.67931(13) 0.0454(10) Uani 1 1 d . . . . .
N2 N 0.85378(13) 0.4017(3) 0.67280(12) 0.0446(10) Uani 1 1 d . . . . .
N3 N 0.89568(12) 0.5121(3) 0.65195(12) 0.0455(10) Uani 1 1 d . . . . .
N4 N 0.82758(13) 0.6361(3) 0.65593(13) 0.0455(10) Uani 1 1 d . . . . .
N5 N 0.75072(13) 0.3407(3) 0.65223(12) 0.0450(10) Uani 1 1 d . . . . .
N6 N 0.59453(16) 0.2074(4) 0.58813(17) 0.0700(15) Uani 1 1 d . . . . .
N7 N 0.24680(15) 0.3857(4) 0.55576(14) 0.0622(13) Uani 1 1 d . . . . .
N8 N 0.13557(13) 0.3634(3) 0.41901(13) 0.0490(10) Uani 1 1 d . . . . .
N9 N 0.25855(13) 0.7063(3) 0.66979(13) 0.0486(10) Uani 1 1 d . . . . .
N10 N 0.26763(15) 0.8927(3) 0.66953(14) 0.0548(11) Uani 1 1 d . . . . .
N11 N 0.34483(16) 0.8799(4) 0.69260(15) 0.0630(13) Uani 1 1 d . . . . .
N12 N 0.33555(14) 0.6930(4) 0.69309(14) 0.0570(12) Uani 1 1 d . . . . .
N13 N 0.20586(14) 0.8054(3) 0.59705(14) 0.0507(11) Uani 1 1 d . . . . .
N14 N 0.24155(15) 0.6977(3) 0.46711(14) 0.0546(11) Uani 1 1 d . . . . .
N15 N 0.52040(15) 0.3078(4) 0.45996(15) 0.0662(14) Uani 1 1 d . . . . .
N16 N 0.59051(15) 0.2401(4) 0.34046(15) 0.0646(14) Uani 1 1 d . U . . .
Rh4 Rh 0.3950(2) 0.7848(6) 0.7161(2) 0.0480(10) Uani 0.343(9) 1 d . . P A 1
C115 C 0.4439(3) 0.7218(6) 0.7643(3) 0.070(5) Uani 0.343(9) 1 d G U P A 1
C116 C 0.4575(3) 0.8110(6) 0.7588(3) 0.069(4) Uani 0.343(9) 1 d G U P A 1
C117 C 0.4250(3) 0.8696(6) 0.7691(3) 0.066(5) Uani 0.343(9) 1 d G U P A 1
C118 C 0.3913(3) 0.8167(6) 0.7809(3) 0.053(4) Uani 0.343(9) 1 d G U P A 1
C119 C 0.4030(3) 0.7254(6) 0.7779(3) 0.043(4) Uani 0.343(9) 1 d G U P A 1
C120 C 0.4686(4) 0.6381(8) 0.7569(4) 0.083(6) Uani 0.343(9) 1 d G U P A 1
H12A H 0.479943 0.645483 0.732101 0.125 Uiso 0.343(9) 1 calc R U P A 1
H12B H 0.447491 0.586830 0.753489 0.125 Uiso 0.343(9) 1 calc R U P A 1
H12C H 0.494557 0.627168 0.780189 0.125 Uiso 0.343(9) 1 calc R U P A 1
C121 C 0.4992(4) 0.8385(9) 0.7445(5) 0.073(6) Uani 0.343(9) 1 d G U P A 1
H12D H 0.520299 0.871442 0.766388 0.110 Uiso 0.343(9) 1 calc R U P A 1
H12E H 0.490048 0.877348 0.720508 0.110 Uiso 0.343(9) 1 calc R U P A 1
H12F H 0.514647 0.784850 0.737434 0.110 Uiso 0.343(9) 1 calc R U P A 1
C122 C 0.4261(4) 0.9704(8) 0.7677(5) 0.081(7) Uani 0.343(9) 1 d G U P A 1
H12G H 0.399287 0.992275 0.747332 0.121 Uiso 0.343(9) 1 calc R U P A 1
H12H H 0.454176 0.990125 0.760190 0.121 Uiso 0.343(9) 1 calc R U P A 1
H12I H 0.425470 0.994674 0.794533 0.121 Uiso 0.343(9) 1 calc R U P A 1
C123 C 0.3502(4) 0.8514(9) 0.7943(4) 0.087(7) Uani 0.343(9) 1 d G U P A 1
H12J H 0.359521 0.870564 0.822839 0.131 Uiso 0.343(9) 1 calc R U P A 1
H12K H 0.327171 0.803666 0.791514 0.131 Uiso 0.343(9) 1 calc R U P A 1
H12L H 0.337165 0.902744 0.777185 0.131 Uiso 0.343(9) 1 calc R U P A 1
C124 C 0.3765(5) 0.6460(8) 0.7876(4) 0.086(7) Uani 0.343(9) 1 d G U P A 1
H12M H 0.380925 0.640853 0.817237 0.130 Uiso 0.343(9) 1 calc R U P A 1
H12N H 0.387524 0.591147 0.776937 0.130 Uiso 0.343(9) 1 calc R U P A 1
H12O H 0.343824 0.654265 0.774947 0.130 Uiso 0.343(9) 1 calc R U P A 1
Rh4' Rh 0.39531(12) 0.7734(3) 0.71871(14) 0.0678(10) Uani 0.657(9) 1 d . . P A
2
C215 C 0.46316(16) 0.7319(4) 0.75516(15) 0.068(3) Uani 0.657(9) 1 d G U P A 2
C216 C 0.45926(16) 0.8271(4) 0.75676(18) 0.063(3) Uani 0.657(9) 1 d G U P A 2
C217 C 0.42120(19) 0.8476(4) 0.77356(19) 0.081(3) Uani 0.657(9) 1 d G U P A 2
C218 C 0.40157(18) 0.7650(5) 0.78234(17) 0.070(3) Uani 0.657(9) 1 d G U P A 2
C219 C 0.42751(18) 0.6935(4) 0.77096(16) 0.077(3) Uani 0.657(9) 1 d G U P A 2
C220 C 0.4989(2) 0.6805(5) 0.7394(2) 0.089(4) Uani 0.657(9) 1 d G U P A 2
H22A H 0.488847 0.618083 0.733862 0.133 Uiso 0.657(9) 1 calc R U P A 2
H22B H 0.528129 0.681548 0.759945 0.133 Uiso 0.657(9) 1 calc R U P A 2
H22C H 0.502945 0.708577 0.714201 0.133 Uiso 0.657(9) 1 calc R U P A 2
C221 C 0.4902(3) 0.8948(5) 0.7430(3) 0.091(4) Uani 0.657(9) 1 d G U P A 2
H22D H 0.473267 0.950966 0.735244 0.137 Uiso 0.657(9) 1 calc R U P A 2
H22E H 0.500201 0.870673 0.719529 0.137 Uiso 0.657(9) 1 calc R U P A 2
H22F H 0.517006 0.906443 0.765392 0.137 Uiso 0.657(9) 1 calc R U P A 2
C222 C 0.4045(3) 0.9408(6) 0.7808(3) 0.133(7) Uani 0.657(9) 1 d G U P A 2
H22G H 0.424090 0.985874 0.772119 0.199 Uiso 0.657(9) 1 calc R U P A 2
H22H H 0.372799 0.948365 0.765106 0.199 Uiso 0.657(9) 1 calc R U P A 2
H22I H 0.405910 0.948598 0.809928 0.199 Uiso 0.657(9) 1 calc R U P A 2
C223 C 0.3604(3) 0.7550(7) 0.8006(3) 0.137(7) Uani 0.657(9) 1 d G U P A 2
H22J H 0.369716 0.725307 0.827168 0.205 Uiso 0.657(9) 1 calc R U P A 2
H22K H 0.336925 0.718671 0.782319 0.205 Uiso 0.657(9) 1 calc R U P A 2
H22L H 0.347815 0.814598 0.803988 0.205 Uiso 0.657(9) 1 calc R U P A 2
C224 C 0.4187(3) 0.5941(5) 0.7750(3) 0.110(5) Uani 0.657(9) 1 d G U P A 2
H22M H 0.443198 0.559448 0.767361 0.165 Uiso 0.657(9) 1 calc R U P A 2
H22N H 0.389120 0.578116 0.756868 0.165 Uiso 0.657(9) 1 calc R U P A 2
H22O H 0.418120 0.580475 0.803249 0.165 Uiso 0.657(9) 1 calc R U P A 2
C125 C 0.0322(7) 0.8694(16) 0.7701(8) 0.078(6) Uani 0.38(3) 1 d D U P B 1
F1 F 0.0564(10) 0.892(3) 0.8060(8) 0.148(12) Uani 0.38(3) 1 d D U P B 1
F2 F -0.0046(6) 0.8239(17) 0.7684(8) 0.113(8) Uani 0.38(3) 1 d D U P B 1
F3 F 0.0083(11) 0.943(2) 0.7571(12) 0.182(12) Uani 0.38(3) 1 d D U P B 1
C225 C 0.0456(8) 0.8534(12) 0.7800(8) 0.110(6) Uani 0.62(3) 1 d D U P B 2
F1' F 0.0714(9) 0.8311(16) 0.8161(6) 0.207(10) Uani 0.62(3) 1 d D U P B 2
F2' F 0.0138(9) 0.7975(14) 0.7833(8) 0.178(9) Uani 0.62(3) 1 d D U P B 2
F3' F 0.0364(7) 0.9390(9) 0.7841(7) 0.120(7) Uani 0.62(3) 1 d D U P B 2
S3 S 0.90349(12) 0.0137(4) 0.80700(13) 0.0853(16) Uani 0.691(13) 1 d D U P C 1
O15 O 0.8626(3) -0.0340(8) 0.8053(4) 0.111(4) Uani 0.691(13) 1 d . U P C 1
O16 O 0.9036(6) 0.1048(8) 0.8242(5) 0.129(5) Uani 0.691(13) 1 d D U P C 1
O17 O 0.9219(4) 0.0035(11) 0.7710(3) 0.120(4) Uani 0.691(13) 1 d . U P C 1
S3' S 0.9175(5) 0.0658(13) 0.8180(4) 0.118(4) Uani 0.309(13) 1 d D U P C 2
O15' O 0.8721(8) 0.029(3) 0.8021(9) 0.139(9) Uani 0.309(13) 1 d D U P C 2
O16' O 0.9262(13) 0.132(2) 0.8496(10) 0.164(13) Uani 0.309(13) 1 d D U P C 2
O17' O 0.9372(10) 0.081(2) 0.7832(7) 0.130(10) Uani 0.309(13) 1 d D U P C 2
O1 O 0.57315(14) 0.3302(3) 0.54647(12) 0.0634(10) Uani 1 1 d . . . . .
O2 O 0.59541(18) 0.0902(5) 0.6325(2) 0.130(3) Uani 1 1 d . . . . .
O3 O 0.25744(16) 0.2351(4) 0.56961(17) 0.0903(16) Uani 1 1 d . . . . .
O4 O 0.25892(15) 0.5351(4) 0.54509(14) 0.0757(12) Uani 1 1 d . . . . .
O5 O 0.31619(14) 0.7339(3) 0.49805(14) 0.0697(11) Uani 1 1 d . . . . .
O6 O 0.17670(12) 0.6225(3) 0.43193(12) 0.0651(11) Uani 1 1 d . . . . .
O7 O 0.51804(14) 0.4617(4) 0.45355(14) 0.0780(13) Uani 1 1 d . . . . .
O8 O 0.50319(19) 0.1614(5) 0.4720(2) 0.113(2) Uani 1 1 d . . . . .
O9 O 0.0748(3) 0.7358(7) 0.7453(3) 0.171(3) Uani 1 1 d . . . . .
O10 O 0.0354(3) 0.8507(6) 0.7023(2) 0.144(3) Uani 1 1 d . . . . .
O11 O 0.1028(3) 0.8893(8) 0.7438(3) 0.238(6) Uani 1 1 d . U . . .
O12 O 0.1077(3) 0.3864(5) 0.5878(3) 0.143(3) Uani 1 1 d . . . . .
O13 O 0.12977(18) 0.5389(4) 0.5822(2) 0.116(2) Uani 1 1 d . . . . .
O14 O 0.0818(3) 0.5009(6) 0.6284(2) 0.143(3) Uani 1 1 d . . . . .
S1 S 0.06711(6) 0.83008(19) 0.73848(8) 0.1007(8) Uani 1 1 d . . . . .
S2 S 0.09733(7) 0.47841(18) 0.59344(6) 0.0942(6) Uani 1 1 d . . . . .
F4 F 0.05265(19) 0.4803(6) 0.51851(16) 0.167(3) Uani 1 1 d . U . . .
F5 F 0.0115(2) 0.4491(7) 0.5590(2) 0.190(4) Uani 1 1 d . U . . .
F6 F 0.0339(2) 0.5847(7) 0.5551(2) 0.173(3) Uani 1 1 d . U . . .
F7 F 0.98833(15) -0.0094(5) 0.85139(17) 0.135(2) Uani 1 1 d . . . . .
F8 F 0.9338(2) -0.0464(4) 0.87890(16) 0.1272(18) Uani 1 1 d . . . . .
F9 F 0.9486(3) -0.1218(6) 0.8301(3) 0.178(3) Uani 1 1 d . . . . .
C1 C 0.82479(15) 0.5515(4) 0.66798(15) 0.0431(11) Uani 1 1 d . . . . .
C2 C 0.85879(15) 0.4873(4) 0.66473(15) 0.0444(12) Uani 1 1 d . . . . .
C3 C 0.89253(15) 0.3621(4) 0.66379(15) 0.0430(11) Uani 1 1 d . . . . .
C4 C 0.90620(18) 0.2724(4) 0.66465(17) 0.0525(13) Uani 1 1 d . . . . .
H4 H 0.888602 0.225701 0.672741 0.063 Uiso 1 1 calc R U . . .
C5 C 0.94672(19) 0.2544(4) 0.65314(18) 0.0592(15) Uani 1 1 d . . . . .
H5 H 0.957416 0.194121 0.654047 0.071 Uiso 1 1 calc R U . . .
C6 C 0.9724(2) 0.3224(5) 0.64020(19) 0.0637(16) Uani 1 1 d . . . . .
H6 H 0.999970 0.307185 0.632518 0.076 Uiso 1 1 calc R U . . .
C7 C 0.95856(16) 0.4104(4) 0.63842(17) 0.0540(14) Uani 1 1 d . . . . .
H7 H 0.975726 0.456232 0.629188 0.065 Uiso 1 1 calc R U . . .
C8 C 0.91827(16) 0.4305(4) 0.65066(15) 0.0459(12) Uani 1 1 d . . . . .
C9 C 0.78593(16) 0.6723(4) 0.65865(15) 0.0447(11) Uani 1 1 d . . . . .
C10 C 0.76692(17) 0.7572(4) 0.64824(16) 0.0512(13) Uani 1 1 d . . . . .
H10 H 0.783882 0.803482 0.639082 0.061 Uiso 1 1 calc R U . . .
C11 C 0.7227(2) 0.7713(4) 0.65172(17) 0.0549(14) Uani 1 1 d . . . . .
H11 H 0.708997 0.828598 0.644908 0.066 Uiso 1 1 calc R U . . .
C12 C 0.69778(18) 0.7044(4) 0.66486(17) 0.0554(14) Uani 1 1 d . . . . .
H12 H 0.667196 0.717002 0.666450 0.067 Uiso 1 1 calc R U . . .
C13 C 0.71543(17) 0.6202(4) 0.67575(16) 0.0480(12) Uani 1 1 d . . . . .
H13 H 0.697763 0.575067 0.684845 0.058 Uiso 1 1 calc R U . . .
C14 C 0.76044(16) 0.6037(4) 0.67289(15) 0.0440(11) Uani 1 1 d . . . . .
C15 C 0.75770(17) 0.2625(4) 0.63527(16) 0.0499(13) Uani 1 1 d . . . . .
H15 H 0.788145 0.240176 0.639526 0.060 Uiso 1 1 calc R U . . .
C16 C 0.72240(18) 0.2132(4) 0.61184(17) 0.0548(14) Uani 1 1 d . . . . .
H16 H 0.728517 0.157580 0.600283 0.066 Uiso 1 1 calc R U . . .
C17 C 0.67760(17) 0.2451(4) 0.60513(17) 0.0549(14) Uani 1 1 d . . . . .
C18 C 0.67096(17) 0.3270(4) 0.62116(17) 0.0547(14) Uani 1 1 d . . . . .
H18 H 0.640950 0.351751 0.616345 0.066 Uiso 1 1 calc R U . . .
C19 C 0.70756(16) 0.3737(4) 0.64424(16) 0.0496(13) Uani 1 1 d . . . . .
H19 H 0.702355 0.430880 0.654894 0.060 Uiso 1 1 calc R U . . .
C20 C 0.63914(19) 0.1901(5) 0.5791(2) 0.0679(17) Uani 1 1 d . . . . .
H20A H 0.637067 0.203693 0.550013 0.082 Uiso 1 1 calc R U . . .
H20B H 0.646577 0.125415 0.583490 0.082 Uiso 1 1 calc R U . . .
C21 C 0.56444(19) 0.2742(5) 0.56929(19) 0.0627(16) Uani 1 1 d . . . . .
C22 C 0.52189(19) 0.2620(5) 0.5844(2) 0.0690(18) Uani 1 1 d . . . . .
C23 C 0.48161(19) 0.3092(5) 0.5753(2) 0.0688(17) Uani 1 1 d . . . . .
H23 H 0.477726 0.359563 0.557503 0.083 Uiso 1 1 calc R U . . .
C24 C 0.4466(2) 0.2812(6) 0.5929(2) 0.087(2) Uani 1 1 d . . . . .
C25 C 0.4537(2) 0.2077(7) 0.6190(3) 0.111(3) Uani 1 1 d . U . . .
H25 H 0.429661 0.189097 0.631026 0.133 Uiso 1 1 calc R U . . .
C26 C 0.4941(3) 0.1611(7) 0.6280(3) 0.128(4) Uani 1 1 d . U . . .
H26 H 0.498066 0.110910 0.645886 0.154 Uiso 1 1 calc R U . . .
C27 C 0.5288(2) 0.1886(7) 0.6105(3) 0.100(3) Uani 1 1 d . . . . .
C28 C 0.5756(2) 0.1530(6) 0.6136(3) 0.098(3) Uani 1 1 d . . . . .
C29 C 0.2727(2) 0.3090(6) 0.5660(2) 0.0723(19) Uani 1 1 d . . . . .
C30 C 0.3213(2) 0.3371(5) 0.57195(19) 0.0668(17) Uani 1 1 d . . . . .
C31 C 0.3610(2) 0.2867(6) 0.5814(2) 0.077(2) Uani 1 1 d . . . . .
H31 H 0.360036 0.223500 0.585384 0.093 Uiso 1 1 calc R U . . .
C32 C 0.4026(2) 0.3317(6) 0.5850(2) 0.077(2) Uani 1 1 d . . . . .
C33 C 0.4026(2) 0.4254(6) 0.57929(19) 0.0740(19) Uani 1 1 d . . . . .
H33 H 0.431154 0.455471 0.582266 0.089 Uiso 1 1 calc R U . . .
C34 C 0.3625(2) 0.4754(5) 0.56951(19) 0.0709(18) Uani 1 1 d . . . . .
H34 H 0.362885 0.538604 0.565307 0.085 Uiso 1 1 calc R U . . .
C35 C 0.32169(18) 0.4287(5) 0.56618(17) 0.0619(16) Uani 1 1 d . . . . .
C36 C 0.2740(2) 0.4613(5) 0.55414(17) 0.0619(15) Uani 1 1 d . . . . .
C37 C 0.19668(18) 0.3901(5) 0.54770(17) 0.0660(17) Uani 1 1 d . . . . .
H37A H 0.187438 0.448616 0.557235 0.079 Uiso 1 1 calc R U . . .
H37B H 0.185438 0.341848 0.563107 0.079 Uiso 1 1 calc R U . . .
C38 C 0.12405(17) 0.4308(4) 0.44100(18) 0.0546(14) Uani 1 1 d . . . . .
H38 H 0.101787 0.473090 0.427629 0.066 Uiso 1 1 calc R U . . .
C39 C 0.14293(17) 0.4415(4) 0.48200(17) 0.0581(14) Uani 1 1 d . . . . .
H39 H 0.134257 0.490985 0.496342 0.070 Uiso 1 1 calc R U . . .
C40 C 0.17486(17) 0.3792(4) 0.50225(17) 0.0573(15) Uani 1 1 d . . . . .
C41 C 0.1872(2) 0.3115(5) 0.47979(19) 0.0654(16) Uani 1 1 d . . . . .
H41 H 0.209637 0.268791 0.492440 0.078 Uiso 1 1 calc R U . . .
C42 C 0.16716(19) 0.3051(4) 0.43897(18) 0.0595(14) Uani 1 1 d . . . . .
H42 H 0.176076 0.256903 0.424027 0.071 Uiso 1 1 calc R U . . .
C43 C 0.76803(18) 0.3117(4) 0.74430(16) 0.0518(13) Uani 1 1 d . . . . .
C44 C 0.8116(2) 0.2776(4) 0.74398(18) 0.0596(15) Uani 1 1 d . . . . .
C45 C 0.84410(19) 0.3449(6) 0.75967(17) 0.0678(18) Uani 1 1 d . . . . .
C46 C 0.8204(2) 0.4241(5) 0.76744(17) 0.0686(18) Uani 1 1 d . . . . .
C47 C 0.7710(2) 0.4009(4) 0.75771(16) 0.0551(14) Uani 1 1 d . . . . .
C48 C 0.7236(3) 0.2603(6) 0.7322(2) 0.091(2) Uani 1 1 d . . . . .
H48A H 0.718541 0.227132 0.755853 0.136 Uiso 1 1 calc R U . . .
H48B H 0.725221 0.217844 0.710354 0.136 Uiso 1 1 calc R U . . .
H48C H 0.698255 0.302413 0.722543 0.136 Uiso 1 1 calc R U . . .
C49 C 0.8214(3) 0.1835(5) 0.7321(3) 0.092(2) Uani 1 1 d . . . . .
H49A H 0.818832 0.141760 0.753904 0.138 Uiso 1 1 calc R U . . .
H49B H 0.852541 0.180726 0.727724 0.138 Uiso 1 1 calc R U . . .
H49C H 0.799245 0.166732 0.706848 0.138 Uiso 1 1 calc R U . . .
C50 C 0.8944(2) 0.3333(7) 0.7670(2) 0.106(3) Uani 1 1 d . . . . .
H50A H 0.909114 0.392494 0.768619 0.158 Uiso 1 1 calc R U . . .
H50B H 0.901548 0.298808 0.744583 0.158 Uiso 1 1 calc R U . . .
H50C H 0.905762 0.301014 0.792757 0.158 Uiso 1 1 calc R U . . .
C51 C 0.8407(4) 0.5102(7) 0.7844(3) 0.119(3) Uani 1 1 d . . . . .
H51A H 0.843356 0.511147 0.813897 0.178 Uiso 1 1 calc R U . . .
H51B H 0.821111 0.559901 0.771532 0.178 Uiso 1 1 calc R U . . .
H51C H 0.871287 0.516694 0.779011 0.178 Uiso 1 1 calc R U . . .
C52 C 0.7338(3) 0.4599(6) 0.7642(2) 0.103(3) Uani 1 1 d . . . . .
H52A H 0.704646 0.440970 0.746246 0.155 Uiso 1 1 calc R U . . .
H52B H 0.740340 0.522242 0.757948 0.155 Uiso 1 1 calc R U . . .
H52C H 0.731757 0.455728 0.792696 0.155 Uiso 1 1 calc R U . . .
C53 C 0.9127(2) 0.7957(4) 0.6473(2) 0.0686(18) Uani 1 1 d . . . . .
C54 C 0.9126(2) 0.7643(5) 0.6874(3) 0.081(2) Uani 1 1 d . . . . .
C55 C 0.9460(2) 0.6930(5) 0.6968(2) 0.0696(18) Uani 1 1 d . . . . .
C56 C 0.96701(18) 0.6871(5) 0.6628(2) 0.0709(18) Uani 1 1 d . . . . .
C57 C 0.9469(2) 0.7487(5) 0.6347(2) 0.0737(19) Uani 1 1 d . . . . .
C58 C 0.8862(3) 0.8714(6) 0.6241(4) 0.142(5) Uani 1 1 d . U . . .
H58A H 0.903208 0.927665 0.631378 0.214 Uiso 1 1 calc R U . . .
H58B H 0.856311 0.875931 0.630977 0.214 Uiso 1 1 calc R U . . .
H58C H 0.881684 0.860383 0.594814 0.214 Uiso 1 1 calc R U . . .
C59 C 0.8837(3) 0.7986(8) 0.7140(3) 0.132(4) Uani 1 1 d . U . . .
H59A H 0.900993 0.842894 0.733087 0.198 Uiso 1 1 calc R U . . .
H59B H 0.874696 0.748463 0.729353 0.198 Uiso 1 1 calc R U . . .
H59C H 0.856090 0.826972 0.697229 0.198 Uiso 1 1 calc R U . . .
C60 C 0.9584(4) 0.6363(7) 0.7350(3) 0.135(4) Uani 1 1 d . U . . .
H60A H 0.957692 0.572520 0.727531 0.203 Uiso 1 1 calc R U . . .
H60B H 0.936368 0.647309 0.751764 0.203 Uiso 1 1 calc R U . . .
H60C H 0.989340 0.652253 0.750596 0.203 Uiso 1 1 calc R U . . .
C61 C 1.0061(2) 0.6257(6) 0.6618(3) 0.114(3) Uani 1 1 d . U . . .
H61A H 1.008675 0.618277 0.633528 0.171 Uiso 1 1 calc R U . . .
H61B H 1.000760 0.566949 0.672995 0.171 Uiso 1 1 calc R U . . .
H61C H 1.034679 0.651504 0.678140 0.171 Uiso 1 1 calc R U . . .
C62 C 0.9602(3) 0.7647(8) 0.5945(3) 0.128(4) Uani 1 1 d . U . . .
H62A H 0.976109 0.822481 0.595511 0.192 Uiso 1 1 calc R U . . .
H62B H 0.932477 0.765539 0.572158 0.192 Uiso 1 1 calc R U . . .
H62C H 0.980509 0.716220 0.589817 0.192 Uiso 1 1 calc R U . . .
C63 C 0.29907(17) 0.7458(4) 0.68371(17) 0.0535(14) Uani 1 1 d . . . . .
C64 C 0.30346(18) 0.8397(4) 0.68318(17) 0.0545(14) Uani 1 1 d . . . . .
C65 C 0.2867(2) 0.9782(5) 0.66917(18) 0.0625(16) Uani 1 1 d . . . . .
C66 C 0.2666(3) 1.0606(5) 0.65651(19) 0.0696(17) Uani 1 1 d . . . . .
H66 H 0.234421 1.066533 0.646335 0.084 Uiso 1 1 calc R U . . .
C67 C 0.2960(3) 1.1346(5) 0.6594(2) 0.083(2) Uani 1 1 d . . . . .
H67 H 0.283210 1.192089 0.651324 0.100 Uiso 1 1 calc R U . . .
C68 C 0.3430(4) 1.1274(7) 0.6737(2) 0.096(3) Uani 1 1 d . . . . .
H68 H 0.361565 1.179568 0.675047 0.115 Uiso 1 1 calc R U . . .
C69 C 0.3633(3) 1.0455(6) 0.6860(2) 0.080(2) Uani 1 1 d . . . . .
H69 H 0.395630 1.040582 0.695589 0.097 Uiso 1 1 calc R U . . .
C70 C 0.3351(2) 0.9701(5) 0.68391(19) 0.0683(18) Uani 1 1 d . . . . .
C71 C 0.31822(17) 0.6083(4) 0.68347(16) 0.0506(13) Uani 1 1 d . . . . .
C72 C 0.3395(2) 0.5244(5) 0.68355(17) 0.0611(15) Uani 1 1 d . . . . .
H72 H 0.371852 0.518375 0.692317 0.073 Uiso 1 1 calc R U . . .
C73 C 0.3118(2) 0.4508(5) 0.67048(18) 0.0634(16) Uani 1 1 d . . . . .
H73 H 0.325473 0.393019 0.670738 0.076 Uiso 1 1 calc R U . . .
C74 C 0.2638(2) 0.4594(4) 0.65673(17) 0.0585(14) Uani 1 1 d . . . . .
H74 H 0.245878 0.407207 0.647823 0.070 Uiso 1 1 calc R U . . .
C75 C 0.24228(17) 0.5406(4) 0.65589(15) 0.0507(13) Uani 1 1 d . . . . .
H75 H 0.209882 0.545476 0.646730 0.061 Uiso 1 1 calc R U . . .
C76 C 0.26940(16) 0.6162(4) 0.66892(15) 0.0486(13) Uani 1 1 d . . . . .
C77 C 0.19951(19) 0.7269(4) 0.57789(16) 0.0528(13) Uani 1 1 d . . . . .
H77 H 0.192001 0.675980 0.592064 0.063 Uiso 1 1 calc R U . . .
C78 C 0.2034(2) 0.7160(4) 0.53819(17) 0.0553(13) Uani 1 1 d . . . . .
H78 H 0.198571 0.658698 0.525394 0.066 Uiso 1 1 calc R U . . .
C79 C 0.21426(18) 0.7894(4) 0.51742(17) 0.0524(13) Uani 1 1 d . . . . .
C80 C 0.2188(2) 0.8716(4) 0.53719(19) 0.0637(16) Uani 1 1 d . . . . .
H80 H 0.225226 0.924153 0.523525 0.076 Uiso 1 1 calc R U . . .
C81 C 0.2141(2) 0.8770(4) 0.57661(19) 0.0624(15) Uani 1 1 d . . . . .
H81 H 0.216835 0.934094 0.589639 0.075 Uiso 1 1 calc R U . . .
C82 C 0.2205(2) 0.7818(4) 0.47437(17) 0.0596(15) Uani 1 1 d . . . . .
H82A H 0.190221 0.787263 0.454931 0.072 Uiso 1 1 calc R U . . .
H82B H 0.239906 0.832296 0.469141 0.072 Uiso 1 1 calc R U . . .
C83 C 0.28813(19) 0.6809(4) 0.47957(18) 0.0567(14) Uani 1 1 d . . . . .
C84 C 0.29555(17) 0.5897(4) 0.46473(16) 0.0512(13) Uani 1 1 d . . . . .
C85 C 0.33449(17) 0.5390(4) 0.46915(16) 0.0531(14) Uani 1 1 d . . . . .
H85 H 0.363399 0.562980 0.482830 0.064 Uiso 1 1 calc R U . . .
C86 C 0.33149(17) 0.4523(4) 0.45353(16) 0.0503(13) Uani 1 1 d . . . . .
C87 C 0.28809(17) 0.4198(4) 0.43278(15) 0.0510(13) Uani 1 1 d . . . . .
H87 H 0.285752 0.360847 0.421591 0.061 Uiso 1 1 calc R U . . .
C88 C 0.24891(17) 0.4712(4) 0.42829(16) 0.0535(14) Uani 1 1 d . . . . .
H88 H 0.219912 0.448730 0.413958 0.064 Uiso 1 1 calc R U . . .
C89 C 0.25305(16) 0.5553(4) 0.44505(14) 0.0474(12) Uani 1 1 d . . . . .
C90 C 0.21754(19) 0.6246(4) 0.44578(16) 0.0559(14) Uani 1 1 d . . . . .
C91 C 0.4997(2) 0.3908(5) 0.45771(18) 0.0652(17) Uani 1 1 d . . . . .
C92 C 0.45168(18) 0.3739(5) 0.46052(17) 0.0570(15) Uani 1 1 d . . . . .
C93 C 0.41515(17) 0.4313(4) 0.45697(17) 0.0544(13) Uani 1 1 d . . . . .
H93 H 0.418617 0.494126 0.453380 0.065 Uiso 1 1 calc R U . . .
C94 C 0.37242(18) 0.3948(4) 0.45880(17) 0.0552(14) Uani 1 1 d . . . . .
C95 C 0.3695(2) 0.3042(5) 0.4658(2) 0.0742(19) Uani 1 1 d . . . . .
H95 H 0.340832 0.280445 0.468170 0.089 Uiso 1 1 calc R U . . .
C96 C 0.4060(2) 0.2461(5) 0.4696(3) 0.082(2) Uani 1 1 d . . . . .
H96 H 0.402979 0.183690 0.474466 0.098 Uiso 1 1 calc R U . . .
C97 C 0.4473(2) 0.2827(5) 0.4659(2) 0.0662(16) Uani 1 1 d . . . . .
C98 C 0.4919(2) 0.2380(6) 0.4667(2) 0.078(2) Uani 1 1 d . . . . .
C99 C 0.56850(19) 0.2924(6) 0.4598(2) 0.084(2) Uani 1 1 d . . . . .
H99A H 0.580055 0.240039 0.477395 0.101 Uiso 1 1 calc R U . . .
H99B H 0.586794 0.345569 0.471497 0.101 Uiso 1 1 calc R U . . .
C100 C 0.5683(4) 0.3088(7) 0.3483(3) 0.117(3) Uani 1 1 d . U . . .
H100 H 0.557137 0.350267 0.326772 0.140 Uiso 1 1 calc R U . . .
C101 C 0.5597(4) 0.3266(8) 0.3858(3) 0.119(3) Uani 1 1 d . U . . .
H101 H 0.541782 0.377807 0.388713 0.143 Uiso 1 1 calc R U . . .
C102 C 0.57528(18) 0.2752(5) 0.41779(18) 0.0662(17) Uani 1 1 d . U . . .
C103 C 0.6003(4) 0.2103(8) 0.4100(3) 0.136(3) Uani 1 1 d . U . . .
H103 H 0.615005 0.173152 0.432209 0.163 Uiso 1 1 calc R U . . .
C104 C 0.6076(4) 0.1904(8) 0.3721(3) 0.130(3) Uani 1 1 d . U . . .
H104 H 0.625461 0.139171 0.369106 0.156 Uiso 1 1 calc R U . . .
C105 C 0.1581(2) 0.7442(5) 0.6889(2) 0.0655(17) Uani 1 1 d . . . . .
C106 C 0.1867(2) 0.8036(4) 0.71694(17) 0.0571(14) Uani 1 1 d . . . . .
C107 C 0.17880(19) 0.8925(4) 0.70156(17) 0.0561(14) Uani 1 1 d . . . . .
C108 C 0.14710(19) 0.8893(4) 0.66254(19) 0.0598(15) Uani 1 1 d . . . . .
C109 C 0.13375(17) 0.7966(5) 0.65501(19) 0.0593(15) Uani 1 1 d . . . . .
C110 C 0.1532(3) 0.6460(5) 0.6957(3) 0.085(2) Uani 1 1 d . . . . .
H11A H 0.183506 0.619640 0.706831 0.128 Uiso 1 1 calc R U . . .
H11B H 0.138926 0.616827 0.669761 0.128 Uiso 1 1 calc R U . . .
H11C H 0.133822 0.637023 0.715071 0.128 Uiso 1 1 calc R U . . .
C111 C 0.2166(3) 0.7784(5) 0.7569(2) 0.0774(19) Uani 1 1 d . . . . .
H11D H 0.198395 0.776514 0.777519 0.116 Uiso 1 1 calc R U . . .
H11E H 0.241139 0.823083 0.764934 0.116 Uiso 1 1 calc R U . . .
H11F H 0.230091 0.719095 0.754860 0.116 Uiso 1 1 calc R U . . .
C112 C 0.1998(2) 0.9757(5) 0.7229(2) 0.0697(17) Uani 1 1 d . . . . .
H11G H 0.181912 0.995680 0.742022 0.104 Uiso 1 1 calc R U . . .
H11H H 0.200035 1.023095 0.702721 0.104 Uiso 1 1 calc R U . . .
H11I H 0.231401 0.962860 0.737824 0.104 Uiso 1 1 calc R U . . .
C113 C 0.1267(2) 0.9657(5) 0.6361(2) 0.0748(18) Uani 1 1 d . . . . .
H11J H 0.125995 0.951520 0.607621 0.112 Uiso 1 1 calc R U . . .
H11K H 0.145190 1.019898 0.644341 0.112 Uiso 1 1 calc R U . . .
H11L H 0.095321 0.976322 0.638957 0.112 Uiso 1 1 calc R U . . .
C114 C 0.0994(2) 0.7616(6) 0.6188(2) 0.088(2) Uani 1 1 d . . . . .
H11M H 0.068387 0.774425 0.621906 0.132 Uiso 1 1 calc R U . . .
H11N H 0.103337 0.696448 0.616678 0.132 Uiso 1 1 calc R U . . .
H11O H 0.104028 0.790900 0.594063 0.132 Uiso 1 1 calc R U . . .
C126 C 0.0470(3) 0.4961(9) 0.5539(3) 0.114(3) Uani 1 1 d . . . . .
C127 C 0.9466(3) -0.0378(8) 0.8437(3) 0.105(3) Uani 1 1 d D . . . .
S4 S 0.71599(15) 0.9620(3) 0.56882(15) 0.0898(19) Uani 0.500(8) 1 d D U P D 1
O18 O 0.7536(5) 0.9669(9) 0.6050(4) 0.103(4) Uani 0.500(8) 1 d . U P D 1
O19 O 0.6933(9) 1.0439(15) 0.5311(10) 0.188(10) Uani 0.500(8) 1 d . U P D 1
O20 O 0.6739(12) 0.935(2) 0.5768(10) 0.162(10) Uani 0.500(8) 1 d . U P D 1
C128 C 0.7328(7) 0.8887(11) 0.5356(5) 0.117(7) Uani 0.500(8) 1 d D U P D 1
F10 F 0.7435(4) 0.8095(7) 0.5547(3) 0.095(3) Uani 0.500(8) 1 d D U P D 1
F11 F 0.6987(5) 0.8693(8) 0.5022(3) 0.126(4) Uani 0.500(8) 1 d D U P D 1
F12 F 0.7741(11) 0.927(3) 0.5359(11) 0.271(15) Uani 0.500(8) 1 d D U P D 1
S4' S 0.7505(3) 0.9546(7) 0.5524(3) 0.158(4) Uani 0.500(8) 1 d D U P D 2
O18' O 0.7762(12) 0.956(3) 0.5926(6) 0.317(19) Uani 0.500(8) 1 d D U P D 2
O19' O 0.7205(7) 1.0402(10) 0.5455(5) 0.141(8) Uani 0.500(8) 1 d D U P D 2
O20' O 0.7670(8) 0.9282(17) 0.5177(7) 0.183(9) Uani 0.500(8) 1 d D U P D 2
C228 C 0.7001(8) 0.8877(15) 0.5356(9) 0.24(2) Uani 0.500(8) 1 d D U P D 2
F10' F 0.7203(9) 0.8087(15) 0.5370(10) 0.288(13) Uani 0.500(8) 1 d D U P D 2
F11' F 0.6741(12) 0.920(2) 0.5015(9) 0.336(15) Uani 0.500(8) 1 d D U P D 2
F12' F 0.6771(7) 0.8975(18) 0.5640(8) 0.162(8) Uani 0.500(8) 1 d D U P D 2
O21 O 0.9113(2) 0.0500(4) 0.6924(2) 0.122(2) Uani 1 1 d . . . . .
O22 O 0.9850(2) 0.9937(6) 0.6595(3) 0.150(3) Uani 1 1 d . . . . .
O23 O 0.8316(5) 0.0865(9) 0.6332(6) 0.127(5) Uani 0.691(13) 1 d . U P . .
O23' O 0.8146(11) 0.076(3) 0.6465(12) 0.128(12) Uani 0.309(13) 1 d . U P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -0.0161 2.8414 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2925 0.4295 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N5 Rh1 C44 103.3(2) . . ?
N5 Rh1 C46 153.6(2) . . ?
C44 Rh1 C46 65.4(3) . . ?
N5 Rh1 C43 91.42(18) . . ?
C44 Rh1 C43 38.2(2) . . ?
C46 Rh1 C43 64.7(2) . . ?
N5 Rh1 C45 140.5(3) . . ?
C44 Rh1 C45 38.3(3) . . ?
C46 Rh1 C45 38.8(3) . . ?
C43 Rh1 C45 63.5(2) . . ?
N5 Rh1 C47 113.67(19) . . ?
C44 Rh1 C47 64.9(2) . . ?
C46 Rh1 C47 40.2(2) . . ?
C43 Rh1 C47 37.7(2) . . ?
C45 Rh1 C47 65.3(2) . . ?
N5 Rh1 N1 89.72(16) . . ?
C44 Rh1 N1 164.0(2) . . ?
C46 Rh1 N1 98.9(2) . . ?
C43 Rh1 N1 134.05(19) . . ?
C45 Rh1 N1 129.7(2) . . ?
C47 Rh1 N1 101.62(19) . . ?
N5 Rh1 N2 94.01(15) . . ?
C44 Rh1 N2 108.22(19) . . ?
C46 Rh1 N2 112.0(2) . . ?
C43 Rh1 N2 146.03(19) . . ?
C45 Rh1 N2 92.39(18) . . ?
C47 Rh1 N2 152.24(19) . . ?
N1 Rh1 N2 79.54(15) . . ?
N8 Rh2 C53 103.5(2) 3_666 . ?
N8 Rh2 C55 157.8(2) 3_666 . ?
C53 Rh2 C55 65.6(3) . . ?
N8 Rh2 C54 140.0(3) 3_666 . ?
C53 Rh2 C54 39.1(3) . . ?
C55 Rh2 C54 39.3(3) . . ?
N8 Rh2 C57 95.6(2) 3_666 . ?
C53 Rh2 C57 37.8(3) . . ?
C55 Rh2 C57 63.6(3) . . ?
C54 Rh2 C57 63.5(3) . . ?
N8 Rh2 C56 119.0(2) 3_666 . ?
C53 Rh2 C56 63.7(3) . . ?
C55 Rh2 C56 39.2(3) . . ?
C54 Rh2 C56 64.7(3) . . ?
C57 Rh2 C56 36.6(3) . . ?
N8 Rh2 N4 88.33(15) 3_666 . ?
C53 Rh2 N4 111.3(2) . . ?
C55 Rh2 N4 113.5(2) . . ?
C54 Rh2 N4 94.2(2) . . ?
C57 Rh2 N4 148.9(2) . . ?
C56 Rh2 N4 152.6(2) . . ?
N8 Rh2 N3 88.48(17) 3_666 . ?
C53 Rh2 N3 163.6(2) . . ?
C55 Rh2 N3 99.2(2) . . ?
C54 Rh2 N3 131.3(3) . . ?
C57 Rh2 N3 131.1(2) . . ?
C56 Rh2 N3 100.8(2) . . ?
N4 Rh2 N3 79.69(15) . . ?
C106 Rh3 N13 162.9(2) . . ?
C106 Rh3 C108 65.7(2) . . ?
N13 Rh3 C108 104.4(2) . . ?
C106 Rh3 C107 38.7(2) . . ?
N13 Rh3 C107 139.4(2) . . ?
C108 Rh3 C107 39.0(2) . . ?
C106 Rh3 C109 65.1(2) . . ?
N13 Rh3 C109 98.27(19) . . ?
C108 Rh3 C109 39.2(2) . . ?
C107 Rh3 C109 64.8(2) . . ?
C106 Rh3 N10 108.1(2) . . ?
N13 Rh3 N10 88.41(17) . . ?
C108 Rh3 N10 112.4(2) . . ?
C107 Rh3 N10 92.3(2) . . ?
C109 Rh3 N10 151.6(2) . . ?
C106 Rh3 C105 38.7(2) . . ?
N13 Rh3 C105 125.3(2) . . ?
C108 Rh3 C105 65.4(2) . . ?
C107 Rh3 C105 64.5(2) . . ?
C109 Rh3 C105 38.7(2) . . ?
N10 Rh3 C105 146.2(2) . . ?
C106 Rh3 N9 99.8(2) . . ?
N13 Rh3 N9 87.16(17) . . ?
C108 Rh3 N9 163.0(2) . . ?
C107 Rh3 N9 132.87(19) . . ?
C109 Rh3 N9 127.8(2) . . ?
N10 Rh3 N9 79.85(17) . . ?
C105 Rh3 N9 97.8(2) . . ?
C1 N1 C14 102.2(4) . . ?
C1 N1 Rh1 107.4(3) . . ?
C14 N1 Rh1 149.9(3) . . ?
C2 N2 C3 102.7(4) . . ?
C2 N2 Rh1 107.9(3) . . ?
C3 N2 Rh1 147.6(4) . . ?
C2 N3 C8 102.5(4) . . ?
C2 N3 Rh2 109.1(3) . . ?
C8 N3 Rh2 148.4(3) . . ?
C1 N4 C9 102.9(4) . . ?
C1 N4 Rh2 108.7(3) . . ?
C9 N4 Rh2 148.2(4) . . ?
C15 N5 C19 118.1(4) . . ?
C15 N5 Rh1 121.3(3) . . ?
C19 N5 Rh1 117.6(4) . . ?
C21 N6 C28 112.4(5) . . ?
C21 N6 C20 123.9(6) . . ?
C28 N6 C20 123.5(6) . . ?
C29 N7 C36 112.1(5) . . ?
C29 N7 C37 125.2(6) . . ?
C36 N7 C37 122.7(6) . . ?
C38 N8 C42 116.7(5) . . ?
C38 N8 Rh2 123.7(4) . 3_666 ?
C42 N8 Rh2 119.6(4) . 3_666 ?
C63 N9 C76 103.6(4) . . ?
C63 N9 Rh3 107.4(4) . . ?
C76 N9 Rh3 149.0(3) . . ?
C64 N10 C65 104.1(5) . . ?
C64 N10 Rh3 108.1(4) . . ?
C65 N10 Rh3 147.7(4) . . ?
C64 N11 C70 104.1(5) . . ?
C64 N11 Rh4 109.4(5) . . ?
C70 N11 Rh4 146.4(5) . . ?
C64 N11 Rh4' 106.3(4) . . ?
C70 N11 Rh4' 149.3(4) . . ?
C63 N12 C71 104.0(4) . . ?
C63 N12 Rh4' 109.2(4) . . ?
C71 N12 Rh4' 146.7(4) . . ?
C63 N12 Rh4 105.6(4) . . ?
C71 N12 Rh4 150.4(4) . . ?
C81 N13 C77 118.5(5) . . ?
C81 N13 Rh3 121.9(4) . . ?
C77 N13 Rh3 119.5(4) . . ?
C83 N14 C90 112.0(5) . . ?
C83 N14 C82 123.7(5) . . ?
C90 N14 C82 124.4(5) . . ?
C91 N15 C98 113.0(5) . . ?
C91 N15 C99 125.0(6) . . ?
C98 N15 C99 121.7(6) . . ?
C100 N16 C104 114.1(7) . . ?
C100 N16 Rh4 124.0(6) . 3_666 ?
C104 N16 Rh4 121.6(6) . 3_666 ?
C100 N16 Rh4' 119.5(5) . 3_666 ?
C104 N16 Rh4' 125.8(6) . 3_666 ?
Rh4 N16 Rh4' 4.9(4) 3_666 3_666 ?
N11 Rh4 N16 93.5(4) . 3_666 ?
N11 Rh4 C116 125.5(5) . . ?
N16 Rh4 C116 108.3(4) 3_666 . ?
N11 Rh4 C115 153.4(4) . . ?
N16 Rh4 C115 111.4(4) 3_666 . ?
C116 Rh4 C115 38.9(2) . . ?
N11 Rh4 C117 92.3(4) . . ?
N16 Rh4 C117 135.4(5) 3_666 . ?
C116 Rh4 C117 38.2(2) . . ?
C115 Rh4 C117 63.7(4) . . ?
N11 Rh4 C119 122.2(4) . . ?
N16 Rh4 C119 141.9(4) 3_666 . ?
C116 Rh4 C119 63.5(4) . . ?
C115 Rh4 C119 37.7(2) . . ?
C117 Rh4 C119 62.1(3) . . ?
N11 Rh4 N12 80.6(3) . . ?
N16 Rh4 N12 84.0(3) 3_666 . ?
C116 Rh4 N12 148.9(6) . . ?
C115 Rh4 N12 110.2(5) . . ?
C117 Rh4 N12 140.5(4) . . ?
C119 Rh4 N12 89.0(4) . . ?
N11 Rh4 C118 91.6(3) . . ?
N16 Rh4 C118 171.0(4) 3_666 . ?
C116 Rh4 C118 62.8(3) . . ?
C115 Rh4 C118 62.5(3) . . ?
C117 Rh4 C118 36.8(2) . . ?
C119 Rh4 C118 36.6(2) . . ?
N12 Rh4 C118 104.1(4) . . ?
C116 C115 C119 108.0 . . ?
C116 C115 C120 126.0 . . ?
C119 C115 C120 126.0 . . ?
C116 C115 Rh4 69.9(4) . . ?
C119 C115 Rh4 74.8(3) . . ?
C120 C115 Rh4 121.0(3) . . ?
C115 C116 C117 108.0 . . ?
C115 C116 C121 126.0 . . ?
C117 C116 C121 126.0 . . ?
C115 C116 Rh4 71.3(4) . . ?
C117 C116 Rh4 74.2(3) . . ?
C121 C116 Rh4 120.3(4) . . ?
C118 C117 C116 108.0 . . ?
C118 C117 C122 126.0 . . ?
C116 C117 C122 126.0 . . ?
C118 C117 Rh4 74.2(4) . . ?
C116 C117 Rh4 67.6(3) . . ?
C122 C117 Rh4 123.7(4) . . ?
C117 C118 C119 108.0 . . ?
C117 C118 C123 126.0 . . ?
C119 C118 C123 126.0 . . ?
C117 C118 Rh4 68.9(4) . . ?
C119 C118 Rh4 70.2(3) . . ?
C123 C118 Rh4 126.5(3) . . ?
C118 C119 C115 108.0 . . ?
C118 C119 C124 126.0 . . ?
C115 C119 C124 126.0 . . ?
C118 C119 Rh4 73.2(3) . . ?
C115 C119 Rh4 67.4(3) . . ?
C124 C119 Rh4 124.9(4) . . ?
C115 C120 H12A 109.5 . . ?
C115 C120 H12B 109.5 . . ?
H12A C120 H12B 109.5 . . ?
C115 C120 H12C 109.5 . . ?
H12A C120 H12C 109.5 . . ?
H12B C120 H12C 109.5 . . ?
C116 C121 H12D 109.5 . . ?
C116 C121 H12E 109.5 . . ?
H12D C121 H12E 109.5 . . ?
C116 C121 H12F 109.5 . . ?
H12D C121 H12F 109.5 . . ?
H12E C121 H12F 109.5 . . ?
C117 C122 H12G 109.5 . . ?
C117 C122 H12H 109.5 . . ?
H12G C122 H12H 109.5 . . ?
C117 C122 H12I 109.5 . . ?
H12G C122 H12I 109.5 . . ?
H12H C122 H12I 109.5 . . ?
C118 C123 H12J 109.5 . . ?
C118 C123 H12K 109.5 . . ?
H12J C123 H12K 109.5 . . ?
C118 C123 H12L 109.5 . . ?
H12J C123 H12L 109.5 . . ?
H12K C123 H12L 109.5 . . ?
C119 C124 H12M 109.5 . . ?
C119 C124 H12N 109.5 . . ?
H12M C124 H12N 109.5 . . ?
C119 C124 H12O 109.5 . . ?
H12M C124 H12O 109.5 . . ?
H12N C124 H12O 109.5 . . ?
C218 Rh4' C217 39.11(14) . . ?
C218 Rh4' C219 38.92(14) . . ?
C217 Rh4' C219 64.9(2) . . ?
N16 Rh4' C219 124.0(3) 3_666 . ?
C218 Rh4' N12 103.9(3) . . ?
C217 Rh4' N12 136.9(3) . . ?
N16 Rh4' N12 84.5(2) 3_666 . ?
C219 Rh4' N12 101.0(3) . . ?
C218 Rh4' C216 64.6(2) . . ?
C217 Rh4' C216 38.37(13) . . ?
N16 Rh4' C216 103.9(3) 3_666 . ?
C219 Rh4' C216 64.0(2) . . ?
N12 Rh4' C216 165.0(4) . . ?
C218 Rh4' C215 64.4(2) . . ?
C217 Rh4' C215 64.1(2) . . ?
N16 Rh4' C215 97.6(2) 3_666 . ?
C219 Rh4' C215 38.09(12) . . ?
N12 Rh4' C215 129.7(3) . . ?
C216 Rh4' C215 37.79(11) . . ?
C218 Rh4' N11 109.4(3) . . ?
C217 Rh4' N11 92.8(3) . . ?
N16 Rh4' N11 88.0(3) 3_666 . ?
C219 Rh4' N11 148.0(3) . . ?
N12 Rh4' N11 79.2(2) . . ?
C216 Rh4' N11 113.1(3) . . ?
C215 Rh4' N11 150.9(3) . . ?
C219 C215 C216 108.0 . . ?
C219 C215 C220 126.0 . . ?
C216 C215 C220 126.0 . . ?
C219 C215 Rh4' 69.2(2) . . ?
C216 C215 Rh4' 70.7(2) . . ?
C220 C215 Rh4' 125.7(2) . . ?
C215 C216 C217 108.0 . . ?
C215 C216 C221 126.0 . . ?
C217 C216 C221 126.0 . . ?
C215 C216 Rh4' 71.5(2) . . ?
C217 C216 Rh4' 68.7(2) . . ?
C221 C216 Rh4' 125.3(2) . . ?
C218 C217 C216 108.0 . . ?
C218 C217 C222 126.0 . . ?
C216 C217 C222 126.0 . . ?
C218 C217 Rh4' 69.6(2) . . ?
C216 C217 Rh4' 72.88(19) . . ?
C222 C217 Rh4' 123.2(2) . . ?
C217 C218 C219 108.0 . . ?
C217 C218 C223 126.0 . . ?
C219 C218 C223 126.0 . . ?
C217 C218 Rh4' 71.3(2) . . ?
C219 C218 Rh4' 72.1(2) . . ?
C223 C218 Rh4' 122.28(19) . . ?
C215 C219 C218 108.0 . . ?
C215 C219 C224 126.0 . . ?
C218 C219 C224 126.0 . . ?
C215 C219 Rh4' 72.74(19) . . ?
C218 C219 Rh4' 69.0(2) . . ?
C224 C219 Rh4' 123.9(2) . . ?
C215 C220 H22A 109.5 . . ?
C215 C220 H22B 109.5 . . ?
H22A C220 H22B 109.5 . . ?
C215 C220 H22C 109.5 . . ?
H22A C220 H22C 109.5 . . ?
H22B C220 H22C 109.5 . . ?
C216 C221 H22D 109.5 . . ?
C216 C221 H22E 109.5 . . ?
H22D C221 H22E 109.5 . . ?
C216 C221 H22F 109.5 . . ?
H22D C221 H22F 109.5 . . ?
H22E C221 H22F 109.5 . . ?
C217 C222 H22G 109.5 . . ?
C217 C222 H22H 109.5 . . ?
H22G C222 H22H 109.5 . . ?
C217 C222 H22I 109.5 . . ?
H22G C222 H22I 109.5 . . ?
H22H C222 H22I 109.5 . . ?
C218 C223 H22J 109.5 . . ?
C218 C223 H22K 109.5 . . ?
H22J C223 H22K 109.5 . . ?
C218 C223 H22L 109.5 . . ?
H22J C223 H22L 109.5 . . ?
H22K C223 H22L 109.5 . . ?
C219 C224 H22M 109.5 . . ?
C219 C224 H22N 109.5 . . ?
H22M C224 H22N 109.5 . . ?
C219 C224 H22O 109.5 . . ?
H22M C224 H22O 109.5 . . ?
H22N C224 H22O 109.5 . . ?
F2 C125 F1 118(2) . . ?
F2 C125 F3 91(2) . . ?
F1 C125 F3 103(3) . . ?
F2 C125 S1 115.3(18) . . ?
F1 C125 S1 111.7(18) . . ?
F3 C125 S1 115.3(19) . . ?
F2' C225 F3' 115.9(19) . . ?
F2' C225 F1' 92(2) . . ?
F3' C225 F1' 104(2) . . ?
F2' C225 S1 111.7(16) . . ?
F3' C225 S1 114.3(15) . . ?
F1' C225 S1 116.8(16) . . ?
O15 S3 O17 114.3(8) . . ?
O15 S3 O16 113.7(8) . . ?
O17 S3 O16 117.2(9) . . ?
O15 S3 C127 107.5(6) . . ?
O17 S3 C127 100.6(5) . . ?
O16 S3 C127 101.1(7) . . ?
O16' S3' O15' 122(2) . . ?
O16' S3' O17' 118(2) . . ?
O15' S3' O17' 106(2) . . ?
O16' S3' C127 103.5(16) . . ?
O15' S3' C127 98.9(17) . . ?
O17' S3' C127 105.3(11) . . ?
O11 S1 O10 109.0(7) . . ?
O11 S1 O9 121.3(7) . . ?
O10 S1 O9 114.1(6) . . ?
O11 S1 C225 101.4(7) . . ?
O10 S1 C225 111.1(9) . . ?
O9 S1 C225 98.3(8) . . ?
O11 S1 C125 105.5(7) . . ?
O10 S1 C125 94.3(9) . . ?
O9 S1 C125 108.9(9) . . ?
O14 S2 O12 117.7(5) . . ?
O14 S2 O13 116.8(5) . . ?
O12 S2 O13 112.5(4) . . ?
O14 S2 C126 101.7(4) . . ?
O12 S2 C126 102.4(6) . . ?
O13 S2 C126 102.5(5) . . ?
N4 C1 N1 118.2(4) . . ?
N4 C1 C2 120.9(4) . . ?
N1 C1 C2 120.6(5) . . ?
N2 C2 N3 118.6(5) . . ?
N2 C2 C1 120.9(4) . . ?
N3 C2 C1 120.4(5) . . ?
C4 C3 N2 130.8(5) . . ?
C4 C3 C8 121.1(5) . . ?
N2 C3 C8 108.0(4) . . ?
C5 C4 C3 116.8(5) . . ?
C5 C4 H4 121.6 . . ?
C3 C4 H4 121.6 . . ?
C4 C5 C6 122.1(6) . . ?
C4 C5 H5 118.9 . . ?
C6 C5 H5 118.9 . . ?
C7 C6 C5 121.2(5) . . ?
C7 C6 H6 119.4 . . ?
C5 C6 H6 119.4 . . ?
C6 C7 C8 117.8(5) . . ?
C6 C7 H7 121.1 . . ?
C8 C7 H7 121.1 . . ?
N3 C8 C7 130.9(5) . . ?
N3 C8 C3 108.1(4) . . ?
C7 C8 C3 121.0(5) . . ?
N4 C9 C10 131.1(5) . . ?
N4 C9 C14 108.1(4) . . ?
C10 C9 C14 120.8(5) . . ?
C11 C10 C9 117.5(5) . . ?
C11 C10 H10 121.3 . . ?
C9 C10 H10 121.3 . . ?
C10 C11 C12 121.7(5) . . ?
C10 C11 H11 119.2 . . ?
C12 C11 H11 119.2 . . ?
C13 C12 C11 122.6(5) . . ?
C13 C12 H12 118.7 . . ?
C11 C12 H12 118.7 . . ?
C12 C13 C14 117.3(5) . . ?
C12 C13 H13 121.4 . . ?
C14 C13 H13 121.4 . . ?
N1 C14 C13 131.1(5) . . ?
N1 C14 C9 108.6(4) . . ?
C13 C14 C9 120.2(5) . . ?
N5 C15 C16 122.3(5) . . ?
N5 C15 H15 118.9 . . ?
C16 C15 H15 118.9 . . ?
C15 C16 C17 119.6(6) . . ?
C15 C16 H16 120.2 . . ?
C17 C16 H16 120.2 . . ?
C18 C17 C16 117.7(5) . . ?
C18 C17 C20 123.3(5) . . ?
C16 C17 C20 118.9(6) . . ?
C17 C18 C19 120.2(5) . . ?
C17 C18 H18 119.9 . . ?
C19 C18 H18 119.9 . . ?
N5 C19 C18 121.9(5) . . ?
N5 C19 H19 119.0 . . ?
C18 C19 H19 119.0 . . ?
N6 C20 C17 113.2(5) . . ?
N6 C20 H20A 108.9 . . ?
C17 C20 H20A 108.9 . . ?
N6 C20 H20B 108.9 . . ?
C17 C20 H20B 108.9 . . ?
H20A C20 H20B 107.8 . . ?
O1 C21 N6 124.8(6) . . ?
O1 C21 C22 129.4(6) . . ?
N6 C21 C22 105.8(6) . . ?
C23 C22 C27 122.5(6) . . ?
C23 C22 C21 130.0(6) . . ?
C27 C22 C21 107.5(6) . . ?
C22 C23 C24 118.0(6) . . ?
C22 C23 H23 121.0 . . ?
C24 C23 H23 121.0 . . ?
C25 C24 C23 119.2(6) . . ?
C25 C24 C32 120.7(6) . . ?
C23 C24 C32 120.1(6) . . ?
C26 C25 C24 122.5(7) . . ?
C26 C25 H25 118.8 . . ?
C24 C25 H25 118.8 . . ?
C25 C26 C27 118.4(7) . . ?
C25 C26 H26 120.8 . . ?
C27 C26 H26 120.8 . . ?
C26 C27 C22 119.5(7) . . ?
C26 C27 C28 131.7(7) . . ?
C22 C27 C28 108.8(6) . . ?
O2 C28 N6 123.6(7) . . ?
O2 C28 C27 130.9(8) . . ?
N6 C28 C27 105.5(6) . . ?
O3 C29 N7 125.0(6) . . ?
O3 C29 C30 128.7(7) . . ?
N7 C29 C30 106.3(6) . . ?
C35 C30 C31 122.4(6) . . ?
C35 C30 C29 107.4(6) . . ?
C31 C30 C29 130.2(7) . . ?
C30 C31 C32 117.7(7) . . ?
C30 C31 H31 121.2 . . ?
C32 C31 H31 121.2 . . ?
C31 C32 C33 119.5(6) . . ?
C31 C32 C24 120.7(7) . . ?
C33 C32 C24 119.8(6) . . ?
C34 C33 C32 122.4(6) . . ?
C34 C33 H33 118.8 . . ?
C32 C33 H33 118.8 . . ?
C33 C34 C35 116.7(7) . . ?
C33 C34 H34 121.7 . . ?
C35 C34 H34 121.7 . . ?
C30 C35 C34 121.4(6) . . ?
C30 C35 C36 108.9(6) . . ?
C34 C35 C36 129.6(7) . . ?
O4 C36 N7 123.9(6) . . ?
O4 C36 C35 130.8(7) . . ?
N7 C36 C35 105.2(6) . . ?
N7 C37 C40 111.0(5) . . ?
N7 C37 H37A 109.4 . . ?
C40 C37 H37A 109.4 . . ?
N7 C37 H37B 109.4 . . ?
C40 C37 H37B 109.4 . . ?
H37A C37 H37B 108.0 . . ?
N8 C38 C39 123.1(5) . . ?
N8 C38 H38 118.5 . . ?
C39 C38 H38 118.5 . . ?
C38 C39 C40 119.3(6) . . ?
C38 C39 H39 120.4 . . ?
C40 C39 H39 120.4 . . ?
C41 C40 C39 117.7(5) . . ?
C41 C40 C37 121.9(5) . . ?
C39 C40 C37 120.3(6) . . ?
C40 C41 C42 119.9(6) . . ?
C40 C41 H41 120.0 . . ?
C42 C41 H41 120.0 . . ?
N8 C42 C41 123.3(6) . . ?
N8 C42 H42 118.3 . . ?
C41 C42 H42 118.3 . . ?
C47 C43 C44 110.9(5) . . ?
C47 C43 C48 123.7(6) . . ?
C44 C43 C48 125.4(6) . . ?
C47 C43 Rh1 71.4(3) . . ?
C44 C43 Rh1 70.2(3) . . ?
C48 C43 Rh1 125.8(4) . . ?
C43 C44 C45 107.6(6) . . ?
C43 C44 C49 125.4(6) . . ?
C45 C44 C49 126.8(6) . . ?
C43 C44 Rh1 71.6(3) . . ?
C45 C44 Rh1 71.7(3) . . ?
C49 C44 Rh1 125.8(4) . . ?
C44 C45 C46 108.9(5) . . ?
C44 C45 C50 124.5(7) . . ?
C46 C45 C50 126.6(8) . . ?
C44 C45 Rh1 70.0(3) . . ?
C46 C45 Rh1 69.9(3) . . ?
C50 C45 Rh1 126.6(4) . . ?
C45 C46 C51 127.4(8) . . ?
C45 C46 C47 106.4(5) . . ?
C51 C46 C47 126.1(8) . . ?
C45 C46 Rh1 71.2(3) . . ?
C51 C46 Rh1 126.1(5) . . ?
C47 C46 Rh1 70.6(3) . . ?
C43 C47 C52 128.2(7) . . ?
C43 C47 C46 106.1(5) . . ?
C52 C47 C46 125.5(7) . . ?
C43 C47 Rh1 70.9(3) . . ?
C52 C47 Rh1 127.8(4) . . ?
C46 C47 Rh1 69.2(3) . . ?
C43 C48 H48A 109.5 . . ?
C43 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C43 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C44 C49 H49A 109.5 . . ?
C44 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C44 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C45 C50 H50A 109.5 . . ?
C45 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C45 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C46 C51 H51A 109.5 . . ?
C46 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C46 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C47 C52 H52A 109.5 . . ?
C47 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C47 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C57 C53 C54 107.0(6) . . ?
C57 C53 C58 124.1(9) . . ?
C54 C53 C58 128.5(8) . . ?
C57 C53 Rh2 72.1(4) . . ?
C54 C53 Rh2 71.2(4) . . ?
C58 C53 Rh2 127.4(5) . . ?
C53 C54 C55 107.0(6) . . ?
C53 C54 C59 126.5(9) . . ?
C55 C54 C59 126.5(9) . . ?
C53 C54 Rh2 69.8(4) . . ?
C55 C54 Rh2 69.7(3) . . ?
C59 C54 Rh2 125.5(5) . . ?
C56 C55 C54 106.3(6) . . ?
C56 C55 C60 125.4(8) . . ?
C54 C55 C60 128.2(8) . . ?
C56 C55 Rh2 71.5(3) . . ?
C54 C55 Rh2 71.0(3) . . ?
C60 C55 Rh2 123.9(5) . . ?
C57 C56 C55 108.1(6) . . ?
C57 C56 C61 128.3(8) . . ?
C55 C56 C61 123.5(8) . . ?
C57 C56 Rh2 71.6(3) . . ?
C55 C56 Rh2 69.3(3) . . ?
C61 C56 Rh2 127.3(5) . . ?
C56 C57 C53 111.4(7) . . ?
C56 C57 C62 124.2(8) . . ?
C53 C57 C62 124.4(8) . . ?
C56 C57 Rh2 71.9(4) . . ?
C53 C57 Rh2 70.1(4) . . ?
C62 C57 Rh2 125.5(5) . . ?
C53 C58 H58A 109.5 . . ?
C53 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C53 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C54 C59 H59A 109.5 . . ?
C54 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C54 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C55 C60 H60A 109.5 . . ?
C55 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C55 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C56 C61 H61A 109.5 . . ?
C56 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C56 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C57 C62 H62A 109.5 . . ?
C57 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C57 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
N12 C63 N9 117.3(5) . . ?
N12 C63 C64 121.2(5) . . ?
N9 C63 C64 121.0(5) . . ?
N10 C64 N11 116.4(6) . . ?
N10 C64 C63 121.7(5) . . ?
N11 C64 C63 121.5(5) . . ?
C66 C65 N10 131.1(6) . . ?
C66 C65 C70 121.0(6) . . ?
N10 C65 C70 107.9(6) . . ?
C65 C66 C67 116.9(7) . . ?
C65 C66 H66 121.6 . . ?
C67 C66 H66 121.6 . . ?
C68 C67 C66 122.5(8) . . ?
C68 C67 H67 118.7 . . ?
C66 C67 H67 118.7 . . ?
C67 C68 C69 121.0(7) . . ?
C67 C68 H68 119.5 . . ?
C69 C68 H68 119.5 . . ?
C68 C69 C70 118.3(8) . . ?
C68 C69 H69 120.8 . . ?
C70 C69 H69 120.8 . . ?
N11 C70 C69 132.2(7) . . ?
N11 C70 C65 107.5(5) . . ?
C69 C70 C65 120.3(8) . . ?
N12 C71 C72 132.1(5) . . ?
N12 C71 C76 107.8(5) . . ?
C72 C71 C76 120.0(5) . . ?
C73 C72 C71 117.8(5) . . ?
C73 C72 H72 121.1 . . ?
C71 C72 H72 121.1 . . ?
C72 C73 C74 121.5(6) . . ?
C72 C73 H73 119.3 . . ?
C74 C73 H73 119.3 . . ?
C75 C74 C73 121.8(6) . . ?
C75 C74 H74 119.1 . . ?
C73 C74 H74 119.1 . . ?
C74 C75 C76 117.9(5) . . ?
C74 C75 H75 121.0 . . ?
C76 C75 H75 121.0 . . ?
N9 C76 C75 131.7(5) . . ?
N9 C76 C71 107.4(5) . . ?
C75 C76 C71 120.9(5) . . ?
N13 C77 C78 122.7(5) . . ?
N13 C77 H77 118.6 . . ?
C78 C77 H77 118.6 . . ?
C79 C78 C77 119.0(6) . . ?
C79 C78 H78 120.5 . . ?
C77 C78 H78 120.5 . . ?
C78 C79 C80 117.6(5) . . ?
C78 C79 C82 121.9(5) . . ?
C80 C79 C82 120.6(5) . . ?
C81 C80 C79 119.9(6) . . ?
C81 C80 H80 120.1 . . ?
C79 C80 H80 120.1 . . ?
N13 C81 C80 122.2(6) . . ?
N13 C81 H81 118.9 . . ?
C80 C81 H81 118.9 . . ?
N14 C82 C79 112.7(5) . . ?
N14 C82 H82A 109.1 . . ?
C79 C82 H82A 109.1 . . ?
N14 C82 H82B 109.1 . . ?
C79 C82 H82B 109.1 . . ?
H82A C82 H82B 107.8 . . ?
O5 C83 N14 124.5(6) . . ?
O5 C83 C84 128.9(5) . . ?
N14 C83 C84 106.6(5) . . ?
C85 C84 C89 120.8(5) . . ?
C85 C84 C83 131.4(5) . . ?
C89 C84 C83 107.7(5) . . ?
C84 C85 C86 119.6(5) . . ?
C84 C85 H85 120.2 . . ?
C86 C85 H85 120.2 . . ?
C85 C86 C87 118.5(5) . . ?
C85 C86 C94 121.1(5) . . ?
C87 C86 C94 120.4(5) . . ?
C88 C87 C86 121.8(5) . . ?
C88 C87 H87 119.1 . . ?
C86 C87 H87 119.1 . . ?
C89 C88 C87 118.0(5) . . ?
C89 C88 H88 121.0 . . ?
C87 C88 H88 121.0 . . ?
C88 C89 C84 121.2(5) . . ?
C88 C89 C90 130.3(5) . . ?
C84 C89 C90 108.5(5) . . ?
O6 C90 N14 124.8(6) . . ?
O6 C90 C89 130.0(6) . . ?
N14 C90 C89 105.2(5) . . ?
O7 C91 N15 125.2(6) . . ?
O7 C91 C92 128.8(7) . . ?
N15 C91 C92 106.0(6) . . ?
C93 C92 C97 121.6(5) . . ?
C93 C92 C91 130.9(6) . . ?
C97 C92 C91 107.4(6) . . ?
C92 C93 C94 118.2(6) . . ?
C92 C93 H93 120.9 . . ?
C94 C93 H93 120.9 . . ?
C95 C94 C93 118.8(5) . . ?
C95 C94 C86 120.3(5) . . ?
C93 C94 C86 120.9(5) . . ?
C94 C95 C96 123.3(6) . . ?
C94 C95 H95 118.3 . . ?
C96 C95 H95 118.3 . . ?
C95 C96 C97 116.9(6) . . ?
C95 C96 H96 121.5 . . ?
C97 C96 H96 121.5 . . ?
C92 C97 C96 121.0(6) . . ?
C92 C97 C98 109.1(6) . . ?
C96 C97 C98 130.0(7) . . ?
O8 C98 N15 125.0(7) . . ?
O8 C98 C97 130.6(7) . . ?
N15 C98 C97 104.4(7) . . ?
N15 C99 C102 112.7(5) . . ?
N15 C99 H99A 109.1 . . ?
C102 C99 H99A 109.1 . . ?
N15 C99 H99B 109.1 . . ?
C102 C99 H99B 109.1 . . ?
H99A C99 H99B 107.8 . . ?
N16 C100 C101 124.2(8) . . ?
N16 C100 H100 117.9 . . ?
C101 C100 H100 117.9 . . ?
C102 C101 C100 122.4(9) . . ?
C102 C101 H101 118.8 . . ?
C100 C101 H101 118.8 . . ?
C103 C102 C101 112.4(7) . . ?
C103 C102 C99 122.4(7) . . ?
C101 C102 C99 125.1(7) . . ?
C102 C103 C104 125.3(10) . . ?
C102 C103 H103 117.4 . . ?
C104 C103 H103 117.4 . . ?
N16 C104 C103 121.4(9) . . ?
N16 C104 H104 119.3 . . ?
C103 C104 H104 119.3 . . ?
C106 C105 C109 107.9(6) . . ?
C106 C105 C110 124.8(7) . . ?
C109 C105 C110 127.2(7) . . ?
C106 C105 Rh3 69.4(3) . . ?
C109 C105 Rh3 70.3(3) . . ?
C110 C105 Rh3 128.6(4) . . ?
C107 C106 C105 108.2(5) . . ?
C107 C106 C111 125.5(6) . . ?
C105 C106 C111 126.1(6) . . ?
C107 C106 Rh3 71.2(3) . . ?
C105 C106 Rh3 71.9(3) . . ?
C111 C106 Rh3 126.4(4) . . ?
C106 C107 C108 108.8(6) . . ?
C106 C107 C112 125.5(6) . . ?
C108 C107 C112 125.7(6) . . ?
C106 C107 Rh3 70.1(3) . . ?
C108 C107 Rh3 70.1(3) . . ?
C112 C107 Rh3 126.3(4) . . ?
C107 C108 C109 106.9(5) . . ?
C107 C108 C113 128.1(6) . . ?
C109 C108 C113 124.7(6) . . ?
C107 C108 Rh3 70.9(3) . . ?
C109 C108 Rh3 71.1(3) . . ?
C113 C108 Rh3 128.4(4) . . ?
C105 C109 C108 108.1(5) . . ?
C105 C109 C114 125.9(7) . . ?
C108 C109 C114 125.9(6) . . ?
C105 C109 Rh3 71.0(3) . . ?
C108 C109 Rh3 69.7(3) . . ?
C114 C109 Rh3 126.3(4) . . ?
C105 C110 H11A 109.5 . . ?
C105 C110 H11B 109.5 . . ?
H11A C110 H11B 109.5 . . ?
C105 C110 H11C 109.5 . . ?
H11A C110 H11C 109.5 . . ?
H11B C110 H11C 109.5 . . ?
C106 C111 H11D 109.5 . . ?
C106 C111 H11E 109.5 . . ?
H11D C111 H11E 109.5 . . ?
C106 C111 H11F 109.5 . . ?
H11D C111 H11F 109.5 . . ?
H11E C111 H11F 109.5 . . ?
C107 C112 H11G 109.5 . . ?
C107 C112 H11H 109.5 . . ?
H11G C112 H11H 109.5 . . ?
C107 C112 H11I 109.5 . . ?
H11G C112 H11I 109.5 . . ?
H11H C112 H11I 109.5 . . ?
C108 C113 H11J 109.5 . . ?
C108 C113 H11K 109.5 . . ?
H11J C113 H11K 109.5 . . ?
C108 C113 H11L 109.5 . . ?
H11J C113 H11L 109.5 . . ?
H11K C113 H11L 109.5 . . ?
C109 C114 H11M 109.5 . . ?
C109 C114 H11N 109.5 . . ?
H11M C114 H11N 109.5 . . ?
C109 C114 H11O 109.5 . . ?
H11M C114 H11O 109.5 . . ?
H11N C114 H11O 109.5 . . ?
F4 C126 F5 108.6(8) . . ?
F4 C126 F6 108.0(11) . . ?
F5 C126 F6 104.8(9) . . ?
F4 C126 S2 113.7(7) . . ?
F5 C126 S2 113.0(9) . . ?
F6 C126 S2 108.4(7) . . ?
F7 C127 F8 108.9(7) . . ?
F7 C127 F9 104.8(8) . . ?
F8 C127 F9 105.2(9) . . ?
F7 C127 S3 121.4(8) . . ?
F8 C127 S3 110.6(6) . . ?
F9 C127 S3 104.5(7) . . ?
F7 C127 S3' 98.5(9) . . ?
F8 C127 S3' 106.8(7) . . ?
F9 C127 S3' 131.3(9) . . ?
O20 S4 O18 113.9(16) . . ?
O20 S4 C128 110.8(14) . . ?
O18 S4 C128 106.9(9) . . ?
O20 S4 O19 97.3(17) . . ?
O18 S4 O19 131.0(11) . . ?
C128 S4 O19 95.1(10) . . ?
F10 C128 F11 105.0(14) . . ?
F10 C128 F12 105(2) . . ?
F11 C128 F12 127(2) . . ?
F10 C128 S4 108.3(11) . . ?
F11 C128 S4 113.2(13) . . ?
F12 C128 S4 98(2) . . ?
O18' S4' O20' 125.7(17) . . ?
O18' S4' O19' 107.7(16) . . ?
O20' S4' O19' 113.9(13) . . ?
O18' S4' C228 123(2) . . ?
O20' S4' C228 91.0(14) . . ?
O19' S4' C228 89.5(10) . . ?
F12' C228 F10' 113(2) . . ?
F12' C228 F11' 107(2) . . ?
F10' C228 F11' 122(2) . . ?
F12' C228 S4' 104.9(17) . . ?
F10' C228 S4' 97.9(17) . . ?
F11' C228 S4' 111(2) . . ?
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 N5 2.113(4) . ?
Rh1 C44 2.137(6) . ?
Rh1 C46 2.142(6) . ?
Rh1 C43 2.156(5) . ?
Rh1 C45 2.160(5) . ?
Rh1 C47 2.162(5) . ?
Rh1 N1 2.168(4) . ?
Rh1 N2 2.176(4) . ?
Rh2 N8 2.124(4) 3_666 ?
Rh2 C53 2.129(6) . ?
Rh2 C55 2.129(6) . ?
Rh2 C54 2.147(6) . ?
Rh2 C57 2.155(6) . ?
Rh2 C56 2.159(5) . ?
Rh2 N4 2.167(4) . ?
Rh2 N3 2.169(5) . ?
Rh3 C106 2.132(5) . ?
Rh3 N13 2.134(4) . ?
Rh3 C108 2.137(5) . ?
Rh3 C107 2.147(6) . ?
Rh3 C109 2.156(5) . ?
Rh3 N10 2.157(4) . ?
Rh3 C105 2.165(5) . ?
Rh3 N9 2.182(4) . ?
N1 C1 1.342(6) . ?
N1 C14 1.386(7) . ?
N2 C2 1.316(7) . ?
N2 C3 1.399(6) . ?
N3 C2 1.331(6) . ?
N3 C8 1.395(7) . ?
N4 C1 1.331(7) . ?
N4 C9 1.383(6) . ?
N5 C15 1.333(7) . ?
N5 C19 1.351(6) . ?
N6 C21 1.390(8) . ?
N6 C28 1.394(9) . ?
N6 C20 1.463(8) . ?
N7 C29 1.376(9) . ?
N7 C36 1.397(8) . ?
N7 C37 1.465(7) . ?
N8 C38 1.339(7) . ?
N8 C42 1.342(7) . ?
N9 C63 1.331(6) . ?
N9 C76 1.381(7) . ?
N10 C64 1.324(7) . ?
N10 C65 1.395(8) . ?
N11 C64 1.345(7) . ?
N11 C70 1.389(9) . ?
N11 Rh4 2.080(9) . ?
N11 Rh4' 2.222(7) . ?
N12 C63 1.322(7) . ?
N12 C71 1.372(7) . ?
N12 Rh4' 2.157(6) . ?
N12 Rh4 2.234(9) . ?
N13 C81 1.323(7) . ?
N13 C77 1.327(7) . ?
N14 C83 1.383(7) . ?
N14 C90 1.404(7) . ?
N14 C82 1.448(7) . ?
N15 C91 1.374(9) . ?
N15 C98 1.396(9) . ?
N15 C99 1.462(7) . ?
N16 C100 1.280(10) . ?
N16 C104 1.300(11) . ?
N16 Rh4 2.087(9) 3_666 ?
N16 Rh4' 2.147(7) 3_666 ?
Rh4 C116 2.112(12) . ?
Rh4 C115 2.130(12) . ?
Rh4 C117 2.197(12) . ?
Rh4 C119 2.226(12) . ?
Rh4 C118 2.266(11) . ?
C115 C116 1.411(5) . ?
C115 C119 1.411(5) . ?
C115 C120 1.500(5) . ?
C116 C117 1.411(5) . ?
C116 C121 1.500(5) . ?
C117 C118 1.411(5) . ?
C117 C122 1.500(5) . ?
C118 C119 1.411(5) . ?
C118 C123 1.500(5) . ?
C119 C124 1.500(5) . ?
C120 H12A 0.9800 . ?
C120 H12B 0.9800 . ?
C120 H12C 0.9800 . ?
C121 H12D 0.9800 . ?
C121 H12E 0.9800 . ?
C121 H12F 0.9800 . ?
C122 H12G 0.9800 . ?
C122 H12H 0.9800 . ?
C122 H12I 0.9800 . ?
C123 H12J 0.9800 . ?
C123 H12K 0.9800 . ?
C123 H12L 0.9800 . ?
C124 H12M 0.9800 . ?
C124 H12N 0.9800 . ?
C124 H12O 0.9800 . ?
Rh4' C218 2.114(7) . ?
Rh4' C217 2.136(7) . ?
Rh4' C219 2.155(7) . ?
Rh4' C216 2.190(6) . ?
Rh4' C215 2.202(6) . ?
C215 C219 1.422(3) . ?
C215 C216 1.423(3) . ?
C215 C220 1.512(3) . ?
C216 C217 1.423(3) . ?
C216 C221 1.512(3) . ?
C217 C218 1.423(3) . ?
C217 C222 1.512(3) . ?
C218 C219 1.423(3) . ?
C218 C223 1.512(3) . ?
C219 C224 1.512(3) . ?
C220 H22A 0.9800 . ?
C220 H22B 0.9800 . ?
C220 H22C 0.9800 . ?
C221 H22D 0.9800 . ?
C221 H22E 0.9800 . ?
C221 H22F 0.9800 . ?
C222 H22G 0.9800 . ?
C222 H22H 0.9800 . ?
C222 H22I 0.9800 . ?
C223 H22J 0.9800 . ?
C223 H22K 0.9800 . ?
C223 H22L 0.9800 . ?
C224 H22M 0.9800 . ?
C224 H22N 0.9800 . ?
C224 H22O 0.9800 . ?
C125 F2 1.284(17) . ?
C125 F1 1.302(18) . ?
C125 F3 1.319(19) . ?
C125 S1 1.76(3) . ?
C225 F2' 1.290(16) . ?
C225 F3' 1.315(16) . ?
C225 F1' 1.322(18) . ?
C225 S1 1.71(2) . ?
S3 O15 1.405(10) . ?
S3 O17 1.455(9) . ?
S3 O16 1.472(12) . ?
S3 C127 1.742(10) . ?
S3' O16' 1.426(18) . ?
S3' O15' 1.448(18) . ?
S3' O17' 1.451(15) . ?
S3' C127 1.878(14) . ?
O1 C21 1.204(7) . ?
O2 C28 1.204(9) . ?
O3 C29 1.208(8) . ?
O4 C36 1.199(8) . ?
O5 C83 1.213(7) . ?
O6 C90 1.204(6) . ?
O7 C91 1.212(8) . ?
O8 C98 1.190(9) . ?
O9 S1 1.431(9) . ?
O10 S1 1.392(7) . ?
O11 S1 1.365(7) . ?
O12 S2 1.425(7) . ?
O13 S2 1.440(6) . ?
O14 S2 1.408(6) . ?
S2 C126 1.781(11) . ?
F4 C126 1.265(9) . ?
F5 C126 1.321(11) . ?
F6 C126 1.379(13) . ?
F7 C127 1.287(9) . ?
F8 C127 1.337(9) . ?
F9 C127 1.338(11) . ?
C1 C2 1.420(7) . ?
C3 C4 1.394(8) . ?
C3 C8 1.410(7) . ?
C4 C5 1.387(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.402(9) . ?
C5 H5 0.9500 . ?
C6 C7 1.369(9) . ?
C6 H6 0.9500 . ?
C7 C8 1.399(7) . ?
C7 H7 0.9500 . ?
C9 C10 1.395(8) . ?
C9 C14 1.424(7) . ?
C10 C11 1.375(7) . ?
C10 H10 0.9500 . ?
C11 C12 1.379(8) . ?
C11 H11 0.9500 . ?
C12 C13 1.374(8) . ?
C12 H12 0.9500 . ?
C13 C14 1.397(7) . ?
C13 H13 0.9500 . ?
C15 C16 1.374(8) . ?
C15 H15 0.9500 . ?
C16 C17 1.392(7) . ?
C16 H16 0.9500 . ?
C17 C18 1.365(8) . ?
C17 C20 1.513(8) . ?
C18 C19 1.374(7) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.493(9) . ?
C22 C23 1.367(9) . ?
C22 C27 1.386(10) . ?
C23 C24 1.388(9) . ?
C23 H23 0.9500 . ?
C24 C25 1.387(10) . ?
C24 C32 1.486(9) . ?
C25 C26 1.364(11) . ?
C25 H25 0.9500 . ?
C26 C27 1.376(11) . ?
C26 H26 0.9500 . ?
C27 C28 1.481(10) . ?
C29 C30 1.484(9) . ?
C30 C35 1.376(10) . ?
C30 C31 1.377(9) . ?
C31 C32 1.397(9) . ?
C31 H31 0.9500 . ?
C32 C33 1.405(11) . ?
C33 C34 1.387(9) . ?
C33 H33 0.9500 . ?
C34 C35 1.388(9) . ?
C34 H34 0.9500 . ?
C35 C36 1.474(8) . ?
C37 C40 1.526(8) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.374(8) . ?
C38 H38 0.9500 . ?
C39 C40 1.390(8) . ?
C39 H39 0.9500 . ?
C40 C41 1.363(9) . ?
C41 C42 1.369(8) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 C47 1.397(8) . ?
C43 C44 1.404(8) . ?
C43 C48 1.505(8) . ?
C44 C45 1.410(10) . ?
C44 C49 1.503(10) . ?
C45 C46 1.430(10) . ?
C45 C50 1.479(9) . ?
C46 C51 1.473(11) . ?
C46 C47 1.480(9) . ?
C47 C52 1.476(9) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 C57 1.387(10) . ?
C53 C54 1.429(11) . ?
C53 C58 1.488(11) . ?
C54 C55 1.439(10) . ?
C54 C59 1.481(10) . ?
C55 C56 1.437(10) . ?
C55 C60 1.512(11) . ?
C56 C57 1.353(10) . ?
C56 C61 1.494(10) . ?
C57 C62 1.521(11) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 C64 1.403(9) . ?
C65 C66 1.388(10) . ?
C65 C70 1.423(9) . ?
C66 C67 1.399(10) . ?
C66 H66 0.9500 . ?
C67 C68 1.379(12) . ?
C67 H67 0.9500 . ?
C68 C69 1.381(12) . ?
C68 H68 0.9500 . ?
C69 C70 1.395(9) . ?
C69 H69 0.9500 . ?
C71 C72 1.400(8) . ?
C71 C76 1.435(7) . ?
C72 C73 1.381(9) . ?
C72 H72 0.9500 . ?
C73 C74 1.412(8) . ?
C73 H73 0.9500 . ?
C74 C75 1.366(8) . ?
C74 H74 0.9500 . ?
C75 C76 1.396(8) . ?
C75 H75 0.9500 . ?
C77 C78 1.381(8) . ?
C77 H77 0.9500 . ?
C78 C79 1.378(8) . ?
C78 H78 0.9500 . ?
C79 C80 1.382(8) . ?
C79 C82 1.512(7) . ?
C80 C81 1.373(8) . ?
C80 H80 0.9500 . ?
C81 H81 0.9500 . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
C83 C84 1.479(8) . ?
C84 C85 1.369(8) . ?
C84 C89 1.388(7) . ?
C85 C86 1.386(8) . ?
C85 H85 0.9500 . ?
C86 C87 1.409(7) . ?
C86 C94 1.472(8) . ?
C87 C88 1.379(8) . ?
C87 H87 0.9500 . ?
C88 C89 1.366(8) . ?
C88 H88 0.9500 . ?
C89 C90 1.486(8) . ?
C91 C92 1.489(7) . ?
C92 C93 1.372(8) . ?
C92 C97 1.377(9) . ?
C93 C94 1.407(7) . ?
C93 H93 0.9500 . ?
C94 C95 1.374(9) . ?
C95 C96 1.376(9) . ?
C95 H95 0.9500 . ?
C96 C97 1.385(9) . ?
C96 H96 0.9500 . ?
C97 C98 1.490(9) . ?
C99 C102 1.500(9) . ?
C99 H99A 0.9900 . ?
C99 H99B 0.9900 . ?
C100 C101 1.378(11) . ?
C100 H100 0.9500 . ?
C101 C102 1.314(11) . ?
C101 H101 0.9500 . ?
C102 C103 1.287(11) . ?
C103 C104 1.379(13) . ?
C103 H103 0.9500 . ?
C104 H104 0.9500 . ?
C105 C106 1.423(9) . ?
C105 C109 1.432(9) . ?
C105 C110 1.491(10) . ?
C106 C107 1.418(9) . ?
C106 C111 1.481(9) . ?
C107 C108 1.430(8) . ?
C107 C112 1.493(9) . ?
C108 C109 1.440(9) . ?
C108 C113 1.484(9) . ?
C109 C114 1.492(9) . ?
C110 H11A 0.9800 . ?
C110 H11B 0.9800 . ?
C110 H11C 0.9800 . ?
C111 H11D 0.9800 . ?
C111 H11E 0.9800 . ?
C111 H11F 0.9800 . ?
C112 H11G 0.9800 . ?
C112 H11H 0.9800 . ?
C112 H11I 0.9800 . ?
C113 H11J 0.9800 . ?
C113 H11K 0.9800 . ?
C113 H11L 0.9800 . ?
C114 H11M 0.9800 . ?
C114 H11N 0.9800 . ?
C114 H11O 0.9800 . ?
S4 O20 1.41(3) . ?
S4 O18 1.455(12) . ?
S4 C128 1.723(16) . ?
S4 O19 1.78(3) . ?
C128 F10 1.344(16) . ?
C128 F11 1.360(17) . ?
C128 F12 1.363(19) . ?
S4' O18' 1.393(16) . ?
S4' O20' 1.427(15) . ?
S4' O19' 1.545(14) . ?
S4' C228 1.787(18) . ?
C228 F12' 1.315(18) . ?
C228 F10' 1.317(17) . ?
C228 F11' 1.317(18) . ?
O23 O23' 0.77(3) . ?
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
C119 C115 C116 C117 0.0 . . . . ?
C120 C115 C116 C117 180.0 . . . . ?
Rh4 C115 C116 C117 65.7(3) . . . . ?
C119 C115 C116 C121 180.0 . . . . ?
C120 C115 C116 C121 0.0 . . . . ?
Rh4 C115 C116 C121 -114.3(3) . . . . ?
C119 C115 C116 Rh4 -65.7(3) . . . . ?
C120 C115 C116 Rh4 114.3(3) . . . . ?
C115 C116 C117 C118 0.0 . . . . ?
C121 C116 C117 C118 -180.0 . . . . ?
Rh4 C116 C117 C118 63.7(4) . . . . ?
C115 C116 C117 C122 180.0 . . . . ?
C121 C116 C117 C122 0.0 . . . . ?
Rh4 C116 C117 C122 -116.3(4) . . . . ?
C115 C116 C117 Rh4 -63.7(4) . . . . ?
C121 C116 C117 Rh4 116.3(4) . . . . ?
C116 C117 C118 C119 0.0 . . . . ?
C122 C117 C118 C119 180.0 . . . . ?
Rh4 C117 C118 C119 59.5(3) . . . . ?
C116 C117 C118 C123 -180.0 . . . . ?
C122 C117 C118 C123 0.0 . . . . ?
Rh4 C117 C118 C123 -120.5(3) . . . . ?
C116 C117 C118 Rh4 -59.5(3) . . . . ?
C122 C117 C118 Rh4 120.5(3) . . . . ?
C117 C118 C119 C115 0.0 . . . . ?
C123 C118 C119 C115 180.0 . . . . ?
Rh4 C118 C119 C115 58.7(4) . . . . ?
C117 C118 C119 C124 180.0 . . . . ?
C123 C118 C119 C124 0.0 . . . . ?
Rh4 C118 C119 C124 -121.3(4) . . . . ?
C117 C118 C119 Rh4 -58.7(4) . . . . ?
C123 C118 C119 Rh4 121.3(4) . . . . ?
C116 C115 C119 C118 0.0 . . . . ?
C120 C115 C119 C118 180.0 . . . . ?
Rh4 C115 C119 C118 -62.4(4) . . . . ?
C116 C115 C119 C124 180.0 . . . . ?
C120 C115 C119 C124 0.0 . . . . ?
Rh4 C115 C119 C124 117.6(4) . . . . ?
C116 C115 C119 Rh4 62.4(4) . . . . ?
C120 C115 C119 Rh4 -117.6(4) . . . . ?
C219 C215 C216 C217 0.0 . . . . ?
C220 C215 C216 C217 180.0 . . . . ?
Rh4' C215 C216 C217 59.3(2) . . . . ?
C219 C215 C216 C221 180.0 . . . . ?
C220 C215 C216 C221 0.0 . . . . ?
Rh4' C215 C216 C221 -120.7(2) . . . . ?
C219 C215 C216 Rh4' -59.3(2) . . . . ?
C220 C215 C216 Rh4' 120.7(2) . . . . ?
C215 C216 C217 C218 0.0 . . . . ?
C221 C216 C217 C218 180.0 . . . . ?
Rh4' C216 C217 C218 61.1(2) . . . . ?
C215 C216 C217 C222 180.0 . . . . ?
C221 C216 C217 C222 0.0 . . . . ?
Rh4' C216 C217 C222 -118.9(2) . . . . ?
C215 C216 C217 Rh4' -61.1(2) . . . . ?
C221 C216 C217 Rh4' 118.9(2) . . . . ?
C216 C217 C218 C219 0.0 . . . . ?
C222 C217 C218 C219 180.0 . . . . ?
Rh4' C217 C218 C219 63.2(2) . . . . ?
C216 C217 C218 C223 -180.0 . . . . ?
C222 C217 C218 C223 0.0 . . . . ?
Rh4' C217 C218 C223 -116.8(2) . . . . ?
C216 C217 C218 Rh4' -63.2(2) . . . . ?
C222 C217 C218 Rh4' 116.8(2) . . . . ?
C216 C215 C219 C218 0.0 . . . . ?
C220 C215 C219 C218 -180.0 . . . . ?
Rh4' C215 C219 C218 -60.3(2) . . . . ?
C216 C215 C219 C224 180.0 . . . . ?
C220 C215 C219 C224 0.0 . . . . ?
Rh4' C215 C219 C224 119.7(2) . . . . ?
C216 C215 C219 Rh4' 60.2(2) . . . . ?
C220 C215 C219 Rh4' -119.7(2) . . . . ?
C217 C218 C219 C215 0.0 . . . . ?
C223 C218 C219 C215 180.0 . . . . ?
Rh4' C218 C219 C215 62.7(2) . . . . ?
C217 C218 C219 C224 -180.0 . . . . ?
C223 C218 C219 C224 0.0 . . . . ?
Rh4' C218 C219 C224 -117.3(2) . . . . ?
C217 C218 C219 Rh4' -62.7(2) . . . . ?
C223 C218 C219 Rh4' 117.3(2) . . . . ?
F2' C225 S1 O11 -173.3(17) . . . . ?
F3' C225 S1 O11 52.6(19) . . . . ?
F1' C225 S1 O11 -68.7(18) . . . . ?
F2' C225 S1 O10 71.0(17) . . . . ?
F3' C225 S1 O10 -63.1(18) . . . . ?
F1' C225 S1 O10 175.6(15) . . . . ?
F2' C225 S1 O9 -48.9(17) . . . . ?
F3' C225 S1 O9 177.0(16) . . . . ?
F1' C225 S1 O9 55.7(17) . . . . ?
F2 C125 S1 O11 177.8(19) . . . . ?
F1 C125 S1 O11 -45(3) . . . . ?
F3 C125 S1 O11 73(3) . . . . ?
F2 C125 S1 O10 66.7(19) . . . . ?
F1 C125 S1 O10 -156(2) . . . . ?
F3 C125 S1 O10 -38(2) . . . . ?
F2 C125 S1 O9 -51(2) . . . . ?
F1 C125 S1 O9 87(2) . . . . ?
F3 C125 S1 O9 -155(2) . . . . ?
C9 N4 C1 N1 -1.2(6) . . . . ?
Rh2 N4 C1 N1 176.2(4) . . . . ?
C9 N4 C1 C2 172.0(4) . . . . ?
Rh2 N4 C1 C2 -10.6(6) . . . . ?
C14 N1 C1 N4 1.6(6) . . . . ?
Rh1 N1 C1 N4 -172.9(4) . . . . ?
C14 N1 C1 C2 -171.6(4) . . . . ?
Rh1 N1 C1 C2 13.9(5) . . . . ?
C3 N2 C2 N3 -0.8(6) . . . . ?
Rh1 N2 C2 N3 168.8(4) . . . . ?
C3 N2 C2 C1 176.8(4) . . . . ?
Rh1 N2 C2 C1 -13.7(6) . . . . ?
C8 N3 C2 N2 1.1(6) . . . . ?
Rh2 N3 C2 N2 -177.7(4) . . . . ?
C8 N3 C2 C1 -176.4(4) . . . . ?
Rh2 N3 C2 C1 4.8(6) . . . . ?
N4 C1 C2 N2 -173.2(5) . . . . ?
N1 C1 C2 N2 -0.1(7) . . . . ?
N4 C1 C2 N3 4.3(7) . . . . ?
N1 C1 C2 N3 177.3(4) . . . . ?
C2 N2 C3 C4 -177.3(5) . . . . ?
Rh1 N2 C3 C4 21.5(10) . . . . ?
C2 N2 C3 C8 0.1(5) . . . . ?
Rh1 N2 C3 C8 -161.1(5) . . . . ?
N2 C3 C4 C5 178.9(5) . . . . ?
C8 C3 C4 C5 1.8(8) . . . . ?
C3 C4 C5 C6 -1.6(9) . . . . ?
C4 C5 C6 C7 0.1(9) . . . . ?
C5 C6 C7 C8 1.1(9) . . . . ?
C2 N3 C8 C7 177.7(5) . . . . ?
Rh2 N3 C8 C7 -4.4(10) . . . . ?
C2 N3 C8 C3 -0.9(5) . . . . ?
Rh2 N3 C8 C3 176.9(5) . . . . ?
C6 C7 C8 N3 -179.4(5) . . . . ?
C6 C7 C8 C3 -0.9(8) . . . . ?
C4 C3 C8 N3 178.3(5) . . . . ?
N2 C3 C8 N3 0.6(5) . . . . ?
C4 C3 C8 C7 -0.5(8) . . . . ?
N2 C3 C8 C7 -178.2(5) . . . . ?
C1 N4 C9 C10 -176.3(5) . . . . ?
Rh2 N4 C9 C10 8.5(10) . . . . ?
C1 N4 C9 C14 0.3(5) . . . . ?
Rh2 N4 C9 C14 -175.0(5) . . . . ?
N4 C9 C10 C11 175.2(5) . . . . ?
C14 C9 C10 C11 -0.9(8) . . . . ?
C9 C10 C11 C12 -0.2(8) . . . . ?
C10 C11 C12 C13 0.8(9) . . . . ?
C11 C12 C13 C14 -0.3(8) . . . . ?
C1 N1 C14 C13 174.3(5) . . . . ?
Rh1 N1 C14 C13 -16.2(11) . . . . ?
C1 N1 C14 C9 -1.3(5) . . . . ?
Rh1 N1 C14 C9 168.2(5) . . . . ?
C12 C13 C14 N1 -176.0(5) . . . . ?
C12 C13 C14 C9 -0.8(7) . . . . ?
N4 C9 C14 N1 0.7(5) . . . . ?
C10 C9 C14 N1 177.6(5) . . . . ?
N4 C9 C14 C13 -175.5(4) . . . . ?
C10 C9 C14 C13 1.5(7) . . . . ?
C19 N5 C15 C16 -3.2(8) . . . . ?
Rh1 N5 C15 C16 156.9(4) . . . . ?
N5 C15 C16 C17 0.3(8) . . . . ?
C15 C16 C17 C18 2.4(8) . . . . ?
C15 C16 C17 C20 179.8(6) . . . . ?
C16 C17 C18 C19 -2.2(9) . . . . ?
C20 C17 C18 C19 -179.4(6) . . . . ?
C15 N5 C19 C18 3.4(7) . . . . ?
Rh1 N5 C19 C18 -157.4(4) . . . . ?
C17 C18 C19 N5 -0.7(8) . . . . ?
C21 N6 C20 C17 88.7(7) . . . . ?
C28 N6 C20 C17 -97.9(8) . . . . ?
C18 C17 C20 N6 -27.6(9) . . . . ?
C16 C17 C20 N6 155.2(6) . . . . ?
C28 N6 C21 O1 178.8(7) . . . . ?
C20 N6 C21 O1 -7.2(10) . . . . ?
C28 N6 C21 C22 0.5(8) . . . . ?
C20 N6 C21 C22 174.5(6) . . . . ?
O1 C21 C22 C23 2.3(12) . . . . ?
N6 C21 C22 C23 -179.5(7) . . . . ?
O1 C21 C22 C27 -179.2(8) . . . . ?
N6 C21 C22 C27 -1.0(8) . . . . ?
C27 C22 C23 C24 -0.5(12) . . . . ?
C21 C22 C23 C24 177.9(8) . . . . ?
C22 C23 C24 C25 0.4(13) . . . . ?
C22 C23 C24 C32 178.3(7) . . . . ?
C23 C24 C25 C26 -0.3(16) . . . . ?
C32 C24 C25 C26 -178.1(10) . . . . ?
C24 C25 C26 C27 0.1(18) . . . . ?
C25 C26 C27 C22 -0.2(17) . . . . ?
C25 C26 C27 C28 -179.4(11) . . . . ?
C23 C22 C27 C26 0.4(14) . . . . ?
C21 C22 C27 C26 -178.3(9) . . . . ?
C23 C22 C27 C28 179.8(8) . . . . ?
C21 C22 C27 C28 1.1(10) . . . . ?
C21 N6 C28 O2 178.9(9) . . . . ?
C20 N6 C28 O2 4.9(14) . . . . ?
C21 N6 C28 C27 0.2(10) . . . . ?
C20 N6 C28 C27 -173.9(7) . . . . ?
C26 C27 C28 O2 0(2) . . . . ?
C22 C27 C28 O2 -179.4(11) . . . . ?
C26 C27 C28 N6 178.5(12) . . . . ?
C22 C27 C28 N6 -0.8(11) . . . . ?
C36 N7 C29 O3 179.7(7) . . . . ?
C37 N7 C29 O3 0.3(11) . . . . ?
C36 N7 C29 C30 0.4(7) . . . . ?
C37 N7 C29 C30 -179.0(5) . . . . ?
O3 C29 C30 C35 -177.4(7) . . . . ?
N7 C29 C30 C35 1.8(7) . . . . ?
O3 C29 C30 C31 2.7(13) . . . . ?
N7 C29 C30 C31 -178.1(7) . . . . ?
C35 C30 C31 C32 -0.2(10) . . . . ?
C29 C30 C31 C32 179.7(7) . . . . ?
C30 C31 C32 C33 0.7(10) . . . . ?
C30 C31 C32 C24 -176.8(7) . . . . ?
C25 C24 C32 C31 -38.0(12) . . . . ?
C23 C24 C32 C31 144.2(8) . . . . ?
C25 C24 C32 C33 144.6(9) . . . . ?
C23 C24 C32 C33 -33.2(11) . . . . ?
C31 C32 C33 C34 -1.1(11) . . . . ?
C24 C32 C33 C34 176.3(7) . . . . ?
C32 C33 C34 C35 1.1(10) . . . . ?
C31 C30 C35 C34 0.2(10) . . . . ?
C29 C30 C35 C34 -179.7(6) . . . . ?
C31 C30 C35 C36 176.7(6) . . . . ?
C29 C30 C35 C36 -3.3(7) . . . . ?
C33 C34 C35 C30 -0.6(9) . . . . ?
C33 C34 C35 C36 -176.2(6) . . . . ?
C29 N7 C36 O4 178.6(6) . . . . ?
C37 N7 C36 O4 -2.0(9) . . . . ?
C29 N7 C36 C35 -2.3(7) . . . . ?
C37 N7 C36 C35 177.1(5) . . . . ?
C30 C35 C36 O4 -177.5(7) . . . . ?
C34 C35 C36 O4 -1.4(11) . . . . ?
C30 C35 C36 N7 3.5(7) . . . . ?
C34 C35 C36 N7 179.6(6) . . . . ?
C29 N7 C37 C40 -93.1(7) . . . . ?
C36 N7 C37 C40 87.6(7) . . . . ?
C42 N8 C38 C39 -0.1(8) . . . . ?
Rh2 N8 C38 C39 178.0(4) 3_666 . . . ?
N8 C38 C39 C40 -1.3(8) . . . . ?
C38 C39 C40 C41 2.3(8) . . . . ?
C38 C39 C40 C37 179.5(5) . . . . ?
N7 C37 C40 C41 48.9(8) . . . . ?
N7 C37 C40 C39 -128.1(6) . . . . ?
C39 C40 C41 C42 -2.0(9) . . . . ?
C37 C40 C41 C42 -179.1(6) . . . . ?
C38 N8 C42 C41 0.4(8) . . . . ?
Rh2 N8 C42 C41 -177.7(5) 3_666 . . . ?
C40 C41 C42 N8 0.7(9) . . . . ?
C47 C43 C44 C45 3.2(6) . . . . ?
C48 C43 C44 C45 -176.5(5) . . . . ?
Rh1 C43 C44 C45 63.1(4) . . . . ?
C47 C43 C44 C49 178.7(6) . . . . ?
C48 C43 C44 C49 -0.9(9) . . . . ?
Rh1 C43 C44 C49 -121.3(6) . . . . ?
C47 C43 C44 Rh1 -59.9(4) . . . . ?
C48 C43 C44 Rh1 120.4(6) . . . . ?
C43 C44 C45 C46 -3.7(6) . . . . ?
C49 C44 C45 C46 -179.2(6) . . . . ?
Rh1 C44 C45 C46 59.3(4) . . . . ?
C43 C44 C45 C50 175.6(6) . . . . ?
C49 C44 C45 C50 0.1(10) . . . . ?
Rh1 C44 C45 C50 -121.3(6) . . . . ?
C43 C44 C45 Rh1 -63.1(4) . . . . ?
C49 C44 C45 Rh1 121.5(6) . . . . ?
C44 C45 C46 C51 179.1(6) . . . . ?
C50 C45 C46 C51 -0.2(11) . . . . ?
Rh1 C45 C46 C51 -121.5(7) . . . . ?
C44 C45 C46 C47 2.9(6) . . . . ?
C50 C45 C46 C47 -176.4(6) . . . . ?
Rh1 C45 C46 C47 62.3(4) . . . . ?
C44 C45 C46 Rh1 -59.3(4) . . . . ?
C50 C45 C46 Rh1 121.3(6) . . . . ?
C44 C43 C47 C52 -177.1(6) . . . . ?
C48 C43 C47 C52 2.5(9) . . . . ?
Rh1 C43 C47 C52 123.6(6) . . . . ?
C44 C43 C47 C46 -1.3(6) . . . . ?
C48 C43 C47 C46 178.4(5) . . . . ?
Rh1 C43 C47 C46 -60.6(4) . . . . ?
C44 C43 C47 Rh1 59.2(4) . . . . ?
C48 C43 C47 Rh1 -121.1(5) . . . . ?
C45 C46 C47 C43 -1.0(6) . . . . ?
C51 C46 C47 C43 -177.3(6) . . . . ?
Rh1 C46 C47 C43 61.7(4) . . . . ?
C45 C46 C47 C52 175.0(6) . . . . ?
C51 C46 C47 C52 -1.3(10) . . . . ?
Rh1 C46 C47 C52 -122.4(6) . . . . ?
C45 C46 C47 Rh1 -62.7(4) . . . . ?
C51 C46 C47 Rh1 121.0(7) . . . . ?
C57 C53 C54 C55 -3.7(6) . . . . ?
C58 C53 C54 C55 -176.7(6) . . . . ?
Rh2 C53 C54 C55 60.0(4) . . . . ?
C57 C53 C54 C59 176.5(6) . . . . ?
C58 C53 C54 C59 3.4(11) . . . . ?
Rh2 C53 C54 C59 -119.9(7) . . . . ?
C57 C53 C54 Rh2 -63.7(4) . . . . ?
C58 C53 C54 Rh2 123.3(7) . . . . ?
C53 C54 C55 C56 3.2(6) . . . . ?
C59 C54 C55 C56 -177.0(6) . . . . ?
Rh2 C54 C55 C56 63.2(4) . . . . ?
C53 C54 C55 C60 -178.7(6) . . . . ?
C59 C54 C55 C60 1.2(10) . . . . ?
Rh2 C54 C55 C60 -118.6(7) . . . . ?
C53 C54 C55 Rh2 -60.1(4) . . . . ?
C59 C54 C55 Rh2 119.8(7) . . . . ?
C54 C55 C56 C57 -1.5(7) . . . . ?
C60 C55 C56 C57 -179.7(6) . . . . ?
Rh2 C55 C56 C57 61.4(4) . . . . ?
C54 C55 C56 C61 175.3(6) . . . . ?
C60 C55 C56 C61 -2.9(10) . . . . ?
Rh2 C55 C56 C61 -121.8(6) . . . . ?
C54 C55 C56 Rh2 -62.9(4) . . . . ?
C60 C55 C56 Rh2 118.9(7) . . . . ?
C55 C56 C57 C53 -0.8(7) . . . . ?
C61 C56 C57 C53 -177.5(6) . . . . ?
Rh2 C56 C57 C53 59.1(5) . . . . ?
C55 C56 C57 C62 178.9(6) . . . . ?
C61 C56 C57 C62 2.3(11) . . . . ?
Rh2 C56 C57 C62 -121.1(7) . . . . ?
C55 C56 C57 Rh2 -60.0(4) . . . . ?
C61 C56 C57 Rh2 123.4(7) . . . . ?
C54 C53 C57 C56 2.8(7) . . . . ?
C58 C53 C57 C56 176.3(6) . . . . ?
Rh2 C53 C57 C56 -60.2(5) . . . . ?
C54 C53 C57 C62 -176.9(6) . . . . ?
C58 C53 C57 C62 -3.5(11) . . . . ?
Rh2 C53 C57 C62 120.1(7) . . . . ?
C54 C53 C57 Rh2 63.0(4) . . . . ?
C58 C53 C57 Rh2 -123.5(7) . . . . ?
C71 N12 C63 N9 1.8(6) . . . . ?
Rh4' N12 C63 N9 -176.0(4) . . . . ?
Rh4 N12 C63 N9 -178.8(4) . . . . ?
C71 N12 C63 C64 -169.8(5) . . . . ?
Rh4' N12 C63 C64 12.4(7) . . . . ?
Rh4 N12 C63 C64 9.6(7) . . . . ?
C76 N9 C63 N12 -1.4(6) . . . . ?
Rh3 N9 C63 N12 177.3(4) . . . . ?
C76 N9 C63 C64 170.2(5) . . . . ?
Rh3 N9 C63 C64 -11.0(6) . . . . ?
C65 N10 C64 N11 0.8(6) . . . . ?
Rh3 N10 C64 N11 -176.8(4) . . . . ?
C65 N10 C64 C63 -172.7(5) . . . . ?
Rh3 N10 C64 C63 9.7(6) . . . . ?
C70 N11 C64 N10 -0.4(7) . . . . ?
Rh4 N11 C64 N10 177.0(4) . . . . ?
Rh4' N11 C64 N10 175.6(4) . . . . ?
C70 N11 C64 C63 173.1(5) . . . . ?
Rh4 N11 C64 C63 -9.5(7) . . . . ?
Rh4' N11 C64 C63 -10.9(6) . . . . ?
N12 C63 C64 N10 172.4(5) . . . . ?
N9 C63 C64 N10 1.1(8) . . . . ?
N12 C63 C64 N11 -0.8(8) . . . . ?
N9 C63 C64 N11 -172.0(5) . . . . ?
C64 N10 C65 C66 177.3(6) . . . . ?
Rh3 N10 C65 C66 -7.0(12) . . . . ?
C64 N10 C65 C70 -0.8(6) . . . . ?
Rh3 N10 C65 C70 174.9(5) . . . . ?
N10 C65 C66 C67 -178.7(6) . . . . ?
C70 C65 C66 C67 -0.7(9) . . . . ?
C65 C66 C67 C68 0.8(10) . . . . ?
C66 C67 C68 C69 -0.2(11) . . . . ?
C67 C68 C69 C70 -0.4(11) . . . . ?
C64 N11 C70 C69 -177.7(6) . . . . ?
Rh4 N11 C70 C69 6.7(13) . . . . ?
Rh4' N11 C70 C69 9.8(13) . . . . ?
C64 N11 C70 C65 -0.2(6) . . . . ?
Rh4 N11 C70 C65 -175.8(6) . . . . ?
Rh4' N11 C70 C65 -172.6(6) . . . . ?
C68 C69 C70 N11 177.7(7) . . . . ?
C68 C69 C70 C65 0.5(9) . . . . ?
C66 C65 C70 N11 -177.7(5) . . . . ?
N10 C65 C70 N11 0.6(6) . . . . ?
C66 C65 C70 C69 0.1(9) . . . . ?
N10 C65 C70 C69 178.5(5) . . . . ?
C63 N12 C71 C72 174.7(6) . . . . ?
Rh4' N12 C71 C72 -9.1(11) . . . . ?
Rh4 N12 C71 C72 -4.1(13) . . . . ?
C63 N12 C71 C76 -1.3(6) . . . . ?
Rh4' N12 C71 C76 174.8(6) . . . . ?
Rh4 N12 C71 C76 179.8(7) . . . . ?
N12 C71 C72 C73 -177.6(6) . . . . ?
C76 C71 C72 C73 -1.9(8) . . . . ?
C71 C72 C73 C74 1.1(8) . . . . ?
C72 C73 C74 C75 -0.4(9) . . . . ?
C73 C74 C75 C76 0.4(8) . . . . ?
C63 N9 C76 C75 -177.3(6) . . . . ?
Rh3 N9 C76 C75 5.0(11) . . . . ?
C63 N9 C76 C71 0.4(5) . . . . ?
Rh3 N9 C76 C71 -177.3(5) . . . . ?
C74 C75 C76 N9 176.3(5) . . . . ?
C74 C75 C76 C71 -1.2(8) . . . . ?
N12 C71 C76 N9 0.6(6) . . . . ?
C72 C71 C76 N9 -176.0(5) . . . . ?
N12 C71 C76 C75 178.6(5) . . . . ?
C72 C71 C76 C75 2.0(8) . . . . ?
C81 N13 C77 C78 3.2(8) . . . . ?
Rh3 N13 C77 C78 -173.2(4) . . . . ?
N13 C77 C78 C79 0.0(9) . . . . ?
C77 C78 C79 C80 -2.7(8) . . . . ?
C77 C78 C79 C82 178.0(5) . . . . ?
C78 C79 C80 C81 2.3(9) . . . . ?
C82 C79 C80 C81 -178.5(6) . . . . ?
C77 N13 C81 C80 -3.8(9) . . . . ?
Rh3 N13 C81 C80 172.6(5) . . . . ?
C79 C80 C81 N13 1.0(10) . . . . ?
C83 N14 C82 C79 -79.1(7) . . . . ?
C90 N14 C82 C79 102.7(6) . . . . ?
C78 C79 C82 N14 -35.7(8) . . . . ?
C80 C79 C82 N14 145.1(6) . . . . ?
C90 N14 C83 O5 179.0(6) . . . . ?
C82 N14 C83 O5 0.6(9) . . . . ?
C90 N14 C83 C84 0.9(6) . . . . ?
C82 N14 C83 C84 -177.5(5) . . . . ?
O5 C83 C84 C85 3.6(10) . . . . ?
N14 C83 C84 C85 -178.3(6) . . . . ?
O5 C83 C84 C89 -179.6(6) . . . . ?
N14 C83 C84 C89 -1.6(6) . . . . ?
C89 C84 C85 C86 0.5(8) . . . . ?
C83 C84 C85 C86 176.9(5) . . . . ?
C84 C85 C86 C87 1.1(8) . . . . ?
C84 C85 C86 C94 -178.1(5) . . . . ?
C85 C86 C87 C88 -1.0(8) . . . . ?
C94 C86 C87 C88 178.2(5) . . . . ?
C86 C87 C88 C89 -0.8(8) . . . . ?
C87 C88 C89 C84 2.4(8) . . . . ?
C87 C88 C89 C90 -179.0(5) . . . . ?
C85 C84 C89 C88 -2.3(8) . . . . ?
C83 C84 C89 C88 -179.5(5) . . . . ?
C85 C84 C89 C90 178.8(5) . . . . ?
C83 C84 C89 C90 1.6(6) . . . . ?
C83 N14 C90 O6 179.7(5) . . . . ?
C82 N14 C90 O6 -1.9(9) . . . . ?
C83 N14 C90 C89 0.1(6) . . . . ?
C82 N14 C90 C89 178.5(5) . . . . ?
C88 C89 C90 O6 0.5(10) . . . . ?
C84 C89 C90 O6 179.3(6) . . . . ?
C88 C89 C90 N14 -179.9(5) . . . . ?
C84 C89 C90 N14 -1.1(6) . . . . ?
C98 N15 C91 O7 177.2(6) . . . . ?
C99 N15 C91 O7 3.3(10) . . . . ?
C98 N15 C91 C92 -3.9(7) . . . . ?
C99 N15 C91 C92 -177.9(5) . . . . ?
O7 C91 C92 C93 4.1(11) . . . . ?
N15 C91 C92 C93 -174.7(6) . . . . ?
O7 C91 C92 C97 -178.9(6) . . . . ?
N15 C91 C92 C97 2.3(7) . . . . ?
C97 C92 C93 C94 -0.2(8) . . . . ?
C91 C92 C93 C94 176.4(6) . . . . ?
C92 C93 C94 C95 2.8(8) . . . . ?
C92 C93 C94 C86 -177.5(5) . . . . ?
C85 C86 C94 C95 142.4(6) . . . . ?
C87 C86 C94 C95 -36.8(8) . . . . ?
C85 C86 C94 C93 -37.3(8) . . . . ?
C87 C86 C94 C93 143.5(5) . . . . ?
C93 C94 C95 C96 -2.7(11) . . . . ?
C86 C94 C95 C96 177.6(7) . . . . ?
C94 C95 C96 C97 -0.1(12) . . . . ?
C93 C92 C97 C96 -2.7(10) . . . . ?
C91 C92 C97 C96 180.0(6) . . . . ?
C93 C92 C97 C98 177.3(6) . . . . ?
C91 C92 C97 C98 -0.1(7) . . . . ?
C95 C96 C97 C92 2.8(11) . . . . ?
C95 C96 C97 C98 -177.1(7) . . . . ?
C91 N15 C98 O8 -175.4(8) . . . . ?
C99 N15 C98 O8 -1.3(11) . . . . ?
C91 N15 C98 C97 3.8(7) . . . . ?
C99 N15 C98 C97 178.0(5) . . . . ?
C92 C97 C98 O8 177.0(9) . . . . ?
C96 C97 C98 O8 -3.1(14) . . . . ?
C92 C97 C98 N15 -2.2(7) . . . . ?
C96 C97 C98 N15 177.8(7) . . . . ?
C91 N15 C99 C102 -93.0(8) . . . . ?
C98 N15 C99 C102 93.6(8) . . . . ?
C104 N16 C100 C101 -4.9(15) . . . . ?
Rh4 N16 C100 C101 -178.4(9) 3_666 . . . ?
Rh4' N16 C100 C101 -176.2(9) 3_666 . . . ?
N16 C100 C101 C102 2.7(19) . . . . ?
C100 C101 C102 C103 2.4(16) . . . . ?
C100 C101 C102 C99 177.8(9) . . . . ?
N15 C99 C102 C103 -133.5(10) . . . . ?
N15 C99 C102 C101 51.6(12) . . . . ?
C101 C102 C103 C104 -5.2(18) . . . . ?
C99 C102 C103 C104 179.3(11) . . . . ?
C100 N16 C104 C103 2.2(16) . . . . ?
Rh4 N16 C104 C103 175.9(10) 3_666 . . . ?
Rh4' N16 C104 C103 172.9(9) 3_666 . . . ?
C102 C103 C104 N16 3(2) . . . . ?
C109 C105 C106 C107 2.3(6) . . . . ?
C110 C105 C106 C107 -174.3(5) . . . . ?
Rh3 C105 C106 C107 62.3(4) . . . . ?
C109 C105 C106 C111 177.7(5) . . . . ?
C110 C105 C106 C111 1.1(9) . . . . ?
Rh3 C105 C106 C111 -122.3(6) . . . . ?
C109 C105 C106 Rh3 -60.0(4) . . . . ?
C110 C105 C106 Rh3 123.4(5) . . . . ?
C105 C106 C107 C108 -3.2(6) . . . . ?
C111 C106 C107 C108 -178.6(5) . . . . ?
Rh3 C106 C107 C108 59.6(4) . . . . ?
C105 C106 C107 C112 176.3(5) . . . . ?
C111 C106 C107 C112 0.8(9) . . . . ?
Rh3 C106 C107 C112 -121.0(5) . . . . ?
C105 C106 C107 Rh3 -62.8(4) . . . . ?
C111 C106 C107 Rh3 121.8(6) . . . . ?
C106 C107 C108 C109 2.8(6) . . . . ?
C112 C107 C108 C109 -176.6(5) . . . . ?
Rh3 C107 C108 C109 62.4(4) . . . . ?
C106 C107 C108 C113 176.0(5) . . . . ?
C112 C107 C108 C113 -3.4(9) . . . . ?
Rh3 C107 C108 C113 -124.3(6) . . . . ?
C106 C107 C108 Rh3 -59.6(4) . . . . ?
C112 C107 C108 Rh3 121.0(5) . . . . ?
C106 C105 C109 C108 -0.5(6) . . . . ?
C110 C105 C109 C108 175.9(5) . . . . ?
Rh3 C105 C109 C108 -60.0(4) . . . . ?
C106 C105 C109 C114 -178.9(5) . . . . ?
C110 C105 C109 C114 -2.5(9) . . . . ?
Rh3 C105 C109 C114 121.6(6) . . . . ?
C106 C105 C109 Rh3 59.5(4) . . . . ?
C110 C105 C109 Rh3 -124.1(6) . . . . ?
C107 C108 C109 C105 -1.4(6) . . . . ?
C113 C108 C109 C105 -174.9(5) . . . . ?
Rh3 C108 C109 C105 60.9(4) . . . . ?
C107 C108 C109 C114 177.0(5) . . . . ?
C113 C108 C109 C114 3.5(9) . . . . ?
Rh3 C108 C109 C114 -120.8(6) . . . . ?
C107 C108 C109 Rh3 -62.2(4) . . . . ?
C113 C108 C109 Rh3 124.2(6) . . . . ?
O14 S2 C126 F4 179.6(9) . . . . ?
O12 S2 C126 F4 -58.3(10) . . . . ?
O13 S2 C126 F4 58.5(10) . . . . ?
O14 S2 C126 F5 -56.1(10) . . . . ?
O12 S2 C126 F5 66.1(9) . . . . ?
O13 S2 C126 F5 -177.2(8) . . . . ?
O14 S2 C126 F6 59.6(8) . . . . ?
O12 S2 C126 F6 -178.3(7) . . . . ?
O13 S2 C126 F6 -61.5(7) . . . . ?
O15 S3 C127 F7 178.5(9) . . . . ?
O17 S3 C127 F7 58.6(10) . . . . ?
O16 S3 C127 F7 -62.1(10) . . . . ?
O15 S3 C127 F8 -52.1(10) . . . . ?
O17 S3 C127 F8 -171.9(9) . . . . ?
O16 S3 C127 F8 67.4(9) . . . . ?
O15 S3 C127 F9 60.7(9) . . . . ?
O17 S3 C127 F9 -59.2(9) . . . . ?
O16 S3 C127 F9 -179.9(9) . . . . ?
O16' S3' C127 F7 -64.9(17) . . . . ?
O15' S3' C127 F7 169.1(15) . . . . ?
O17' S3' C127 F7 59.1(18) . . . . ?
O16' S3' C127 F8 47.9(18) . . . . ?
O15' S3' C127 F8 -78.1(16) . . . . ?
O17' S3' C127 F8 171.9(18) . . . . ?
O16' S3' C127 F9 176.8(17) . . . . ?
O15' S3' C127 F9 50.7(18) . . . . ?
O17' S3' C127 F9 -59(2) . . . . ?
O20 S4 C128 F10 -68(2) . . . . ?
O18 S4 C128 F10 56.7(15) . . . . ?
O19 S4 C128 F10 -167.6(15) . . . . ?
O20 S4 C128 F11 48(2) . . . . ?
O18 S4 C128 F11 172.7(12) . . . . ?
O19 S4 C128 F11 -51.6(15) . . . . ?
O20 S4 C128 F12 -176(2) . . . . ?
O18 S4 C128 F12 -51(2) . . . . ?
O19 S4 C128 F12 84(2) . . . . ?
O18' S4' C228 F12' 43(3) . . . . ?
O20' S4' C228 F12' 178(2) . . . . ?
O19' S4' C228 F12' -67.6(19) . . . . ?
O18' S4' C228 F10' -73(3) . . . . ?
O20' S4' C228 F10' 62(2) . . . . ?
O19' S4' C228 F10' 176(2) . . . . ?
O18' S4' C228 F11' 159(2) . . . . ?
O20' S4' C228 F11' -66(2) . . . . ?
O19' S4' C228 F11' 48(2) . . . . ?
