#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/93/7009349.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_7009349
loop_
_publ_author_name
'Yamanari, Kazuaki'
'Fukuda, Ito'
'Yamamoto, Shiori'
'Kushi, Yoshihiko'
'Fuyuhiro, Akira'
'Kubota, Naoko'
'Fukuo, Tsuyoshi'
'Arakawa, Ryuichi'
_publ_section_title
;
 Structural difference due to intramolecular stacking interactions in
 dinuclear rhodium(III) complexes [{Rh(η5-C5Me5)(L)}2]n+ containing
 pyrimidine-2-thionate and related ligands
;
_journal_issue                   13
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2131
_journal_paper_doi               10.1039/b000098l
_journal_year                    2000
_chemical_formula_sum            'C30 H42 N2 O5 Rh2 S2'
_chemical_formula_weight         780.60
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                95.32(4)
_cell_angle_beta                 110.15(4)
_cell_angle_gamma                107.24(3)
_cell_formula_units_Z            2
_cell_length_a                   11.101(6)
_cell_length_b                   16.935(7)
_cell_length_c                   9.974(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.9
_cell_volume                     1641.0(15)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SHELXS86
_diffrn_measured_fraction_theta_full 1.0009
_diffrn_measured_fraction_theta_max 1.0009
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       ω-2θ
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.053
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            9882
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_standards_decay_%        0.68
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.170
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.879
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.580
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.250
_refine_diff_density_max         1.31
_refine_diff_density_min         -1.26
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.358
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     370
_refine_ls_number_reflns         8036
_refine_ls_R_factor_gt           0.0328
_refine_ls_shift/su_max          0.0062
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00022|Fo|²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0512
_reflns_number_gt                8036
_reflns_number_total             3188
_reflns_threshold_expression     F²>3.0σ(F²)
_cod_data_source_file            b000098l.txt
_cod_data_source_block           '[Rh2(Cp*)2(mpol)2].3H2O'
_cod_original_cell_volume        1641(1)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C30 H42 N2 O5 S2 Rh2 '
_cod_database_code               7009349
loop_
_symmetry_equiv_pos_as_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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh(1) Rh 0.14265(2) 0.53756(1) 0.45123(2) 0.02919(6) Uani 1.00 d . . .
Rh(2) Rh 0.66004(2) 0.02826(1) -0.01490(3) 0.03143(6) Uani 1.00 d . . .
S(1) S -0.09422(7) 0.45783(5) 0.33224(7) 0.0314(2) Uani 1.00 d . . .
S(2) S 0.43574(7) 0.02243(5) -0.15690(8) 0.0330(2) Uani 1.00 d . . .
O(1) O 0.0726(2) 0.6394(1) 0.4287(2) 0.0404(6) Uani 1.00 d . . .
O(2) O 0.6744(2) 0.1468(1) 0.0884(3) 0.0430(6) Uani 1.00 d . . .
O(11) O 0.1757(4) 0.0825(3) 0.5043(4) 0.092(1) Uani 1.00 d . . .
O(12) O 0.9356(4) 0.0958(3) 0.5314(5) 0.099(1) Uani 1.00 d . . .
O(13) O 0.8054(8) 0.1982(3) 0.3897(5) 0.213(3) Uani 1.00 d . . .
N(1) N -0.2558(3) 0.5189(2) 0.1366(3) 0.0471(8) Uani 1.00 d . . .
N(2) N 0.4002(3) 0.1665(2) -0.2174(3) 0.0462(8) Uani 1.00 d . . .
C(1) C -0.1375(3) 0.5400(2) 0.2507(3) 0.0357(7) Uani 1.00 d . . .
C(2) C -0.0442(3) 0.6231(2) 0.3159(3) 0.0364(8) Uani 1.00 d . . .
C(3) C -0.0821(4) 0.6877(3) 0.2530(4) 0.052(1) Uani 1.00 d . . .
C(4) C -0.2043(5) 0.6654(3) 0.1333(5) 0.060(1) Uani 1.00 d . . .
C(5) C -0.2874(4) 0.5817(3) 0.0779(4) 0.060(1) Uani 1.00 d . . .
C(6) C 0.2357(3) 0.5495(2) 0.2933(3) 0.0401(8) Uani 1.00 d . . .
C(7) C 0.2073(4) 0.4662(2) 0.3157(4) 0.0450(9) Uani 1.00 d . . .
C(8) C 0.2826(4) 0.4705(3) 0.4677(4) 0.050(1) Uani 1.00 d . . .
C(9) C 0.3617(3) 0.5570(3) 0.5363(4) 0.051(1) Uani 1.00 d . . .
C(10) C 0.3338(3) 0.6059(2) 0.4306(4) 0.0435(8) Uani 1.00 d . . .
C(11) C 0.1784(4) 0.5762(3) 0.1525(4) 0.057(1) Uani 1.00 d . . .
C(12) C 0.1160(5) 0.3866(3) 0.2019(6) 0.071(1) Uani 1.00 d . . .
C(13) C 0.2890(6) 0.3941(4) 0.5340(7) 0.089(2) Uani 1.00 d . . .
C(14) C 0.4623(4) 0.5902(4) 0.6934(5) 0.081(2) Uani 1.00 d . . .
C(15) C 0.3905(5) 0.7005(3) 0.4537(6) 0.071(1) Uani 1.00 d . . .
C(21) C 0.4792(3) 0.1337(2) -0.1232(4) 0.0364(7) Uani 1.00 d . . .
C(22) C 0.5977(3) 0.1831(2) 0.0036(4) 0.0386(8) Uani 1.00 d . . .
C(23) C 0.6245(4) 0.2702(2) 0.0312(5) 0.052(1) Uani 1.00 d . . .
C(24) C 0.5401(5) 0.3035(2) -0.0652(6) 0.061(1) Uani 1.00 d . . .
C(25) C 0.4323(4) 0.2516(3) -0.1866(5) 0.058(1) Uani 1.00 d . . .
C(26) C 0.7915(6) 0.0692(4) -0.1272(7) 0.085(2) Uani 1.00 d . . .
C(27) C 0.7014(4) -0.0161(3) -0.1991(4) 0.060(1) Uani 1.00 d . . .
C(28) C 0.7255(4) -0.0664(2) -0.0965(4) 0.0444(9) Uani 1.00 d . . .
C(29) C 0.8343(3) -0.0158(3) 0.0362(4) 0.050(1) Uani 1.00 d . . .
C(30) C 0.8737(4) 0.0668(3) 0.0184(6) 0.071(1) Uani 1.00 d . . .
C(31) C 0.795(1) 0.1420(6) -0.203(1) 0.192(5) Uani 1.00 d . . .
C(32) C 0.6002(7) -0.0463(6) -0.3552(6) 0.125(3) Uani 1.00 d . . .
C(33) C 0.6584(5) -0.1612(3) -0.1326(6) 0.075(2) Uani 1.00 d . . .
C(34) C 0.8951(5) -0.0480(4) 0.1690(5) 0.079(2) Uani 1.00 d . . .
C(35) C 0.9833(6) 0.1416(5) 0.136(1) 0.174(3) Uani 1.00 d . . .
H(1) H -0.0247 0.7454 0.2922 0.0624 Uiso 1.00 calc . . .
H(2) H -0.2312 0.7080 0.0890 0.0717 Uiso 1.00 calc . . .
H(3) H -0.3704 0.5679 -0.0054 0.0722 Uiso 1.00 calc . . .
H(4) H 0.2144 0.6362 0.1683 0.0683 Uiso 1.00 calc . . .
H(5) H 0.2033 0.5517 0.0812 0.0683 Uiso 1.00 calc . . .
H(6) H 0.0814 0.5576 0.1190 0.0683 Uiso 1.00 calc . . .
H(7) H 0.0255 0.3875 0.1618 0.0847 Uiso 1.00 calc . . .
H(8) H 0.1491 0.3829 0.1264 0.0847 Uiso 1.00 calc . . .
H(9) H 0.1154 0.3390 0.2454 0.0847 Uiso 1.00 calc . . .
H(10) H 0.1991 0.3590 0.5193 0.1068 Uiso 1.00 calc . . .
H(11) H 0.3282 0.3629 0.4884 0.1068 Uiso 1.00 calc . . .
H(12) H 0.3438 0.4124 0.6359 0.1068 Uiso 1.00 calc . . .
H(13) H 0.4626 0.5444 0.7416 0.0975 Uiso 1.00 calc . . .
H(14) H 0.5514 0.6178 0.6962 0.0975 Uiso 1.00 calc . . .
H(15) H 0.4361 0.6293 0.7412 0.0975 Uiso 1.00 calc . . .
H(16) H 0.4539 0.7240 0.5521 0.0848 Uiso 1.00 calc . . .
H(17) H 0.4357 0.7153 0.3895 0.0848 Uiso 1.00 calc . . .
H(18) H 0.3178 0.7220 0.4341 0.0848 Uiso 1.00 calc . . .
H(19) H 0.7002 0.3064 0.1156 0.0629 Uiso 1.00 calc . . .
H(20) H 0.5574 0.3626 -0.0466 0.0731 Uiso 1.00 calc . . .
H(21) H 0.3772 0.2761 -0.2525 0.0690 Uiso 1.00 calc . . .
H(22) H 0.8610 0.1927 -0.1366 0.2300 Uiso 1.00 calc . . .
H(23) H 0.8177 0.1318 -0.2845 0.2300 Uiso 1.00 calc . . .
H(24) H 0.7069 0.1475 -0.2354 0.2300 Uiso 1.00 calc . . .
H(25) H 0.5103 -0.0703 -0.3575 0.1498 Uiso 1.00 calc . . .
H(26) H 0.6051 0.0002 -0.4022 0.1498 Uiso 1.00 calc . . .
H(27) H 0.6210 -0.0879 -0.4045 0.1498 Uiso 1.00 calc . . .
H(28) H 0.5617 -0.1759 -0.1679 0.0903 Uiso 1.00 calc . . .
H(29) H 0.6819 -0.1851 -0.2056 0.0903 Uiso 1.00 calc . . .
H(30) H 0.6891 -0.1825 -0.0471 0.0903 Uiso 1.00 calc . . .
H(31) H 0.8264 -0.0729 0.2040 0.0947 Uiso 1.00 calc . . .
H(32) H 0.9306 -0.0893 0.1442 0.0947 Uiso 1.00 calc . . .
H(33) H 0.9670 -0.0023 0.2430 0.0947 Uiso 1.00 calc . . .
H(34) H 1.0678 0.1319 0.1670 0.2084 Uiso 1.00 calc . . .
H(35) H 0.9933 0.1913 0.0972 0.2084 Uiso 1.00 calc . . .
H(36) H 0.9577 0.1485 0.2163 0.2084 Uiso 1.00 calc . . .
H(51) H 0.2498 0.1121 0.5663 0.1014 Uiso 1.00 calc . . .
H(52) H 0.1365 0.0905 0.5245 0.1431 Uiso 1.00 calc . . .
H(53) H 0.8872 0.1154 0.4885 0.0749 Uiso 1.00 calc . . .
H(54) H 0.8903 0.0523 0.5128 0.1032 Uiso 1.00 calc . . .
H(55) H 0.7534 0.1912 0.2994 0.1173 Uiso 1.00 calc . . .
H(56) H 0.8325 0.2603 0.4375 0.0553 Uiso 1.00 calc . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
N N 0.006 0.003
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
S S 0.125 0.123
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
O O 0.011 0.006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Rh Rh -1.118 0.919
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
S(1) Rh(1) S(1) 83.87(3) . 1_555 2_566 yes
S(1) Rh(1) O(1) 82.37(7) . 1_555 1_555 yes
S(1) Rh(1) C(6) 109.81(9) . 1_555 1_555 yes
S(1) Rh(1) C(7) 96.0(1) . 1_555 1_555 yes
S(1) Rh(1) C(8) 117.2(1) . 1_555 1_555 yes
S(1) Rh(1) C(9) 155.4(1) . 1_555 1_555 yes
S(1) Rh(1) C(10) 147.62(9) . 1_555 1_555 yes
S(1) Rh(1) O(1) 83.68(7) . 2_566 1_555 yes
S(1) Rh(1) C(6) 166.31(9) . 2_566 1_555 yes
S(1) Rh(1) C(7) 142.9(1) . 2_566 1_555 yes
S(1) Rh(1) C(8) 109.04(9) . 2_566 1_555 yes
S(1) Rh(1) C(9) 102.95(9) . 2_566 1_555 yes
S(1) Rh(1) C(10) 127.73(9) . 2_566 1_555 yes
O(1) Rh(1) C(6) 98.5(1) . 1_555 1_555 yes
O(1) Rh(1) C(7) 133.2(1) . 1_555 1_555 yes
O(1) Rh(1) C(8) 157.0(1) . 1_555 1_555 yes
O(1) Rh(1) C(9) 121.5(1) . 1_555 1_555 yes
O(1) Rh(1) C(10) 93.3(1) . 1_555 1_555 yes
C(6) Rh(1) C(7) 38.1(1) . 1_555 1_555 yes
C(6) Rh(1) C(8) 64.7(1) . 1_555 1_555 yes
C(6) Rh(1) C(9) 64.3(1) . 1_555 1_555 yes
C(6) Rh(1) C(10) 38.9(1) . 1_555 1_555 yes
C(7) Rh(1) C(8) 39.0(1) . 1_555 1_555 yes
C(7) Rh(1) C(9) 64.2(1) . 1_555 1_555 yes
C(7) Rh(1) C(10) 63.9(1) . 1_555 1_555 yes
C(8) Rh(1) C(9) 38.2(2) . 1_555 1_555 yes
C(8) Rh(1) C(10) 63.7(1) . 1_555 1_555 yes
C(9) Rh(1) C(10) 37.5(1) . 1_555 1_555 yes
S(2) Rh(2) S(2) 85.02(4) . 1_555 2_655 yes
S(2) Rh(2) O(2) 82.32(6) . 1_555 1_555 yes
S(2) Rh(2) C(26) 110.0(2) . 1_555 1_555 yes
S(2) Rh(2) C(27) 95.3(1) . 1_555 1_555 yes
S(2) Rh(2) C(28) 115.9(1) . 1_555 1_555 yes
S(2) Rh(2) C(29) 154.1(1) . 1_555 1_555 yes
S(2) Rh(2) C(30) 148.4(2) . 1_555 1_555 yes
S(2) Rh(2) O(2) 83.28(7) . 2_655 1_555 yes
S(2) Rh(2) C(26) 164.9(2) . 2_655 1_555 yes
S(2) Rh(2) C(27) 141.7(1) . 2_655 1_555 yes
S(2) Rh(2) C(28) 108.61(10) . 2_655 1_555 yes
S(2) Rh(2) C(29) 101.8(1) . 2_655 1_555 yes
S(2) Rh(2) C(30) 126.1(2) . 2_655 1_555 yes
O(2) Rh(2) C(26) 99.6(2) . 1_555 1_555 yes
O(2) Rh(2) C(27) 134.9(2) . 1_555 1_555 yes
O(2) Rh(2) C(28) 158.4(1) . 1_555 1_555 yes
O(2) Rh(2) C(29) 123.1(1) . 1_555 1_555 yes
O(2) Rh(2) C(30) 95.0(1) . 1_555 1_555 yes
C(26) Rh(2) C(27) 39.0(2) . 1_555 1_555 yes
C(26) Rh(2) C(28) 64.4(2) . 1_555 1_555 yes
C(26) Rh(2) C(29) 64.1(2) . 1_555 1_555 yes
C(26) Rh(2) C(30) 39.1(2) . 1_555 1_555 yes
C(27) Rh(2) C(28) 37.8(1) . 1_555 1_555 yes
C(27) Rh(2) C(29) 63.8(1) . 1_555 1_555 yes
C(27) Rh(2) C(30) 64.5(2) . 1_555 1_555 yes
C(28) Rh(2) C(29) 38.2(1) . 1_555 1_555 yes
C(28) Rh(2) C(30) 63.4(2) . 1_555 1_555 yes
C(29) Rh(2) C(30) 37.1(2) . 1_555 1_555 yes
Rh(1) S(1) Rh(1) 96.13(3) . 1_555 2_566 yes
Rh(1) S(1) C(1) 94.9(1) . 1_555 1_555 yes
Rh(1) S(1) C(1) 106.65(10) . 2_566 1_555 yes
Rh(2) S(2) Rh(2) 94.98(4) . 1_555 2_655 yes
Rh(2) S(2) C(21) 94.3(1) . 1_555 1_555 yes
Rh(2) S(2) C(21) 107.4(1) . 2_655 1_555 yes
Rh(1) O(1) C(2) 114.7(2) . 1_555 1_555 yes
Rh(2) O(2) C(22) 114.6(2) . 1_555 1_555 yes
C(1) N(1) C(5) 117.3(3) . 1_555 1_555 yes
C(21) N(2) C(25) 117.4(3) . 1_555 1_555 yes
S(1) C(1) N(1) 118.2(3) . 1_555 1_555 yes
S(1) C(1) C(2) 116.8(2) . 1_555 1_555 yes
N(1) C(1) C(2) 125.1(3) . 1_555 1_555 yes
O(1) C(2) C(1) 121.8(3) . 1_555 1_555 yes
O(1) C(2) C(3) 122.1(3) . 1_555 1_555 yes
C(1) C(2) C(3) 116.1(3) . 1_555 1_555 yes
C(2) C(3) C(4) 118.6(4) . 1_555 1_555 yes
C(3) C(4) C(5) 120.4(3) . 1_555 1_555 yes
N(1) C(5) C(4) 122.6(4) . 1_555 1_555 yes
Rh(1) C(6) C(7) 71.3(2) . 1_555 1_555 yes
Rh(1) C(6) C(10) 71.6(2) . 1_555 1_555 yes
Rh(1) C(6) C(11) 123.7(2) . 1_555 1_555 yes
C(7) C(6) C(10) 107.6(3) . 1_555 1_555 yes
C(7) C(6) C(11) 127.0(3) . 1_555 1_555 yes
C(10) C(6) C(11) 125.4(3) . 1_555 1_555 yes
Rh(1) C(7) C(6) 70.7(2) . 1_555 1_555 yes
Rh(1) C(7) C(8) 70.1(2) . 1_555 1_555 yes
Rh(1) C(7) C(12) 125.3(3) . 1_555 1_555 yes
C(6) C(7) C(8) 108.0(3) . 1_555 1_555 yes
C(6) C(7) C(12) 126.4(4) . 1_555 1_555 yes
C(8) C(7) C(12) 125.6(4) . 1_555 1_555 yes
Rh(1) C(8) C(7) 70.9(2) . 1_555 1_555 yes
Rh(1) C(8) C(9) 72.3(2) . 1_555 1_555 yes
Rh(1) C(8) C(13) 128.7(3) . 1_555 1_555 yes
C(7) C(8) C(9) 107.9(3) . 1_555 1_555 yes
C(7) C(8) C(13) 124.5(4) . 1_555 1_555 yes
C(9) C(8) C(13) 127.0(4) . 1_555 1_555 yes
Rh(1) C(9) C(8) 69.5(2) . 1_555 1_555 yes
Rh(1) C(9) C(10) 71.0(2) . 1_555 1_555 yes
Rh(1) C(9) C(14) 126.9(3) . 1_555 1_555 yes
C(8) C(9) C(10) 108.1(3) . 1_555 1_555 yes
C(8) C(9) C(14) 126.0(4) . 1_555 1_555 yes
C(10) C(9) C(14) 125.9(4) . 1_555 1_555 yes
Rh(1) C(10) C(6) 69.5(2) . 1_555 1_555 yes
Rh(1) C(10) C(9) 71.4(2) . 1_555 1_555 yes
Rh(1) C(10) C(15) 123.3(3) . 1_555 1_555 yes
C(6) C(10) C(9) 108.4(3) . 1_555 1_555 yes
C(6) C(10) C(15) 124.5(4) . 1_555 1_555 yes
C(9) C(10) C(15) 127.1(4) . 1_555 1_555 yes
S(2) C(21) N(2) 118.4(3) . 1_555 1_555 yes
S(2) C(21) C(22) 117.7(2) . 1_555 1_555 yes
N(2) C(21) C(22) 123.9(3) . 1_555 1_555 yes
O(2) C(22) C(21) 120.7(3) . 1_555 1_555 yes
O(2) C(22) C(23) 123.2(3) . 1_555 1_555 yes
C(21) C(22) C(23) 116.1(3) . 1_555 1_555 yes
C(22) C(23) C(24) 119.6(4) . 1_555 1_555 yes
C(23) C(24) C(25) 120.1(4) . 1_555 1_555 yes
N(2) C(25) C(24) 122.8(3) . 1_555 1_555 yes
Rh(2) C(26) C(27) 71.7(2) . 1_555 1_555 yes
Rh(2) C(26) C(30) 71.5(2) . 1_555 1_555 yes
Rh(2) C(26) C(31) 123.8(3) . 1_555 1_555 yes
C(27) C(26) C(30) 106.9(4) . 1_555 1_555 yes
C(27) C(26) C(31) 122.7(7) . 1_555 1_555 yes
C(30) C(26) C(31) 130.4(8) . 1_555 1_555 yes
Rh(2) C(27) C(26) 69.2(2) . 1_555 1_555 yes
Rh(2) C(27) C(28) 70.5(2) . 1_555 1_555 yes
Rh(2) C(27) C(32) 125.5(3) . 1_555 1_555 yes
C(26) C(27) C(28) 107.2(4) . 1_555 1_555 yes
C(26) C(27) C(32) 126.8(5) . 1_555 1_555 yes
C(28) C(27) C(32) 126.1(6) . 1_555 1_555 yes
Rh(2) C(28) C(27) 71.6(2) . 1_555 1_555 yes
Rh(2) C(28) C(29) 72.5(2) . 1_555 1_555 yes
Rh(2) C(28) C(33) 128.7(2) . 1_555 1_555 yes
C(27) C(28) C(29) 109.4(4) . 1_555 1_555 yes
C(27) C(28) C(33) 123.5(4) . 1_555 1_555 yes
C(29) C(28) C(33) 126.6(4) . 1_555 1_555 yes
Rh(2) C(29) C(28) 69.3(2) . 1_555 1_555 yes
Rh(2) C(29) C(30) 70.2(2) . 1_555 1_555 yes
Rh(2) C(29) C(34) 126.8(3) . 1_555 1_555 yes
C(28) C(29) C(30) 107.7(4) . 1_555 1_555 yes
C(28) C(29) C(34) 125.2(4) . 1_555 1_555 yes
C(30) C(29) C(34) 127.1(4) . 1_555 1_555 yes
Rh(2) C(30) C(26) 69.3(2) . 1_555 1_555 yes
Rh(2) C(30) C(29) 72.7(2) . 1_555 1_555 yes
Rh(2) C(30) C(35) 122.9(3) . 1_555 1_555 yes
C(26) C(30) C(29) 108.8(4) . 1_555 1_555 yes
C(26) C(30) C(35) 126.3(7) . 1_555 1_555 yes
C(29) C(30) C(35) 124.8(7) . 1_555 1_555 yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh(1) S(1) 2.365(1) . . yes
Rh(1) S(1) 2.3986(7) . 2_566 yes
Rh(1) O(1) 2.093(2) . . yes
Rh(1) C(6) 2.156(3) . . yes
Rh(1) C(7) 2.164(3) . . yes
Rh(1) C(8) 2.153(3) . . yes
Rh(1) C(9) 2.190(3) . . yes
Rh(1) C(10) 2.185(3) . . yes
Rh(2) S(2) 2.369(1) . . yes
Rh(2) S(2) 2.4064(8) . 2_655 yes
Rh(2) O(2) 2.105(2) . . yes
Rh(2) C(26) 2.130(4) . . yes
Rh(2) C(27) 2.163(4) . . yes
Rh(2) C(28) 2.149(3) . . yes
Rh(2) C(29) 2.192(3) . . yes
Rh(2) C(30) 2.160(4) . . yes
S(1) C(1) 1.778(3) . . yes
S(2) C(21) 1.769(3) . . yes
O(1) C(2) 1.322(4) . . yes
O(2) C(22) 1.315(4) . . yes
N(1) C(1) 1.329(4) . . yes
N(1) C(5) 1.338(5) . . yes
N(2) C(21) 1.334(4) . . yes
N(2) C(25) 1.354(5) . . yes
C(1) C(2) 1.407(5) . . yes
C(2) C(3) 1.408(4) . . yes
C(3) C(4) 1.381(6) . . yes
C(4) C(5) 1.376(7) . . yes
C(6) C(7) 1.408(5) . . yes
C(6) C(10) 1.445(5) . . yes
C(6) C(11) 1.501(5) . . yes
C(7) C(8) 1.440(5) . . yes
C(7) C(12) 1.499(6) . . yes
C(8) C(9) 1.422(6) . . yes
C(8) C(13) 1.516(6) . . yes
C(9) C(10) 1.408(5) . . yes
C(9) C(14) 1.509(5) . . yes
C(10) C(15) 1.500(6) . . yes
C(21) C(22) 1.426(5) . . yes
C(22) C(23) 1.396(4) . . yes
C(23) C(24) 1.382(6) . . yes
C(24) C(25) 1.361(7) . . yes
C(26) C(27) 1.435(8) . . yes
C(26) C(30) 1.437(8) . . yes
C(26) C(31) 1.501(7) . . yes
C(27) C(28) 1.398(5) . . yes
C(27) C(32) 1.501(7) . . yes
C(28) C(29) 1.421(5) . . yes
C(28) C(33) 1.503(6) . . yes
C(29) C(30) 1.384(6) . . yes
C(29) C(34) 1.499(6) . . yes
C(30) C(35) 1.511(8) . . yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
O(1) O(13) 2.802(5) . 2_666 ?
O(2) O(13) 2.767(5) . . ?
O(11) O(12) 2.837(6) . 2_656 ?
O(11) O(12) 2.841(6) . 1_455 ?
O(11) N(2) 2.888(5) . 1_556 ?
O(11) C(32) 3.473(7) . 2_655 ?
O(12) O(13) 2.763(6) . . ?
O(12) C(34) 3.255(6) . 2_756 ?
C(4) C(25) 3.401(5) . 2_565 ?
Rh(1) Rh(1) 3.544(2) . 2_566 ?
Rh(2) Rh(2) 3.521(2) . 2_655 ?
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
Rh(1) S(1) Rh(1) S(1) 0.0 1_555 1_555 2_566 2_566 yes
Rh(1) S(1) Rh(1) O(1) -82.97(7) 1_555 1_555 2_566 2_566 yes
Rh(1) S(1) Rh(1) C(6) 177.0(4) 1_555 1_555 2_566 2_566 yes
Rh(1) S(1) Rh(1) C(7) 91.9(2) 1_555 1_555 2_566 2_566 yes
Rh(1) S(1) Rh(1) C(8) 116.7(1) 1_555 1_555 2_566 2_566 yes
Rh(1) S(1) Rh(1) C(9) 156.1(1) 1_555 1_555 2_566 2_566 yes
Rh(1) S(1) Rh(1) C(10) -172.2(1) 1_555 1_555 2_566 2_566 yes
Rh(1) S(1) C(1) N(1) 160.7(2) 1_555 1_555 1_555 1_555 yes
Rh(1) S(1) C(1) C(2) -21.0(2) 1_555 1_555 1_555 1_555 yes
Rh(1) S(1) Rh(1) S(1) 0.0 1_555 2_566 2_566 1_555 yes
Rh(1) S(1) Rh(1) O(1) 84.41(7) 1_555 2_566 2_566 2_566 yes
Rh(1) S(1) Rh(1) C(6) -179.2(1) 1_555 2_566 2_566 2_566 yes
Rh(1) S(1) Rh(1) C(7) -142.7(1) 1_555 2_566 2_566 2_566 yes
Rh(1) S(1) Rh(1) C(8) -108.3(1) 1_555 2_566 2_566 2_566 yes
Rh(1) S(1) Rh(1) C(9) -107.9(2) 1_555 2_566 2_566 2_566 yes
Rh(1) S(1) Rh(1) C(10) 168.5(2) 1_555 2_566 2_566 2_566 yes
Rh(1) S(1) C(1) N(1) 101.4(2) 1_555 2_566 2_566 2_566 yes
Rh(1) S(1) C(1) C(2) -76.9(2) 1_555 2_566 2_566 2_566 yes
Rh(1) O(1) C(2) C(1) 22.4(4) 1_555 1_555 1_555 1_555 yes
Rh(1) O(1) C(2) C(3) -157.1(2) 1_555 1_555 1_555 1_555 yes
Rh(1) C(6) C(7) C(8) -60.5(2) 1_555 1_555 1_555 1_555 yes
Rh(1) C(6) C(7) C(12) 120.1(3) 1_555 1_555 1_555 1_555 yes
Rh(1) C(6) C(10) C(9) 61.1(2) 1_555 1_555 1_555 1_555 yes
Rh(1) C(6) C(10) C(15) -117.0(3) 1_555 1_555 1_555 1_555 yes
Rh(1) C(7) C(6) C(10) 62.9(2) 1_555 1_555 1_555 1_555 yes
Rh(1) C(7) C(6) C(11) -118.5(3) 1_555 1_555 1_555 1_555 yes
Rh(1) C(7) C(8) C(9) -63.3(2) 1_555 1_555 1_555 1_555 yes
Rh(1) C(7) C(8) C(13) 124.4(4) 1_555 1_555 1_555 1_555 yes
Rh(1) C(8) C(7) C(6) 60.8(2) 1_555 1_555 1_555 1_555 yes
Rh(1) C(8) C(7) C(12) -119.7(3) 1_555 1_555 1_555 1_555 yes
Rh(1) C(8) C(9) C(10) -60.8(2) 1_555 1_555 1_555 1_555 yes
Rh(1) C(8) C(9) C(14) 121.4(3) 1_555 1_555 1_555 1_555 yes
Rh(1) C(9) C(8) C(7) 62.4(2) 1_555 1_555 1_555 1_555 yes
Rh(1) C(9) C(8) C(13) -125.6(4) 1_555 1_555 1_555 1_555 yes
Rh(1) C(9) C(10) C(6) -59.9(2) 1_555 1_555 1_555 1_555 yes
Rh(1) C(9) C(10) C(15) 118.2(4) 1_555 1_555 1_555 1_555 yes
Rh(1) C(10) C(6) C(7) -62.6(2) 1_555 1_555 1_555 1_555 yes
Rh(1) C(10) C(6) C(11) 118.7(3) 1_555 1_555 1_555 1_555 yes
Rh(1) C(10) C(9) C(8) 59.9(2) 1_555 1_555 1_555 1_555 yes
Rh(1) C(10) C(9) C(14) -122.3(4) 1_555 1_555 1_555 1_555 yes
Rh(2) S(2) Rh(2) S(2) 0.0 1_555 1_555 2_655 2_655 yes
Rh(2) S(2) Rh(2) O(2) -82.83(6) 1_555 1_555 2_655 2_655 yes
Rh(2) S(2) Rh(2) C(26) 175.4(7) 1_555 1_555 2_655 2_655 yes
Rh(2) S(2) Rh(2) C(27) 92.3(2) 1_555 1_555 2_655 2_655 yes
Rh(2) S(2) Rh(2) C(28) 115.7(1) 1_555 1_555 2_655 2_655 yes
Rh(2) S(2) Rh(2) C(29) 154.7(1) 1_555 1_555 2_655 2_655 yes
Rh(2) S(2) Rh(2) C(30) -174.1(2) 1_555 1_555 2_655 2_655 yes
Rh(2) S(2) C(21) N(2) 157.5(2) 1_555 1_555 1_555 1_555 yes
Rh(2) S(2) C(21) C(22) -22.2(2) 1_555 1_555 1_555 1_555 yes
Rh(2) S(2) Rh(2) S(2) 0.0 1_555 2_655 2_655 1_555 yes
Rh(2) S(2) Rh(2) O(2) 83.87(7) 1_555 2_655 2_655 2_655 yes
Rh(2) S(2) Rh(2) C(26) -178.7(2) 1_555 2_655 2_655 2_655 yes
Rh(2) S(2) Rh(2) C(27) -141.5(1) 1_555 2_655 2_655 2_655 yes
Rh(2) S(2) Rh(2) C(28) -108.3(1) 1_555 2_655 2_655 2_655 yes
Rh(2) S(2) Rh(2) C(29) -107.0(2) 1_555 2_655 2_655 2_655 yes
Rh(2) S(2) Rh(2) C(30) 170.9(2) 1_555 2_655 2_655 2_655 yes
Rh(2) S(2) C(21) N(2) 105.9(2) 1_555 2_655 2_655 2_655 yes
Rh(2) S(2) C(21) C(22) -74.4(2) 1_555 2_655 2_655 2_655 yes
Rh(2) O(2) C(22) C(21) 23.4(4) 1_555 1_555 1_555 1_555 yes
Rh(2) O(2) C(22) C(23) -157.3(3) 1_555 1_555 1_555 1_555 yes
Rh(2) C(26) C(27) C(28) -60.7(2) 1_555 1_555 1_555 1_555 yes
Rh(2) C(26) C(27) C(32) 119.5(4) 1_555 1_555 1_555 1_555 yes
Rh(2) C(26) C(30) C(29) 62.4(3) 1_555 1_555 1_555 1_555 yes
Rh(2) C(26) C(30) C(35) -116.3(4) 1_555 1_555 1_555 1_555 yes
Rh(2) C(27) C(26) C(30) 63.4(3) 1_555 1_555 1_555 1_555 yes
Rh(2) C(27) C(26) C(31) -119.0(4) 1_555 1_555 1_555 1_555 yes
Rh(2) C(27) C(28) C(29) -63.1(2) 1_555 1_555 1_555 1_555 yes
Rh(2) C(27) C(28) C(33) 124.8(3) 1_555 1_555 1_555 1_555 yes
Rh(2) C(28) C(27) C(26) 59.8(3) 1_555 1_555 1_555 1_555 yes
Rh(2) C(28) C(27) C(32) -120.3(4) 1_555 1_555 1_555 1_555 yes
Rh(2) C(28) C(29) C(30) -59.9(3) 1_555 1_555 1_555 1_555 yes
Rh(2) C(28) C(29) C(34) 121.1(4) 1_555 1_555 1_555 1_555 yes
Rh(2) C(29) C(28) C(27) 62.6(2) 1_555 1_555 1_555 1_555 yes
Rh(2) C(29) C(28) C(33) -125.7(3) 1_555 1_555 1_555 1_555 yes
Rh(2) C(29) C(30) C(26) -60.2(3) 1_555 1_555 1_555 1_555 yes
Rh(2) C(29) C(30) C(35) 118.4(4) 1_555 1_555 1_555 1_555 yes
Rh(2) C(30) C(26) C(27) -63.5(2) 1_555 1_555 1_555 1_555 yes
Rh(2) C(30) C(26) C(31) 119.1(5) 1_555 1_555 1_555 1_555 yes
Rh(2) C(30) C(29) C(28) 59.4(2) 1_555 1_555 1_555 1_555 yes
Rh(2) C(30) C(29) C(34) -121.7(4) 1_555 1_555 1_555 1_555 yes
S(1) Rh(1) S(1) Rh(1) 0.0 1_555 1_555 2_566 2_566 yes
S(1) Rh(1) S(1) C(1) 97.0(1) 1_555 1_555 2_566 2_566 yes
S(1) Rh(1) O(1) C(2) -27.9(2) 1_555 1_555 1_555 1_555 yes
S(1) Rh(1) C(6) C(7) -73.8(2) 1_555 1_555 1_555 1_555 yes
S(1) Rh(1) C(6) C(10) 169.5(2) 1_555 1_555 1_555 1_555 yes
S(1) Rh(1) C(6) C(11) 48.7(3) 1_555 1_555 1_555 1_555 yes
S(1) Rh(1) C(7) C(6) 114.7(2) 1_555 1_555 1_555 1_555 yes
S(1) Rh(1) C(7) C(8) -126.9(2) 1_555 1_555 1_555 1_555 yes
S(1) Rh(1) C(7) C(12) -6.7(4) 1_555 1_555 1_555 1_555 yes
S(1) Rh(1) C(8) C(7) 63.4(2) 1_555 1_555 1_555 1_555 yes
S(1) Rh(1) C(8) C(9) -179.7(2) 1_555 1_555 1_555 1_555 yes
S(1) Rh(1) C(8) C(13) -56.0(5) 1_555 1_555 1_555 1_555 yes
S(1) Rh(1) C(9) C(8) 0.6(3) 1_555 1_555 1_555 1_555 yes
S(1) Rh(1) C(9) C(10) 119.2(3) 1_555 1_555 1_555 1_555 yes
S(1) Rh(1) C(9) C(14) -119.7(4) 1_555 1_555 1_555 1_555 yes
S(1) Rh(1) C(10) C(6) -18.6(3) 1_555 1_555 1_555 1_555 yes
S(1) Rh(1) C(10) C(9) -137.3(2) 1_555 1_555 1_555 1_555 yes
S(1) Rh(1) C(10) C(15) 99.9(3) 1_555 1_555 1_555 1_555 yes
S(1) Rh(1) S(1) Rh(1) 0.0 1_555 2_566 2_566 1_555 yes
S(1) Rh(1) S(1) C(1) -107.36(10) 1_555 2_566 2_566 2_566 yes
S(1) Rh(1) O(1) C(2) 112.5(2) 1_555 2_566 2_566 2_566 yes
S(1) Rh(1) C(6) C(7) -103.0(4) 1_555 2_566 2_566 2_566 yes
S(1) Rh(1) C(6) C(10) 13.6(5) 1_555 2_566 2_566 2_566 yes
S(1) Rh(1) C(6) C(11) 134.5(3) 1_555 2_566 2_566 2_566 yes
S(1) Rh(1) C(7) C(6) 157.5(1) 1_555 2_566 2_566 2_566 yes
S(1) Rh(1) C(7) C(8) 39.1(3) 1_555 2_566 2_566 2_566 yes
S(1) Rh(1) C(7) C(12) -81.1(4) 1_555 2_566 2_566 2_566 yes
S(1) Rh(1) C(8) C(7) -156.3(2) 1_555 2_566 2_566 2_566 yes
S(1) Rh(1) C(8) C(9) 86.8(2) 1_555 2_566 2_566 2_566 yes
S(1) Rh(1) C(8) C(13) -36.8(5) 1_555 2_566 2_566 2_566 yes
S(1) Rh(1) C(9) C(8) -104.4(2) 1_555 2_566 2_566 2_566 yes
S(1) Rh(1) C(9) C(10) 137.0(2) 1_555 2_566 2_566 2_566 yes
S(1) Rh(1) C(9) C(14) 15.8(5) 1_555 2_566 2_566 2_566 yes
S(1) Rh(1) C(10) C(6) -176.0(2) 1_555 2_566 2_566 2_566 yes
S(1) Rh(1) C(10) C(9) -57.2(3) 1_555 2_566 2_566 2_566 yes
S(1) Rh(1) C(10) C(15) 65.5(4) 1_555 2_566 2_566 2_566 yes
S(1) C(1) N(1) C(5) 179.2(3) 1_555 1_555 1_555 1_555 yes
S(1) C(1) C(2) O(1) 2.5(4) 1_555 1_555 1_555 1_555 yes
S(1) C(1) C(2) C(3) -178.0(2) 1_555 1_555 1_555 1_555 yes
S(2) Rh(2) S(2) Rh(2) 0.0 1_555 1_555 2_655 2_655 yes
S(2) Rh(2) S(2) C(21) 96.1(1) 1_555 1_555 2_655 2_655 yes
S(2) Rh(2) O(2) C(22) -29.4(2) 1_555 1_555 1_555 1_555 yes
S(2) Rh(2) C(26) C(27) -73.0(2) 1_555 1_555 1_555 1_555 yes
S(2) Rh(2) C(26) C(30) 171.4(2) 1_555 1_555 1_555 1_555 yes
S(2) Rh(2) C(26) C(31) 44.7(8) 1_555 1_555 1_555 1_555 yes
S(2) Rh(2) C(27) C(26) 115.5(3) 1_555 1_555 1_555 1_555 yes
S(2) Rh(2) C(27) C(28) -126.5(2) 1_555 1_555 1_555 1_555 yes
S(2) Rh(2) C(27) C(32) -5.5(6) 1_555 1_555 1_555 1_555 yes
S(2) Rh(2) C(28) C(27) 62.8(3) 1_555 1_555 1_555 1_555 yes
S(2) Rh(2) C(28) C(29) -179.1(2) 1_555 1_555 1_555 1_555 yes
S(2) Rh(2) C(28) C(33) -55.8(4) 1_555 1_555 1_555 1_555 yes
S(2) Rh(2) C(29) C(28) 1.9(4) 1_555 1_555 1_555 1_555 yes
S(2) Rh(2) C(29) C(30) 120.7(3) 1_555 1_555 1_555 1_555 yes
S(2) Rh(2) C(29) C(34) -117.2(4) 1_555 1_555 1_555 1_555 yes
S(2) Rh(2) C(30) C(26) -15.5(4) 1_555 1_555 1_555 1_555 yes
S(2) Rh(2) C(30) C(29) -134.1(2) 1_555 1_555 1_555 1_555 yes
S(2) Rh(2) C(30) C(35) 105.1(7) 1_555 1_555 1_555 1_555 yes
S(2) Rh(2) S(2) Rh(2) 0.0 1_555 2_655 2_655 1_555 yes
S(2) Rh(2) S(2) C(21) -107.9(1) 1_555 2_655 2_655 2_655 yes
S(2) Rh(2) O(2) C(22) 115.3(2) 1_555 2_655 2_655 2_655 yes
S(2) Rh(2) C(26) C(27) -102.1(7) 1_555 2_655 2_655 2_655 yes
S(2) Rh(2) C(26) C(30) 13.5(9) 1_555 2_655 2_655 2_655 yes
S(2) Rh(2) C(26) C(31) 140.2(7) 1_555 2_655 2_655 2_655 yes
S(2) Rh(2) C(27) C(26) 155.8(2) 1_555 2_655 2_655 2_655 yes
S(2) Rh(2) C(27) C(28) 37.8(3) 1_555 2_655 2_655 2_655 yes
S(2) Rh(2) C(27) C(32) -83.2(6) 1_555 2_655 2_655 2_655 yes
S(2) Rh(2) C(28) C(27) -156.3(2) 1_555 2_655 2_655 2_655 yes
S(2) Rh(2) C(28) C(29) 85.5(2) 1_555 2_655 2_655 2_655 yes
S(2) Rh(2) C(28) C(33) -37.7(4) 1_555 2_655 2_655 2_655 yes
S(2) Rh(2) C(29) C(28) -105.1(2) 1_555 2_655 2_655 2_655 yes
S(2) Rh(2) C(29) C(30) 136.1(3) 1_555 2_655 2_655 2_655 yes
S(2) Rh(2) C(29) C(34) 14.0(4) 1_555 2_655 2_655 2_655 yes
S(2) Rh(2) C(30) C(26) -175.7(3) 1_555 2_655 2_655 2_655 yes
S(2) Rh(2) C(30) C(29) -57.1(3) 1_555 2_655 2_655 2_655 yes
S(2) Rh(2) C(30) C(35) 63.7(7) 1_555 2_655 2_655 2_655 yes
S(2) C(21) N(2) C(25) 177.6(3) 1_555 1_555 1_555 1_555 yes
S(2) C(21) C(22) O(2) 2.8(4) 1_555 1_555 1_555 1_555 yes
S(2) C(21) C(22) C(23) -176.6(2) 1_555 1_555 1_555 1_555 yes
O(1) Rh(1) S(1) C(1) 23.0(1) 1_555 1_555 1_555 1_555 yes
O(1) Rh(1) S(1) C(1) 180.0(1) 1_555 1_555 2_566 2_566 yes
O(1) Rh(1) C(6) C(7) -158.7(2) 1_555 1_555 1_555 1_555 yes
O(1) Rh(1) C(6) C(10) 84.6(2) 1_555 1_555 1_555 1_555 yes
O(1) Rh(1) C(6) C(11) -36.2(3) 1_555 1_555 1_555 1_555 yes
O(1) Rh(1) C(7) C(6) 29.5(3) 1_555 1_555 1_555 1_555 yes
O(1) Rh(1) C(7) C(8) 147.9(2) 1_555 1_555 1_555 1_555 yes
O(1) Rh(1) C(7) C(12) -91.9(4) 1_555 1_555 1_555 1_555 yes
O(1) Rh(1) C(8) C(7) -82.8(4) 1_555 1_555 1_555 1_555 yes
O(1) Rh(1) C(8) C(9) 34.1(4) 1_555 1_555 1_555 1_555 yes
O(1) Rh(1) C(8) C(13) 157.8(4) 1_555 1_555 1_555 1_555 yes
O(1) Rh(1) C(9) C(8) -165.1(2) 1_555 1_555 1_555 1_555 yes
O(1) Rh(1) C(9) C(10) -46.5(3) 1_555 1_555 1_555 1_555 yes
O(1) Rh(1) C(9) C(14) 74.7(5) 1_555 1_555 1_555 1_555 yes
O(1) Rh(1) C(10) C(6) -99.5(2) 1_555 1_555 1_555 1_555 yes
O(1) Rh(1) C(10) C(9) 141.8(2) 1_555 1_555 1_555 1_555 yes
O(1) Rh(1) C(10) C(15) 19.0(3) 1_555 1_555 1_555 1_555 yes
O(1) C(2) C(1) N(1) -179.3(3) 1_555 1_555 1_555 1_555 yes
O(1) C(2) C(3) C(4) 178.6(3) 1_555 1_555 1_555 1_555 yes
O(2) Rh(2) S(2) C(21) 24.0(1) 1_555 1_555 1_555 1_555 yes
O(2) Rh(2) S(2) C(21) 178.9(1) 1_555 1_555 2_655 2_655 yes
O(2) Rh(2) C(26) C(27) -158.2(2) 1_555 1_555 1_555 1_555 yes
O(2) Rh(2) C(26) C(30) 86.2(3) 1_555 1_555 1_555 1_555 yes
O(2) Rh(2) C(26) C(31) -40.6(8) 1_555 1_555 1_555 1_555 yes
O(2) Rh(2) C(27) C(26) 31.1(3) 1_555 1_555 1_555 1_555 yes
O(2) Rh(2) C(27) C(28) 149.0(2) 1_555 1_555 1_555 1_555 yes
O(2) Rh(2) C(27) C(32) -90.0(6) 1_555 1_555 1_555 1_555 yes
O(2) Rh(2) C(28) C(27) -82.6(4) 1_555 1_555 1_555 1_555 yes
O(2) Rh(2) C(28) C(29) 35.5(4) 1_555 1_555 1_555 1_555 yes
O(2) Rh(2) C(28) C(33) 158.8(4) 1_555 1_555 1_555 1_555 yes
O(2) Rh(2) C(29) C(28) -165.2(2) 1_555 1_555 1_555 1_555 yes
O(2) Rh(2) C(29) C(30) -46.5(3) 1_555 1_555 1_555 1_555 yes
O(2) Rh(2) C(29) C(34) 75.7(4) 1_555 1_555 1_555 1_555 yes
O(2) Rh(2) C(30) C(26) -99.0(3) 1_555 1_555 1_555 1_555 yes
O(2) Rh(2) C(30) C(29) 142.4(3) 1_555 1_555 1_555 1_555 yes
O(2) Rh(2) C(30) C(35) 21.7(7) 1_555 1_555 1_555 1_555 yes
O(2) C(22) C(21) N(2) -177.0(3) 1_555 1_555 1_555 1_555 yes
O(2) C(22) C(23) C(24) 178.7(3) 1_555 1_555 1_555 1_555 yes
N(1) C(1) C(2) C(3) 0.2(5) 1_555 1_555 1_555 1_555 yes
N(1) C(5) C(4) C(3) 0.8(6) 1_555 1_555 1_555 1_555 yes
N(2) C(21) C(22) C(23) 3.7(5) 1_555 1_555 1_555 1_555 yes
N(2) C(25) C(24) C(23) 1.6(6) 1_555 1_555 1_555 1_555 yes
C(1) S(1) Rh(1) C(6) -73.4(1) 1_555 1_555 1_555 1_555 yes
C(1) S(1) Rh(1) C(7) -109.9(1) 1_555 1_555 1_555 1_555 yes
C(1) S(1) Rh(1) C(8) -144.4(1) 1_555 1_555 1_555 1_555 yes
C(1) S(1) Rh(1) C(9) -144.7(2) 1_555 1_555 1_555 1_555 yes
C(1) S(1) Rh(1) C(10) -61.1(2) 1_555 1_555 1_555 1_555 yes
C(1) S(1) Rh(1) C(6) 80.0(4) 1_555 1_555 2_566 2_566 yes
C(1) S(1) Rh(1) C(7) -5.1(2) 1_555 1_555 2_566 2_566 yes
C(1) S(1) Rh(1) C(8) 19.7(2) 1_555 1_555 2_566 2_566 yes
C(1) S(1) Rh(1) C(9) 59.0(2) 1_555 1_555 2_566 2_566 yes
C(1) S(1) Rh(1) C(10) 90.8(2) 1_555 1_555 2_566 2_566 yes
C(1) N(1) C(5) C(4) -1.6(5) 1_555 1_555 1_555 1_555 yes
C(1) C(2) C(3) C(4) -1.0(5) 1_555 1_555 1_555 1_555 yes
C(2) O(1) Rh(1) C(6) 81.1(2) 1_555 1_555 1_555 1_555 yes
C(2) O(1) Rh(1) C(7) 63.3(3) 1_555 1_555 1_555 1_555 yes
C(2) O(1) Rh(1) C(8) 122.1(3) 1_555 1_555 1_555 1_555 yes
C(2) O(1) Rh(1) C(9) 146.2(2) 1_555 1_555 1_555 1_555 yes
C(2) O(1) Rh(1) C(10) 119.9(2) 1_555 1_555 1_555 1_555 yes
C(2) C(1) N(1) C(5) 1.1(5) 1_555 1_555 1_555 1_555 yes
C(2) C(3) C(4) C(5) 0.5(6) 1_555 1_555 1_555 1_555 yes
C(6) Rh(1) C(7) C(8) 118.4(3) 1_555 1_555 1_555 1_555 yes
C(6) Rh(1) C(7) C(12) -121.4(4) 1_555 1_555 1_555 1_555 yes
C(6) Rh(1) C(8) C(7) -36.9(2) 1_555 1_555 1_555 1_555 yes
C(6) Rh(1) C(8) C(9) 80.0(2) 1_555 1_555 1_555 1_555 yes
C(6) Rh(1) C(8) C(13) -156.3(5) 1_555 1_555 1_555 1_555 yes
C(6) Rh(1) C(9) C(8) -81.0(2) 1_555 1_555 1_555 1_555 yes
C(6) Rh(1) C(9) C(10) 37.6(2) 1_555 1_555 1_555 1_555 yes
C(6) Rh(1) C(9) C(14) 158.8(5) 1_555 1_555 1_555 1_555 yes
C(6) Rh(1) C(10) C(9) -118.7(3) 1_555 1_555 1_555 1_555 yes
C(6) Rh(1) C(10) C(15) 118.5(4) 1_555 1_555 1_555 1_555 yes
C(6) C(7) Rh(1) C(8) -118.4(3) 1_555 1_555 1_555 1_555 yes
C(6) C(7) Rh(1) C(9) -80.6(2) 1_555 1_555 1_555 1_555 yes
C(6) C(7) Rh(1) C(10) -38.7(2) 1_555 1_555 1_555 1_555 yes
C(6) C(7) C(8) C(9) -2.5(4) 1_555 1_555 1_555 1_555 yes
C(6) C(7) C(8) C(13) -174.8(3) 1_555 1_555 1_555 1_555 yes
C(6) C(10) Rh(1) C(7) 37.8(2) 1_555 1_555 1_555 1_555 yes
C(6) C(10) Rh(1) C(8) 81.5(2) 1_555 1_555 1_555 1_555 yes
C(6) C(10) Rh(1) C(9) 118.7(3) 1_555 1_555 1_555 1_555 yes
C(6) C(10) C(9) C(8) -0.1(4) 1_555 1_555 1_555 1_555 yes
C(6) C(10) C(9) C(14) 177.8(3) 1_555 1_555 1_555 1_555 yes
C(7) Rh(1) C(6) C(10) -116.6(3) 1_555 1_555 1_555 1_555 yes
C(7) Rh(1) C(6) C(11) 122.5(4) 1_555 1_555 1_555 1_555 yes
C(7) Rh(1) C(8) C(9) 116.9(3) 1_555 1_555 1_555 1_555 yes
C(7) Rh(1) C(8) C(13) -119.4(6) 1_555 1_555 1_555 1_555 yes
C(7) Rh(1) C(9) C(8) -38.5(2) 1_555 1_555 1_555 1_555 yes
C(7) Rh(1) C(9) C(10) 80.1(2) 1_555 1_555 1_555 1_555 yes
C(7) Rh(1) C(9) C(14) -158.8(5) 1_555 1_555 1_555 1_555 yes
C(7) Rh(1) C(10) C(9) -80.9(2) 1_555 1_555 1_555 1_555 yes
C(7) Rh(1) C(10) C(15) 156.4(4) 1_555 1_555 1_555 1_555 yes
C(7) C(6) Rh(1) C(8) 37.8(2) 1_555 1_555 1_555 1_555 yes
C(7) C(6) Rh(1) C(9) 80.3(2) 1_555 1_555 1_555 1_555 yes
C(7) C(6) Rh(1) C(10) 116.6(3) 1_555 1_555 1_555 1_555 yes
C(7) C(6) C(10) C(9) -1.5(4) 1_555 1_555 1_555 1_555 yes
C(7) C(6) C(10) C(15) -179.7(3) 1_555 1_555 1_555 1_555 yes
C(7) C(8) Rh(1) C(9) -116.9(3) 1_555 1_555 1_555 1_555 yes
C(7) C(8) Rh(1) C(10) -80.3(2) 1_555 1_555 1_555 1_555 yes
C(7) C(8) C(9) C(10) 1.5(4) 1_555 1_555 1_555 1_555 yes
C(7) C(8) C(9) C(14) -176.3(3) 1_555 1_555 1_555 1_555 yes
C(8) Rh(1) C(6) C(10) -78.9(2) 1_555 1_555 1_555 1_555 yes
C(8) Rh(1) C(6) C(11) 160.3(4) 1_555 1_555 1_555 1_555 yes
C(8) Rh(1) C(7) C(12) 120.2(5) 1_555 1_555 1_555 1_555 yes
C(8) Rh(1) C(9) C(10) 118.6(3) 1_555 1_555 1_555 1_555 yes
C(8) Rh(1) C(9) C(14) -120.2(5) 1_555 1_555 1_555 1_555 yes
C(8) Rh(1) C(10) C(9) -37.3(2) 1_555 1_555 1_555 1_555 yes
C(8) Rh(1) C(10) C(15) -160.0(4) 1_555 1_555 1_555 1_555 yes
C(8) C(7) Rh(1) C(9) 37.8(2) 1_555 1_555 1_555 1_555 yes
C(8) C(7) Rh(1) C(10) 79.7(2) 1_555 1_555 1_555 1_555 yes
C(8) C(7) C(6) C(10) 2.4(3) 1_555 1_555 1_555 1_555 yes
C(8) C(7) C(6) C(11) -179.0(3) 1_555 1_555 1_555 1_555 yes
C(8) C(9) Rh(1) C(10) -118.6(3) 1_555 1_555 1_555 1_555 yes
C(8) C(9) C(10) C(15) 178.1(3) 1_555 1_555 1_555 1_555 yes
C(9) Rh(1) C(6) C(10) -36.4(2) 1_555 1_555 1_555 1_555 yes
C(9) Rh(1) C(6) C(11) -157.2(4) 1_555 1_555 1_555 1_555 yes
C(9) Rh(1) C(7) C(12) 158.0(4) 1_555 1_555 1_555 1_555 yes
C(9) Rh(1) C(8) C(13) 123.7(5) 1_555 1_555 1_555 1_555 yes
C(9) Rh(1) C(10) C(15) -122.7(4) 1_555 1_555 1_555 1_555 yes
C(9) C(8) Rh(1) C(10) 36.6(2) 1_555 1_555 1_555 1_555 yes
C(9) C(8) C(7) C(12) 177.0(3) 1_555 1_555 1_555 1_555 yes
C(9) C(10) C(6) C(11) 179.9(3) 1_555 1_555 1_555 1_555 yes
C(10) Rh(1) C(6) C(11) -120.8(4) 1_555 1_555 1_555 1_555 yes
C(10) Rh(1) C(7) C(12) -160.1(4) 1_555 1_555 1_555 1_555 yes
C(10) Rh(1) C(8) C(13) 160.3(5) 1_555 1_555 1_555 1_555 yes
C(10) Rh(1) C(9) C(14) 121.2(6) 1_555 1_555 1_555 1_555 yes
C(10) C(6) C(7) C(12) -177.0(3) 1_555 1_555 1_555 1_555 yes
C(10) C(9) C(8) C(13) 173.6(3) 1_555 1_555 1_555 1_555 yes
C(11) C(6) C(7) C(12) 1.6(5) 1_555 1_555 1_555 1_555 yes
C(11) C(6) C(10) C(15) 1.7(5) 1_555 1_555 1_555 1_555 yes
C(12) C(7) C(8) C(13) 4.7(5) 1_555 1_555 1_555 1_555 yes
C(13) C(8) C(9) C(14) -4.2(6) 1_555 1_555 1_555 1_555 yes
C(14) C(9) C(10) C(15) -4.1(6) 1_555 1_555 1_555 1_555 yes
C(21) S(2) Rh(2) C(26) -73.4(2) 1_555 1_555 1_555 1_555 yes
C(21) S(2) Rh(2) C(27) -110.6(2) 1_555 1_555 1_555 1_555 yes
C(21) S(2) Rh(2) C(28) -143.8(1) 1_555 1_555 1_555 1_555 yes
C(21) S(2) Rh(2) C(29) -145.1(3) 1_555 1_555 1_555 1_555 yes
C(21) S(2) Rh(2) C(30) -63.0(3) 1_555 1_555 1_555 1_555 yes
C(21) S(2) Rh(2) C(26) 79.2(7) 1_555 1_555 2_655 2_655 yes
C(21) S(2) Rh(2) C(27) -3.8(2) 1_555 1_555 2_655 2_655 yes
C(21) S(2) Rh(2) C(28) 19.5(2) 1_555 1_555 2_655 2_655 yes
C(21) S(2) Rh(2) C(29) 58.6(2) 1_555 1_555 2_655 2_655 yes
C(21) S(2) Rh(2) C(30) 89.7(2) 1_555 1_555 2_655 2_655 yes
C(21) N(2) C(25) C(24) -0.1(5) 1_555 1_555 1_555 1_555 yes
C(21) C(22) C(23) C(24) -2.0(5) 1_555 1_555 1_555 1_555 yes
C(22) O(2) Rh(2) C(26) 79.7(3) 1_555 1_555 1_555 1_555 yes
C(22) O(2) Rh(2) C(27) 60.4(3) 1_555 1_555 1_555 1_555 yes
C(22) O(2) Rh(2) C(28) 119.6(3) 1_555 1_555 1_555 1_555 yes
C(22) O(2) Rh(2) C(29) 144.9(2) 1_555 1_555 1_555 1_555 yes
C(22) O(2) Rh(2) C(30) 118.9(3) 1_555 1_555 1_555 1_555 yes
C(22) C(21) N(2) C(25) -2.7(5) 1_555 1_555 1_555 1_555 yes
C(22) C(23) C(24) C(25) -0.5(6) 1_555 1_555 1_555 1_555 yes
C(26) Rh(2) C(27) C(28) 118.0(4) 1_555 1_555 1_555 1_555 yes
C(26) Rh(2) C(27) C(32) -121.1(7) 1_555 1_555 1_555 1_555 yes
C(26) Rh(2) C(28) C(27) -38.1(3) 1_555 1_555 1_555 1_555 yes
C(26) Rh(2) C(28) C(29) 80.0(3) 1_555 1_555 1_555 1_555 yes
C(26) Rh(2) C(28) C(33) -156.7(5) 1_555 1_555 1_555 1_555 yes
C(26) Rh(2) C(29) C(28) -80.7(3) 1_555 1_555 1_555 1_555 yes
C(26) Rh(2) C(29) C(30) 38.0(3) 1_555 1_555 1_555 1_555 yes
C(26) Rh(2) C(29) C(34) 160.2(5) 1_555 1_555 1_555 1_555 yes
C(26) Rh(2) C(30) C(29) -118.6(4) 1_555 1_555 1_555 1_555 yes
C(26) Rh(2) C(30) C(35) 120.7(8) 1_555 1_555 1_555 1_555 yes
C(26) C(27) Rh(2) C(28) -118.0(4) 1_555 1_555 1_555 1_555 yes
C(26) C(27) Rh(2) C(29) -80.5(3) 1_555 1_555 1_555 1_555 yes
C(26) C(27) Rh(2) C(30) -39.1(3) 1_555 1_555 1_555 1_555 yes
C(26) C(27) C(28) C(29) -3.3(4) 1_555 1_555 1_555 1_555 yes
C(26) C(27) C(28) C(33) -175.4(3) 1_555 1_555 1_555 1_555 yes
C(26) C(30) Rh(2) C(27) 39.0(3) 1_555 1_555 1_555 1_555 yes
C(26) C(30) Rh(2) C(28) 81.3(3) 1_555 1_555 1_555 1_555 yes
C(26) C(30) Rh(2) C(29) 118.6(4) 1_555 1_555 1_555 1_555 yes
C(26) C(30) C(29) C(28) -0.9(4) 1_555 1_555 1_555 1_555 yes
C(26) C(30) C(29) C(34) 178.0(4) 1_555 1_555 1_555 1_555 yes
C(27) Rh(2) C(26) C(30) -115.6(4) 1_555 1_555 1_555 1_555 yes
C(27) Rh(2) C(26) C(31) 117.7(9) 1_555 1_555 1_555 1_555 yes
C(27) Rh(2) C(28) C(29) 118.1(3) 1_555 1_555 1_555 1_555 yes
C(27) Rh(2) C(28) C(33) -118.6(5) 1_555 1_555 1_555 1_555 yes
C(27) Rh(2) C(29) C(28) -37.1(2) 1_555 1_555 1_555 1_555 yes
C(27) Rh(2) C(29) C(30) 81.7(3) 1_555 1_555 1_555 1_555 yes
C(27) Rh(2) C(29) C(34) -156.2(5) 1_555 1_555 1_555 1_555 yes
C(27) Rh(2) C(30) C(29) -79.6(3) 1_555 1_555 1_555 1_555 yes
C(27) Rh(2) C(30) C(35) 159.7(8) 1_555 1_555 1_555 1_555 yes
C(27) C(26) Rh(2) C(28) 36.9(2) 1_555 1_555 1_555 1_555 yes
C(27) C(26) Rh(2) C(29) 79.5(3) 1_555 1_555 1_555 1_555 yes
C(27) C(26) Rh(2) C(30) 115.6(4) 1_555 1_555 1_555 1_555 yes
C(27) C(26) C(30) C(29) -1.1(4) 1_555 1_555 1_555 1_555 yes
C(27) C(26) C(30) C(35) -179.7(4) 1_555 1_555 1_555 1_555 yes
C(27) C(28) Rh(2) C(29) -118.1(3) 1_555 1_555 1_555 1_555 yes
C(27) C(28) Rh(2) C(30) -81.9(3) 1_555 1_555 1_555 1_555 yes
C(27) C(28) C(29) C(30) 2.6(4) 1_555 1_555 1_555 1_555 yes
C(27) C(28) C(29) C(34) -176.3(3) 1_555 1_555 1_555 1_555 yes
C(28) Rh(2) C(26) C(30) -78.7(3) 1_555 1_555 1_555 1_555 yes
C(28) Rh(2) C(26) C(31) 154.6(9) 1_555 1_555 1_555 1_555 yes
C(28) Rh(2) C(27) C(32) 121.0(7) 1_555 1_555 1_555 1_555 yes
C(28) Rh(2) C(29) C(30) 118.8(4) 1_555 1_555 1_555 1_555 yes
C(28) Rh(2) C(29) C(34) -119.1(5) 1_555 1_555 1_555 1_555 yes
C(28) Rh(2) C(30) C(29) -37.3(2) 1_555 1_555 1_555 1_555 yes
C(28) Rh(2) C(30) C(35) -158.1(7) 1_555 1_555 1_555 1_555 yes
C(28) C(27) Rh(2) C(29) 37.5(2) 1_555 1_555 1_555 1_555 yes
C(28) C(27) Rh(2) C(30) 78.9(3) 1_555 1_555 1_555 1_555 yes
C(28) C(27) C(26) C(30) 2.7(4) 1_555 1_555 1_555 1_555 yes
C(28) C(27) C(26) C(31) -179.6(4) 1_555 1_555 1_555 1_555 yes
C(28) C(29) Rh(2) C(30) -118.8(4) 1_555 1_555 1_555 1_555 yes
C(28) C(29) C(30) C(35) 177.8(4) 1_555 1_555 1_555 1_555 yes
C(29) Rh(2) C(26) C(30) -36.1(3) 1_555 1_555 1_555 1_555 yes
C(29) Rh(2) C(26) C(31) -162.8(9) 1_555 1_555 1_555 1_555 yes
C(29) Rh(2) C(27) C(32) 158.4(6) 1_555 1_555 1_555 1_555 yes
C(29) Rh(2) C(28) C(33) 123.3(5) 1_555 1_555 1_555 1_555 yes
C(29) Rh(2) C(30) C(35) -120.8(8) 1_555 1_555 1_555 1_555 yes
C(29) C(28) Rh(2) C(30) 36.2(3) 1_555 1_555 1_555 1_555 yes
C(29) C(28) C(27) C(32) 176.6(4) 1_555 1_555 1_555 1_555 yes
C(29) C(30) C(26) C(31) -178.6(4) 1_555 1_555 1_555 1_555 yes
C(30) Rh(2) C(26) C(31) -126.7(9) 1_555 1_555 1_555 1_555 yes
C(30) Rh(2) C(27) C(32) -160.2(6) 1_555 1_555 1_555 1_555 yes
C(30) Rh(2) C(28) C(33) 159.5(5) 1_555 1_555 1_555 1_555 yes
C(30) Rh(2) C(29) C(34) 122.1(5) 1_555 1_555 1_555 1_555 yes
C(30) C(26) C(27) C(32) -177.2(4) 1_555 1_555 1_555 1_555 yes
C(30) C(29) C(28) C(33) 174.4(3) 1_555 1_555 1_555 1_555 yes
C(31) C(26) C(27) C(32) 0.5(7) 1_555 1_555 1_555 1_555 yes
C(31) C(26) C(30) C(35) 2.8(7) 1_555 1_555 1_555 1_555 yes
C(32) C(27) C(28) C(33) 4.5(6) 1_555 1_555 1_555 1_555 yes
C(33) C(28) C(29) C(34) -4.6(6) 1_555 1_555 1_555 1_555 yes
C(34) C(29) C(30) C(35) -3.3(6) 1_555 1_555 1_555 1_555 yes
