#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/11/4331113.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_4331113
loop_
_publ_author_name
'Géza Szigethy'
'David W. Shaffer'
'Alan F. Heyduk'
_publ_section_title
;
 Coordination Effects on Electron Distributions for Rhodium Complexes of
 the Redox-Active Bis(3,5-di-tert-butyl-2-phenolate)amide Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              12606
_journal_page_last               12618
_journal_paper_doi               10.1021/ic2026076
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety
'2(C43 H55 N4 O2 Rh), 4(C4 H8 O), 0.5(C5 H12)'
_chemical_formula_sum            'C104.5 H148 N8 O8 Rh2'
_chemical_formula_weight         1850.13
_chemical_name_common            (ONO)Rh(py)3
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.4517(10)
_cell_length_b                   28.7074(12)
_cell_length_c                   31.8954(14)
_cell_measurement_reflns_used    9124
_cell_measurement_temperature    83(2)
_cell_measurement_theta_max      24.10
_cell_measurement_theta_min      2.24
_cell_volume                     20557.5(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-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      83(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0931
_diffrn_reflns_av_sigmaI/netI    0.0461
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            217984
_diffrn_reflns_theta_full        26.40
_diffrn_reflns_theta_max         26.40
_diffrn_reflns_theta_min         1.57
_exptl_absorpt_coefficient_mu    0.377
_exptl_absorpt_correction_T_max  0.9683
_exptl_absorpt_correction_T_min  0.9166
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.196
_exptl_crystal_density_meas      ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             7880
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.099
_refine_diff_density_min         -0.767
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1102
_refine_ls_number_reflns         21056
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0789
_refine_ls_R_factor_gt           0.0475
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0566P)²+40.0984P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1140
_refine_ls_wR_factor_ref         0.1322
_reflns_number_gt                15194
_reflns_number_total             21056
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2026076_si_001_1.cif
_cod_data_source_block           afh281
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_formula_sum        'C104.50 H148 N8 O8 Rh2'
_cod_database_code               4331113
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.818856(11) 0.183212(8) 0.587207(8) 0.01543(7) Uani 1 1 d . . .
Rh2 Rh 0.458838(12) 0.191366(9) 0.657874(8) 0.01759(7) Uani 1 1 d . . .
O1 O 0.77484(10) 0.12369(8) 0.57455(7) 0.0189(5) Uani 1 1 d . . .
O2 O 0.85288(10) 0.24830(7) 0.59042(7) 0.0178(5) Uani 1 1 d . . .
O3 O 0.45406(10) 0.13064(8) 0.62642(7) 0.0210(5) Uani 1 1 d . . .
O4 O 0.47553(11) 0.24541(8) 0.69641(7) 0.0220(5) Uani 1 1 d . . .
O5 O 0.2844(3) -0.1489(2) 0.76369(19) 0.136(2) Uani 1 1 d . . .
O6 O 0.8444(3) 0.0784(2) 0.39834(19) 0.130(2) Uani 1 1 d . . .
O7 O 0.3574(4) 0.0082(3) 0.7466(3) 0.195(4) Uani 1 1 d . . .
N1 N 0.77237(12) 0.20847(9) 0.54130(8) 0.0169(6) Uani 1 1 d . . .
N2 N 0.86878(13) 0.15567(10) 0.63604(9) 0.0203(6) Uani 1 1 d . . .
N3 N 0.88565(13) 0.16607(10) 0.54558(9) 0.0215(6) Uani 1 1 d . . .
N4 N 0.75304(12) 0.20106(10) 0.62933(8) 0.0182(6) Uani 1 1 d . . .
N5 N 0.51057(13) 0.15690(10) 0.69548(8) 0.0197(6) Uani 1 1 d . . .
N6 N 0.40533(13) 0.22795(10) 0.61619(9) 0.0220(6) Uani 1 1 d . . .
N7 N 0.38651(13) 0.17239(11) 0.69423(9) 0.0256(7) Uani 1 1 d . . .
N8 N 0.52917(13) 0.21133(10) 0.62173(9) 0.0206(6) Uani 1 1 d . . .
C1 C 0.73788(14) 0.17531(11) 0.52118(10) 0.0157(6) Uani 1 1 d . . .
C2 C 0.73914(15) 0.13006(11) 0.54072(10) 0.0169(7) Uani 1 1 d . . .
C3 C 0.70455(15) 0.09385(11) 0.52418(10) 0.0177(7) Uani 1 1 d . . .
C4 C 0.67080(14) 0.10261(11) 0.48796(10) 0.0194(7) Uani 1 1 d . . .
H4A H 0.6464 0.0784 0.4772 0.023 Uiso 1 1 calc R . .
C5 C 0.67144(15) 0.14503(11) 0.46716(10) 0.0185(7) Uani 1 1 d . . .
C6 C 0.70578(15) 0.18108(11) 0.48385(10) 0.0173(7) Uani 1 1 d . . .
H6A H 0.7074 0.2101 0.4696 0.021 Uiso 1 1 calc R . .
C7 C 0.70430(16) 0.04531(12) 0.54492(11) 0.0230(8) Uani 1 1 d . . .
C8 C 0.76757(17) 0.02520(12) 0.54522(13) 0.0314(9) Uani 1 1 d . . .
H8A H 0.7940 0.0461 0.5609 0.047 Uiso 1 1 calc R . .
H8B H 0.7820 0.0222 0.5163 0.047 Uiso 1 1 calc R . .
H8C H 0.7672 -0.0055 0.5586 0.047 Uiso 1 1 calc R . .
C9 C 0.66454(17) 0.01102(12) 0.52101(12) 0.0266(8) Uani 1 1 d . . .
H9A H 0.6236 0.0228 0.5205 0.040 Uiso 1 1 calc R . .
H9B H 0.6654 -0.0194 0.5350 0.040 Uiso 1 1 calc R . .
H9C H 0.6792 0.0077 0.4922 0.040 Uiso 1 1 calc R . .
C10 C 0.6808(2) 0.04854(13) 0.58994(12) 0.0330(9) Uani 1 1 d . . .
H10A H 0.6404 0.0615 0.5897 0.049 Uiso 1 1 calc R . .
H10B H 0.7069 0.0688 0.6065 0.049 Uiso 1 1 calc R . .
H10C H 0.6800 0.0174 0.6025 0.049 Uiso 1 1 calc R . .
C11 C 0.63788(17) 0.15433(12) 0.42605(12) 0.0258(8) Uani 1 1 d . . .
C12 C 0.5987(2) 0.19780(13) 0.43087(15) 0.0417(11) Uani 1 1 d . . .
H12A H 0.5697 0.1927 0.4533 0.063 Uiso 1 1 calc R . .
H12B H 0.5777 0.2038 0.4045 0.063 Uiso 1 1 calc R . .
H12C H 0.6238 0.2246 0.4378 0.063 Uiso 1 1 calc R . .
C13 C 0.6829(2) 0.16208(16) 0.39064(12) 0.0427(11) Uani 1 1 d . . .
H13A H 0.6616 0.1679 0.3643 0.064 Uiso 1 1 calc R . .
H13B H 0.7079 0.1343 0.3876 0.064 Uiso 1 1 calc R . .
H13C H 0.7080 0.1890 0.3973 0.064 Uiso 1 1 calc R . .
C14 C 0.59747(18) 0.11337(12) 0.41367(12) 0.0298(9) Uani 1 1 d . . .
H14A H 0.5681 0.1080 0.4359 0.045 Uiso 1 1 calc R . .
H14B H 0.6217 0.0853 0.4099 0.045 Uiso 1 1 calc R . .
H14C H 0.5769 0.1207 0.3874 0.045 Uiso 1 1 calc R . .
C15 C 0.77823(15) 0.25643(11) 0.53678(10) 0.0173(7) Uani 1 1 d . . .
C16 C 0.82329(15) 0.27639(11) 0.56299(10) 0.0172(7) Uani 1 1 d . . .
C17 C 0.83531(15) 0.32441(11) 0.56076(10) 0.0194(7) Uani 1 1 d . . .
C18 C 0.80124(16) 0.35160(12) 0.53325(11) 0.0235(8) Uani 1 1 d . . .
H18A H 0.8096 0.3840 0.5314 0.028 Uiso 1 1 calc R . .
C19 C 0.75585(17) 0.33347(12) 0.50862(11) 0.0238(8) Uani 1 1 d . . .
C20 C 0.74510(15) 0.28552(11) 0.51075(10) 0.0198(7) Uani 1 1 d . . .
H20A H 0.7144 0.2725 0.4940 0.024 Uiso 1 1 calc R . .
C21 C 0.88424(16) 0.34626(12) 0.58817(11) 0.0237(8) Uani 1 1 d . . .
C22 C 0.86776(19) 0.34109(13) 0.63489(11) 0.0297(9) Uani 1 1 d . . .
H22A H 0.8623 0.3080 0.6416 0.045 Uiso 1 1 calc R . .
H22B H 0.8307 0.3580 0.6405 0.045 Uiso 1 1 calc R . .
H22C H 0.8998 0.3539 0.6522 0.045 Uiso 1 1 calc R . .
C23 C 0.89159(18) 0.39854(12) 0.57939(12) 0.0296(9) Uani 1 1 d . . .
H23A H 0.9024 0.4032 0.5499 0.044 Uiso 1 1 calc R . .
H23B H 0.9231 0.4112 0.5974 0.044 Uiso 1 1 calc R . .
H23C H 0.8540 0.4146 0.5853 0.044 Uiso 1 1 calc R . .
C24 C 0.94438(17) 0.32309(14) 0.57973(14) 0.0340(9) Uani 1 1 d . . .
H24A H 0.9410 0.2894 0.5843 0.051 Uiso 1 1 calc R . .
H24B H 0.9744 0.3360 0.5988 0.051 Uiso 1 1 calc R . .
H24C H 0.9564 0.3290 0.5507 0.051 Uiso 1 1 calc R . .
C25 C 0.71941(19) 0.36323(12) 0.47796(13) 0.0333(10) Uani 1 1 d . . .
C26 C 0.7280(3) 0.41529(14) 0.48601(18) 0.0687(19) Uani 1 1 d . . .
H26A H 0.7148 0.4228 0.5145 0.103 Uiso 1 1 calc R . .
H26B H 0.7045 0.4332 0.4658 0.103 Uiso 1 1 calc R . .
H26C H 0.7702 0.4233 0.4829 0.103 Uiso 1 1 calc R . .
C27 C 0.6527(2) 0.35227(15) 0.48211(15) 0.0439(11) Uani 1 1 d . . .
H27A H 0.6461 0.3190 0.4770 0.066 Uiso 1 1 calc R . .
H27B H 0.6303 0.3706 0.4616 0.066 Uiso 1 1 calc R . .
H27C H 0.6392 0.3602 0.5104 0.066 Uiso 1 1 calc R . .
C28 C 0.7401(2) 0.35263(17) 0.43348(14) 0.0527(13) Uani 1 1 d . . .
H28A H 0.7347 0.3194 0.4276 0.079 Uiso 1 1 calc R . .
H28B H 0.7824 0.3607 0.4307 0.079 Uiso 1 1 calc R . .
H28C H 0.7167 0.3710 0.4135 0.079 Uiso 1 1 calc R . .
C29 C 0.90646(16) 0.18284(12) 0.65734(11) 0.0258(8) Uani 1 1 d . . .
H29A H 0.9093 0.2148 0.6499 0.031 Uiso 1 1 calc R . .
C30 C 0.94140(18) 0.16639(14) 0.68967(12) 0.0328(9) Uani 1 1 d . . .
H30A H 0.9685 0.1865 0.7037 0.039 Uiso 1 1 calc R . .
C31 C 0.93651(18) 0.12005(14) 0.70148(13) 0.0348(9) Uani 1 1 d . . .
H31A H 0.9594 0.1079 0.7240 0.042 Uiso 1 1 calc R . .
C32 C 0.8973(2) 0.09193(14) 0.67950(14) 0.0428(11) Uani 1 1 d . . .
H32A H 0.8932 0.0600 0.6867 0.051 Uiso 1 1 calc R . .
C33 C 0.86452(18) 0.11058(13) 0.64722(13) 0.0329(9) Uani 1 1 d . . .
H33A H 0.8379 0.0910 0.6323 0.039 Uiso 1 1 calc R . .
C34 C 0.93698(18) 0.19009(14) 0.54579(14) 0.0363(10) Uani 1 1 d . . .
H34A H 0.9417 0.2144 0.5657 0.044 Uiso 1 1 calc R . .
C35 C 0.9833(2) 0.18099(16) 0.51834(16) 0.0486(12) Uani 1 1 d . . .
H35A H 1.0192 0.1984 0.5198 0.058 Uiso 1 1 calc R . .
C36 C 0.9765(2) 0.14642(16) 0.48890(15) 0.0446(11) Uani 1 1 d . . .
H36A H 1.0073 0.1398 0.4694 0.053 Uiso 1 1 calc R . .
C37 C 0.92411(19) 0.12172(16) 0.48841(14) 0.0421(11) Uani 1 1 d . . .
H37A H 0.9182 0.0976 0.4684 0.050 Uiso 1 1 calc R . .
C38 C 0.88007(18) 0.13212(13) 0.51715(12) 0.0315(9) Uani 1 1 d . . .
H38A H 0.8443 0.1144 0.5167 0.038 Uiso 1 1 calc R . .
C39 C 0.74519(17) 0.24499(12) 0.64220(11) 0.0260(8) Uani 1 1 d . . .
H39A H 0.7699 0.2687 0.6308 0.031 Uiso 1 1 calc R . .
C40 C 0.70248(18) 0.25722(14) 0.67143(12) 0.0315(9) Uani 1 1 d . . .
H40A H 0.6987 0.2887 0.6801 0.038 Uiso 1 1 calc R . .
C41 C 0.66558(17) 0.22370(14) 0.68780(11) 0.0280(8) Uani 1 1 d . . .
H41A H 0.6360 0.2314 0.7079 0.034 Uiso 1 1 calc R . .
C42 C 0.67271(17) 0.17854(14) 0.67414(11) 0.0297(9) Uani 1 1 d . . .
H42A H 0.6476 0.1545 0.6845 0.036 Uiso 1 1 calc R . .
C43 C 0.71671(17) 0.16841(13) 0.64521(11) 0.0269(8) Uani 1 1 d . . .
H43A H 0.7214 0.1371 0.6362 0.032 Uiso 1 1 calc R . .
C44 C 0.52012(15) 0.11091(11) 0.68323(10) 0.0198(7) Uani 1 1 d . . .
C45 C 0.49016(15) 0.09862(12) 0.64506(10) 0.0191(7) Uani 1 1 d . . .
C46 C 0.49946(16) 0.05488(12) 0.62693(11) 0.0223(7) Uani 1 1 d . . .
C47 C 0.53573(16) 0.02277(12) 0.64826(11) 0.0235(8) Uani 1 1 d . . .
H47A H 0.5417 -0.0072 0.6363 0.028 Uiso 1 1 calc R . .
C48 C 0.56319(18) 0.03317(12) 0.68617(11) 0.0270(8) Uani 1 1 d . . .
C49 C 0.55497(16) 0.07752(12) 0.70317(11) 0.0248(8) Uani 1 1 d . . .
H49A H 0.5736 0.0851 0.7290 0.030 Uiso 1 1 calc R . .
C50 C 0.47010(16) 0.04244(12) 0.58462(11) 0.0251(8) Uani 1 1 d . . .
C51 C 0.48781(18) -0.00684(12) 0.56985(12) 0.0294(8) Uani 1 1 d . . .
H51A H 0.5312 -0.0088 0.5673 0.044 Uiso 1 1 calc R . .
H51B H 0.4695 -0.0132 0.5425 0.044 Uiso 1 1 calc R . .
H51C H 0.4739 -0.0299 0.5903 0.044 Uiso 1 1 calc R . .
C52 C 0.49016(19) 0.07667(13) 0.55020(11) 0.0310(9) Uani 1 1 d . . .
H52A H 0.5337 0.0763 0.5481 0.046 Uiso 1 1 calc R . .
H52B H 0.4767 0.1082 0.5573 0.046 Uiso 1 1 calc R . .
H52C H 0.4729 0.0673 0.5233 0.046 Uiso 1 1 calc R . .
C53 C 0.40173(18) 0.04360(16) 0.58862(15) 0.0419(11) Uani 1 1 d . . .
H53A H 0.3891 0.0217 0.6105 0.063 Uiso 1 1 calc R . .
H53B H 0.3837 0.0347 0.5618 0.063 Uiso 1 1 calc R . .
H53C H 0.3889 0.0751 0.5961 0.063 Uiso 1 1 calc R . .
C54 C 0.6030(2) -0.00144(14) 0.71032(13) 0.0426(12) Uani 1 1 d . . .
C55 C 0.5766(3) -0.01040(18) 0.75374(15) 0.077(2) Uani 1 1 d . . .
H55A H 0.5716 0.0193 0.7685 0.115 Uiso 1 1 calc R . .
H55B H 0.6034 -0.0306 0.7698 0.115 Uiso 1 1 calc R . .
H55C H 0.5378 -0.0257 0.7508 0.115 Uiso 1 1 calc R . .
C56 C 0.6085(3) -0.04796(14) 0.68754(15) 0.0523(14) Uani 1 1 d . . .
H56A H 0.5690 -0.0621 0.6846 0.078 Uiso 1 1 calc R . .
H56B H 0.6344 -0.0688 0.7037 0.078 Uiso 1 1 calc R . .
H56C H 0.6258 -0.0429 0.6597 0.078 Uiso 1 1 calc R . .
C57 C 0.6662(2) 0.01926(17) 0.71509(17) 0.0616(16) Uani 1 1 d . . .
H57A H 0.6637 0.0493 0.7295 0.092 Uiso 1 1 calc R . .
H57B H 0.6839 0.0237 0.6873 0.092 Uiso 1 1 calc R . .
H57C H 0.6910 -0.0021 0.7315 0.092 Uiso 1 1 calc R . .
C58 C 0.53257(14) 0.18378(12) 0.72796(10) 0.0184(7) Uani 1 1 d . . .
C59 C 0.51250(15) 0.23158(11) 0.72750(10) 0.0184(7) Uani 1 1 d . . .
C60 C 0.53033(15) 0.26191(12) 0.75957(10) 0.0206(7) Uani 1 1 d . . .
C61 C 0.56840(17) 0.24510(13) 0.79090(11) 0.0263(8) Uani 1 1 d . . .
H61A H 0.5809 0.2658 0.8124 0.032 Uiso 1 1 calc R . .
C62 C 0.58879(17) 0.19905(13) 0.79169(11) 0.0261(8) Uani 1 1 d . . .
C63 C 0.57071(15) 0.16924(12) 0.75999(10) 0.0206(7) Uani 1 1 d . . .
H63A H 0.5847 0.1380 0.7600 0.025 Uiso 1 1 calc R . .
C64 C 0.51002(18) 0.31347(12) 0.75971(11) 0.0279(8) Uani 1 1 d . . .
C65 C 0.5308(2) 0.33887(14) 0.79963(13) 0.0398(11) Uani 1 1 d . . .
H65A H 0.5743 0.3374 0.8016 0.060 Uiso 1 1 calc R . .
H65B H 0.5132 0.3239 0.8243 0.060 Uiso 1 1 calc R . .
H65C H 0.5182 0.3715 0.7985 0.060 Uiso 1 1 calc R . .
C66 C 0.5364(2) 0.33839(14) 0.72201(13) 0.0424(11) Uani 1 1 d . . .
H66A H 0.5799 0.3359 0.7228 0.064 Uiso 1 1 calc R . .
H66B H 0.5249 0.3713 0.7227 0.064 Uiso 1 1 calc R . .
H66C H 0.5215 0.3241 0.6962 0.064 Uiso 1 1 calc R . .
C67 C 0.44145(19) 0.31660(14) 0.75896(14) 0.0400(11) Uani 1 1 d . . .
H67A H 0.4263 0.3008 0.7339 0.060 Uiso 1 1 calc R . .
H67B H 0.4293 0.3494 0.7584 0.060 Uiso 1 1 calc R . .
H67C H 0.4252 0.3016 0.7841 0.060 Uiso 1 1 calc R . .
C68 C 0.6283(2) 0.18223(14) 0.82813(13) 0.0354(10) Uani 1 1 d . . .
C69 C 0.6835(2) 0.21300(16) 0.83181(16) 0.0492(12) Uani 1 1 d . . .
H69A H 0.7085 0.2018 0.8549 0.074 Uiso 1 1 calc R . .
H69B H 0.6713 0.2452 0.8373 0.074 Uiso 1 1 calc R . .
H69C H 0.7061 0.2117 0.8056 0.074 Uiso 1 1 calc R . .
C70 C 0.6484(2) 0.13146(15) 0.82236(14) 0.0449(12) Uani 1 1 d . . .
H70A H 0.6736 0.1222 0.8460 0.067 Uiso 1 1 calc R . .
H70B H 0.6710 0.1286 0.7962 0.067 Uiso 1 1 calc R . .
H70C H 0.6133 0.1112 0.8211 0.067 Uiso 1 1 calc R . .
C71 C 0.5918(2) 0.18487(16) 0.86881(12) 0.0472(12) Uani 1 1 d . . .
H71A H 0.6163 0.1743 0.8924 0.071 Uiso 1 1 calc R . .
H71B H 0.5566 0.1649 0.8663 0.071 Uiso 1 1 calc R . .
H71C H 0.5792 0.2171 0.8737 0.071 Uiso 1 1 calc R . .
C72 C 0.38385(17) 0.27060(14) 0.62475(12) 0.0295(8) Uani 1 1 d . . .
H72A H 0.3894 0.2831 0.6520 0.035 Uiso 1 1 calc R . .
C73 C 0.35407(18) 0.29667(14) 0.59526(13) 0.0344(9) Uani 1 1 d . . .
H73A H 0.3397 0.3269 0.6021 0.041 Uiso 1 1 calc R . .
C74 C 0.34524(17) 0.27844(15) 0.55566(12) 0.0332(9) Uani 1 1 d . . .
H74A H 0.3244 0.2957 0.5349 0.040 Uiso 1 1 calc R . .
C75 C 0.36736(18) 0.23483(15) 0.54692(12) 0.0344(9) Uani 1 1 d . . .
H75A H 0.3624 0.2216 0.5198 0.041 Uiso 1 1 calc R . .
C76 C 0.39679(17) 0.21043(14) 0.57794(11) 0.0288(8) Uani 1 1 d . . .
H76A H 0.4115 0.1801 0.5718 0.035 Uiso 1 1 calc R . .
C77 C 0.3617(2) 0.13022(16) 0.69146(15) 0.0465(12) Uani 1 1 d . . .
H77A H 0.3772 0.1089 0.6715 0.056 Uiso 1 1 calc R . .
C78 C 0.3144(2) 0.1162(2) 0.71639(18) 0.0599(14) Uani 1 1 d . . .
H78A H 0.2982 0.0858 0.7135 0.072 Uiso 1 1 calc R . .
C79 C 0.2914(2) 0.14665(19) 0.74520(16) 0.0526(13) Uani 1 1 d . . .
H79A H 0.2583 0.1382 0.7620 0.063 Uiso 1 1 calc R . .
C80 C 0.31679(19) 0.18872(19) 0.74909(14) 0.0464(12) Uani 1 1 d . . .
H80A H 0.3022 0.2102 0.7693 0.056 Uiso 1 1 calc R . .
C81 C 0.36419(19) 0.20070(17) 0.72360(13) 0.0403(10) Uani 1 1 d . . .
H81A H 0.3818 0.2305 0.7271 0.048 Uiso 1 1 calc R . .
C82 C 0.54077(17) 0.25714(13) 0.61728(11) 0.0272(8) Uani 1 1 d . . .
H82A H 0.5179 0.2790 0.6329 0.033 Uiso 1 1 calc R . .
C83 C 0.58475(18) 0.27333(14) 0.59084(13) 0.0350(9) Uani 1 1 d . . .
H83A H 0.5919 0.3058 0.5882 0.042 Uiso 1 1 calc R . .
C84 C 0.61838(18) 0.24176(15) 0.56818(13) 0.0354(9) Uani 1 1 d . . .
H84A H 0.6490 0.2522 0.5499 0.042 Uiso 1 1 calc R . .
C85 C 0.60678(17) 0.19500(14) 0.57249(12) 0.0320(9) Uani 1 1 d . . .
H85A H 0.6289 0.1726 0.5570 0.038 Uiso 1 1 calc R . .
C86 C 0.56211(16) 0.18102(13) 0.59984(11) 0.0259(8) Uani 1 1 d . . .
H86A H 0.5546 0.1487 0.6031 0.031 Uiso 1 1 calc R . .
C87 C 0.2319(6) -0.1263(5) 0.7595(4) 0.186(7) Uani 1 1 d . . .
H87A H 0.2377 -0.0928 0.7655 0.224 Uiso 1 1 calc R . .
H87B H 0.2031 -0.1387 0.7803 0.224 Uiso 1 1 calc R . .
C88 C 0.2071(4) -0.1319(4) 0.7169(5) 0.190(7) Uani 1 1 d . . .
H88A H 0.2240 -0.1088 0.6971 0.228 Uiso 1 1 calc R . .
H88B H 0.1631 -0.1293 0.7168 0.228 Uiso 1 1 calc R . .
C89 C 0.2272(4) -0.1800(4) 0.7071(3) 0.114(3) Uani 1 1 d . . .
H89A H 0.2315 -0.1849 0.6765 0.137 Uiso 1 1 calc R . .
H89B H 0.1995 -0.2036 0.7186 0.137 Uiso 1 1 calc R . .
C90 C 0.2871(5) -0.1811(3) 0.7293(2) 0.126(3) Uani 1 1 d . . .
H90A H 0.2955 -0.2129 0.7397 0.151 Uiso 1 1 calc R . .
H90B H 0.3192 -0.1720 0.7096 0.151 Uiso 1 1 calc R . .
C91 C 0.8548(6) 0.0461(3) 0.3682(3) 0.157(5) Uani 1 1 d . . .
H91A H 0.8953 0.0329 0.3717 0.189 Uiso 1 1 calc R . .
H91B H 0.8525 0.0608 0.3402 0.189 Uiso 1 1 calc R . .
C92 C 0.8076(5) 0.0065(3) 0.3716(3) 0.147(4) Uani 1 1 d . . .
H92A H 0.7892 -0.0002 0.3441 0.177 Uiso 1 1 calc R . .
H92B H 0.8254 -0.0224 0.3830 0.177 Uiso 1 1 calc R . .
C93 C 0.7635(3) 0.0268(3) 0.4014(2) 0.090(2) Uani 1 1 d . . .
H93A H 0.7310 0.0431 0.3863 0.108 Uiso 1 1 calc R . .
H93B H 0.7461 0.0026 0.4198 0.108 Uiso 1 1 calc R . .
C94 C 0.8012(3) 0.0600(3) 0.4254(2) 0.088(2) Uani 1 1 d . . .
H94A H 0.7763 0.0854 0.4370 0.106 Uiso 1 1 calc R . .
H94B H 0.8207 0.0437 0.4491 0.106 Uiso 1 1 calc R . .
C95 C 0.3211(6) -0.0240(4) 0.7259(5) 0.255(10) Uani 1 1 d . . .
H95A H 0.2968 -0.0410 0.7468 0.305 Uiso 1 1 calc R . .
H95B H 0.2935 -0.0072 0.7070 0.305 Uiso 1 1 calc R . .
C96 C 0.3529(5) -0.0543(5) 0.7038(5) 0.206(7) Uani 1 1 d . . .
H96A H 0.3380 -0.0565 0.6747 0.247 Uiso 1 1 calc R . .
H96B H 0.3517 -0.0856 0.7168 0.247 Uiso 1 1 calc R . .
C97 C 0.4131(6) -0.0350(3) 0.7049(3) 0.159(5) Uani 1 1 d . . .
H97A H 0.4399 -0.0559 0.7208 0.190 Uiso 1 1 calc R . .
H97B H 0.4289 -0.0318 0.6761 0.190 Uiso 1 1 calc R . .
C98 C 0.4102(5) 0.0075(4) 0.7239(5) 0.205(7) Uani 1 1 d . . .
H98A H 0.4103 0.0327 0.7026 0.246 Uiso 1 1 calc R . .
H98B H 0.4447 0.0120 0.7427 0.246 Uiso 1 1 calc R . .
O8 O 0.6176(5) 0.3904(4) 0.5943(3) 0.225(4) Uiso 1 1 d D . .
C102 C 0.6507(7) 0.4435(6) 0.6426(6) 0.251(8) Uiso 1 1 d D . .
H10W H 0.6323 0.4281 0.6671 0.301 Uiso 0.509(14) 1 calc PR A 1
H10X H 0.6568 0.4769 0.6494 0.301 Uiso 0.509(14) 1 calc PR A 1
H10Y H 0.6639 0.4628 0.6186 0.301 Uiso 0.491(14) 1 d PR A 2
H10Z H 0.6695 0.4543 0.6690 0.301 Uiso 0.491(14) 1 d PR A 2
C100 C 0.6805(7) 0.3785(5) 0.6105(6) 0.106(6) Uiso 0.509(14) 1 d PD A 1
H10D H 0.6774 0.3526 0.6308 0.127 Uiso 0.509(14) 1 calc PR A 1
H10E H 0.7050 0.3676 0.5866 0.127 Uiso 0.509(14) 1 calc PR A 1
C101 C 0.7122(6) 0.4197(5) 0.6317(4) 0.088(5) Uiso 0.509(14) 1 d PD A 1
H10F H 0.7369 0.4383 0.6121 0.106 Uiso 0.509(14) 1 calc PR A 1
H10G H 0.7354 0.4106 0.6567 0.106 Uiso 0.509(14) 1 calc PR A 1
C103 C 0.610(2) 0.4385(9) 0.6033(11) 0.35(3) Uiso 0.509(14) 1 d PD A 1
H10H H 0.5676 0.4459 0.6100 0.417 Uiso 0.509(14) 1 calc PR A 1
H10I H 0.6233 0.4585 0.5799 0.417 Uiso 0.509(14) 1 calc PR A 1
C104 C 0.5538(10) 0.4027(11) 0.6073(10) 0.224(15) Uiso 0.491(14) 1 d PD A 2
H10J H 0.5314 0.3763 0.6196 0.269 Uiso 0.491(14) 1 calc PR A 2
H10K H 0.5304 0.4183 0.5850 0.269 Uiso 0.491(14) 1 calc PR A 2
C105 C 0.5808(10) 0.4372(11) 0.6409(12) 0.273(19) Uiso 0.491(14) 1 d PD A 2
H10L H 0.5675 0.4266 0.6689 0.328 Uiso 0.491(14) 1 calc PR A 2
H10M H 0.5630 0.4683 0.6361 0.328 Uiso 0.491(14) 1 calc PR A 2
C106 C 0.6605(16) 0.3906(8) 0.6315(10) 0.28(2) Uiso 0.491(14) 1 d PD A 2
H10N H 0.7020 0.3837 0.6232 0.342 Uiso 0.491(14) 1 calc PR A 2
H10O H 0.6477 0.3695 0.6543 0.342 Uiso 0.491(14) 1 calc PR A 2
C1S C 0.4834(10) 0.5607(8) 0.5875(7) 0.240(6) Uiso 0.92(3) 1 d P . .
C2S C 0.524(3) 0.509(2) 0.539(3) 0.240(6) Uiso 0.53(10) 1 d P . .
C3S C 0.4579(11) 0.5328(8) 0.5438(8) 0.240(6) Uiso 0.83(3) 1 d P . .
C4S C 0.5388(15) 0.5328(13) 0.5766(12) 0.240(6) Uiso 0.61(3) 1 d P . .
C5S C 0.431(3) 0.519(2) 0.4820(19) 0.240(6) Uiso 0.31(2) 1 d P . .
C6S C 0.502(4) 0.5036(18) 0.517(3) 0.240(6) Uiso 0.60(11) 1 d P . .
C7S C 0.468(3) 0.530(2) 0.628(2) 0.240(6) Uiso 0.27(2) 1 d P . .
C8S C 0.498(3) 0.482(3) 0.601(2) 0.240(6) Uiso 0.25(2) 1 d P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N1 Rh1 O1 84.37(10) . .
N1 Rh1 O2 84.03(10) . .
O1 Rh1 O2 168.40(9) . .
N1 Rh1 N4 90.77(11) . .
O1 Rh1 N4 89.41(10) . .
O2 Rh1 N4 90.47(10) . .
N1 Rh1 N3 89.68(11) . .
O1 Rh1 N3 91.45(10) . .
O2 Rh1 N3 88.76(10) . .
N4 Rh1 N3 179.06(12) . .
N1 Rh1 N2 179.51(12) . .
O1 Rh1 N2 95.29(10) . .
O2 Rh1 N2 96.31(10) . .
N4 Rh1 N2 89.58(11) . .
N3 Rh1 N2 89.97(11) . .
N5 Rh2 O3 84.17(10) . .
N5 Rh2 O4 84.50(10) . .
O3 Rh2 O4 168.63(9) . .
N5 Rh2 N8 91.68(12) . .
O3 Rh2 N8 90.17(10) . .
O4 Rh2 N8 89.11(11) . .
N5 Rh2 N7 89.37(12) . .
O3 Rh2 N7 90.54(11) . .
O4 Rh2 N7 90.40(11) . .
N8 Rh2 N7 178.79(12) . .
N5 Rh2 N6 178.27(12) . .
O3 Rh2 N6 95.05(10) . .
O4 Rh2 N6 96.24(10) . .
N8 Rh2 N6 86.78(11) . .
N7 Rh2 N6 92.18(12) . .
C2 O1 Rh1 109.56(19) . .
C16 O2 Rh1 109.28(18) . .
C45 O3 Rh2 109.57(19) . .
C59 O4 Rh2 109.59(19) . .
C87 O5 C90 105.6(9) . .
C91 O6 C94 107.4(7) . .
C98 O7 C95 104.0(8) . .
C1 N1 C15 133.3(3) . .
C1 N1 Rh1 113.2(2) . .
C15 N1 Rh1 113.4(2) . .
C29 N2 C33 118.1(3) . .
C29 N2 Rh1 120.1(2) . .
C33 N2 Rh1 121.8(2) . .
C38 N3 C34 117.2(3) . .
C38 N3 Rh1 122.8(2) . .
C34 N3 Rh1 119.9(2) . .
C39 N4 C43 117.6(3) . .
C39 N4 Rh1 121.9(2) . .
C43 N4 Rh1 120.5(2) . .
C58 N5 C44 133.1(3) . .
C58 N5 Rh2 113.1(2) . .
C44 N5 Rh2 113.7(2) . .
C76 N6 C72 118.5(3) . .
C76 N6 Rh2 118.6(2) . .
C72 N6 Rh2 122.6(2) . .
C77 N7 C81 116.2(4) . .
C77 N7 Rh2 121.9(3) . .
C81 N7 Rh2 121.8(3) . .
C86 N8 C82 118.2(3) . .
C86 N8 Rh2 122.7(2) . .
C82 N8 Rh2 118.9(2) . .
N1 C1 C6 126.9(3) . .
N1 C1 C2 114.1(3) . .
C6 C1 C2 118.9(3) . .
O1 C2 C3 121.8(3) . .
O1 C2 C1 118.5(3) . .
C3 C2 C1 119.7(3) . .
C2 C3 C4 118.4(3) . .
C2 C3 C7 120.7(3) . .
C4 C3 C7 120.8(3) . .
C5 C4 C3 123.0(3) . .
C5 C4 H4A 118.5 . .
C3 C4 H4A 118.5 . .
C4 C5 C6 118.3(3) . .
C4 C5 C11 123.8(3) . .
C6 C5 C11 117.9(3) . .
C5 C6 C1 121.4(3) . .
C5 C6 H6A 119.3 . .
C1 C6 H6A 119.3 . .
C9 C7 C10 107.7(3) . .
C9 C7 C8 107.5(3) . .
C10 C7 C8 109.7(3) . .
C9 C7 C3 111.7(3) . .
C10 C7 C3 110.4(3) . .
C8 C7 C3 109.9(3) . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C7 C10 H10A 109.5 . .
C7 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C7 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C13 C11 C12 109.5(3) . .
C13 C11 C5 109.3(3) . .
C12 C11 C5 109.7(3) . .
C13 C11 C14 108.1(3) . .
C12 C11 C14 108.1(3) . .
C5 C11 C14 112.1(3) . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C11 C13 H13A 109.5 . .
C11 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C11 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C11 C14 H14A 109.5 . .
C11 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C11 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
N1 C15 C20 127.2(3) . .
N1 C15 C16 113.7(3) . .
C20 C15 C16 119.0(3) . .
O2 C16 C17 121.3(3) . .
O2 C16 C15 118.8(3) . .
C17 C16 C15 119.9(3) . .
C18 C17 C16 118.2(3) . .
C18 C17 C21 121.2(3) . .
C16 C17 C21 120.5(3) . .
C19 C18 C17 123.1(3) . .
C19 C18 H18A 118.4 . .
C17 C18 H18A 118.4 . .
C18 C19 C20 117.9(3) . .
C18 C19 C25 122.9(3) . .
C20 C19 C25 119.1(3) . .
C15 C20 C19 121.8(3) . .
C15 C20 H20A 119.1 . .
C19 C20 H20A 119.1 . .
C24 C21 C23 107.3(3) . .
C24 C21 C17 110.7(3) . .
C23 C21 C17 111.8(3) . .
C24 C21 C22 109.9(3) . .
C23 C21 C22 107.2(3) . .
C17 C21 C22 109.8(3) . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C21 C23 H23A 109.5 . .
C21 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C21 C24 H24A 109.5 . .
C21 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C21 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C28 C25 C26 108.2(4) . .
C28 C25 C19 108.6(3) . .
C26 C25 C19 111.7(3) . .
C28 C25 C27 109.7(4) . .
C26 C25 C27 108.0(4) . .
C19 C25 C27 110.5(3) . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C25 C27 H27A 109.5 . .
C25 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C25 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C25 C28 H28A 109.5 . .
C25 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C25 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
N2 C29 C30 122.7(3) . .
N2 C29 H29A 118.6 . .
C30 C29 H29A 118.6 . .
C29 C30 C31 119.1(4) . .
C29 C30 H30A 120.4 . .
C31 C30 H30A 120.4 . .
C32 C31 C30 118.2(4) . .
C32 C31 H31A 120.9 . .
C30 C31 H31A 120.9 . .
C33 C32 C31 119.5(4) . .
C33 C32 H32A 120.2 . .
C31 C32 H32A 120.2 . .
N2 C33 C32 122.3(4) . .
N2 C33 H33A 118.8 . .
C32 C33 H33A 118.8 . .
N3 C34 C35 123.0(4) . .
N3 C34 H34A 118.5 . .
C35 C34 H34A 118.5 . .
C36 C35 C34 119.0(4) . .
C36 C35 H35A 120.5 . .
C34 C35 H35A 120.5 . .
C37 C36 C35 118.4(4) . .
C37 C36 H36A 120.8 . .
C35 C36 H36A 120.8 . .
C36 C37 C38 119.6(4) . .
C36 C37 H37A 120.2 . .
C38 C37 H37A 120.2 . .
N3 C38 C37 122.7(4) . .
N3 C38 H38A 118.6 . .
C37 C38 H38A 118.6 . .
N4 C39 C40 122.5(3) . .
N4 C39 H39A 118.7 . .
C40 C39 H39A 118.7 . .
C41 C40 C39 119.8(4) . .
C41 C40 H40A 120.1 . .
C39 C40 H40A 120.1 . .
C40 C41 C42 118.0(3) . .
C40 C41 H41A 121.0 . .
C42 C41 H41A 121.0 . .
C41 C42 C43 119.5(3) . .
C41 C42 H42A 120.3 . .
C43 C42 H42A 120.3 . .
N4 C43 C42 122.6(3) . .
N4 C43 H43A 118.7 . .
C42 C43 H43A 118.7 . .
C49 C44 N5 127.7(3) . .
C49 C44 C45 118.8(3) . .
N5 C44 C45 113.5(3) . .
O3 C45 C46 121.0(3) . .
O3 C45 C44 118.9(3) . .
C46 C45 C44 120.1(3) . .
C45 C46 C47 118.4(3) . .
C45 C46 C50 120.4(3) . .
C47 C46 C50 121.3(3) . .
C48 C47 C46 122.5(3) . .
C48 C47 H47A 118.7 . .
C46 C47 H47A 118.7 . .
C47 C48 C49 118.4(3) . .
C47 C48 C54 123.6(3) . .
C49 C48 C54 118.0(3) . .
C44 C49 C48 121.7(3) . .
C44 C49 H49A 119.2 . .
C48 C49 H49A 119.2 . .
C53 C50 C52 109.7(3) . .
C53 C50 C51 107.6(3) . .
C52 C50 C51 107.0(3) . .
C53 C50 C46 110.4(3) . .
C52 C50 C46 110.5(3) . .
C51 C50 C46 111.6(3) . .
C50 C51 H51A 109.5 . .
C50 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
C50 C51 H51C 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
C50 C52 H52A 109.5 . .
C50 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C50 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
C50 C53 H53A 109.5 . .
C50 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
C50 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
C56 C54 C55 108.4(4) . .
C56 C54 C48 111.9(3) . .
C55 C54 C48 109.7(4) . .
C56 C54 C57 108.0(4) . .
C55 C54 C57 109.4(4) . .
C48 C54 C57 109.4(4) . .
C54 C55 H55A 109.5 . .
C54 C55 H55B 109.5 . .
H55A C55 H55B 109.5 . .
C54 C55 H55C 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
C54 C56 H56A 109.5 . .
C54 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
C54 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
C54 C57 H57A 109.5 . .
C54 C57 H57B 109.5 . .
H57A C57 H57B 109.5 . .
C54 C57 H57C 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
N5 C58 C63 126.9(3) . .
N5 C58 C59 114.3(3) . .
C63 C58 C59 118.9(3) . .
O4 C59 C60 121.9(3) . .
O4 C59 C58 118.5(3) . .
C60 C59 C58 119.6(3) . .
C61 C60 C59 118.7(3) . .
C61 C60 C64 120.5(3) . .
C59 C60 C64 120.8(3) . .
C62 C61 C60 122.5(3) . .
C62 C61 H61A 118.7 . .
C60 C61 H61A 118.7 . .
C63 C62 C61 118.3(3) . .
C63 C62 C68 121.7(3) . .
C61 C62 C68 119.9(3) . .
C62 C63 C58 121.9(3) . .
C62 C63 H63A 119.0 . .
C58 C63 H63A 119.0 . .
C66 C64 C65 108.2(3) . .
C66 C64 C67 110.5(3) . .
C65 C64 C67 106.7(3) . .
C66 C64 C60 109.4(3) . .
C65 C64 C60 111.5(3) . .
C67 C64 C60 110.5(3) . .
C64 C65 H65A 109.5 . .
C64 C65 H65B 109.5 . .
H65A C65 H65B 109.5 . .
C64 C65 H65C 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
C64 C66 H66A 109.5 . .
C64 C66 H66B 109.5 . .
H66A C66 H66B 109.5 . .
C64 C66 H66C 109.5 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
C64 C67 H67A 109.5 . .
C64 C67 H67B 109.5 . .
H67A C67 H67B 109.5 . .
C64 C67 H67C 109.5 . .
H67A C67 H67C 109.5 . .
H67B C67 H67C 109.5 . .
C69 C68 C70 108.7(4) . .
C69 C68 C71 109.9(4) . .
C70 C68 C71 107.7(4) . .
C69 C68 C62 110.2(3) . .
C70 C68 C62 112.1(3) . .
C71 C68 C62 108.3(3) . .
C68 C69 H69A 109.5 . .
C68 C69 H69B 109.5 . .
H69A C69 H69B 109.5 . .
C68 C69 H69C 109.5 . .
H69A C69 H69C 109.5 . .
H69B C69 H69C 109.5 . .
C68 C70 H70A 109.5 . .
C68 C70 H70B 109.5 . .
H70A C70 H70B 109.5 . .
C68 C70 H70C 109.5 . .
H70A C70 H70C 109.5 . .
H70B C70 H70C 109.5 . .
C68 C71 H71A 109.5 . .
C68 C71 H71B 109.5 . .
H71A C71 H71B 109.5 . .
C68 C71 H71C 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
N6 C72 C73 122.1(4) . .
N6 C72 H72A 119.0 . .
C73 C72 H72A 119.0 . .
C72 C73 C74 119.3(4) . .
C72 C73 H73A 120.4 . .
C74 C73 H73A 120.4 . .
C75 C74 C73 118.6(4) . .
C75 C74 H74A 120.7 . .
C73 C74 H74A 120.7 . .
C74 C75 C76 119.3(4) . .
C74 C75 H75A 120.3 . .
C76 C75 H75A 120.3 . .
N6 C76 C75 122.2(4) . .
N6 C76 H76A 118.9 . .
C75 C76 H76A 118.9 . .
N7 C77 C78 123.0(4) . .
N7 C77 H77A 118.5 . .
C78 C77 H77A 118.5 . .
C79 C78 C77 119.2(5) . .
C79 C78 H78A 120.4 . .
C77 C78 H78A 120.4 . .
C80 C79 C78 118.5(4) . .
C80 C79 H79A 120.8 . .
C78 C79 H79A 120.8 . .
C79 C80 C81 119.8(4) . .
C79 C80 H80A 120.1 . .
C81 C80 H80A 120.1 . .
N7 C81 C80 123.3(4) . .
N7 C81 H81A 118.4 . .
C80 C81 H81A 118.4 . .
N8 C82 C83 122.1(4) . .
N8 C82 H82A 118.9 . .
C83 C82 H82A 118.9 . .
C82 C83 C84 119.3(4) . .
C82 C83 H83A 120.4 . .
C84 C83 H83A 120.4 . .
C85 C84 C83 119.0(4) . .
C85 C84 H84A 120.5 . .
C83 C84 H84A 120.5 . .
C84 C85 C86 118.8(4) . .
C84 C85 H85A 120.6 . .
C86 C85 H85A 120.6 . .
N8 C86 C85 122.6(4) . .
N8 C86 H86A 118.7 . .
C85 C86 H86A 118.7 . .
O5 C87 C88 111.6(10) . .
O5 C87 H87A 109.3 . .
C88 C87 H87A 109.3 . .
O5 C87 H87B 109.3 . .
C88 C87 H87B 109.3 . .
H87A C87 H87B 108.0 . .
C87 C88 C89 100.3(9) . .
C87 C88 H88A 111.7 . .
C89 C88 H88A 111.7 . .
C87 C88 H88B 111.7 . .
C89 C88 H88B 111.7 . .
H88A C88 H88B 109.5 . .
C88 C89 C90 100.9(9) . .
C88 C89 H89A 111.6 . .
C90 C89 H89A 111.6 . .
C88 C89 H89B 111.6 . .
C90 C89 H89B 111.6 . .
H89A C89 H89B 109.4 . .
O5 C90 C89 107.8(8) . .
O5 C90 H90A 110.1 . .
C89 C90 H90A 110.1 . .
O5 C90 H90B 110.1 . .
C89 C90 H90B 110.1 . .
H90A C90 H90B 108.5 . .
O6 C91 C92 109.3(8) . .
O6 C91 H91A 109.8 . .
C92 C91 H91A 109.8 . .
O6 C91 H91B 109.8 . .
C92 C91 H91B 109.8 . .
H91A C91 H91B 108.3 . .
C93 C92 C91 102.3(7) . .
C93 C92 H92A 111.3 . .
C91 C92 H92A 111.3 . .
C93 C92 H92B 111.3 . .
C91 C92 H92B 111.3 . .
H92A C92 H92B 109.2 . .
C94 C93 C92 101.5(7) . .
C94 C93 H93A 111.5 . .
C92 C93 H93A 111.5 . .
C94 C93 H93B 111.5 . .
C92 C93 H93B 111.5 . .
H93A C93 H93B 109.3 . .
O6 C94 C93 108.5(6) . .
O6 C94 H94A 110.0 . .
C93 C94 H94A 110.0 . .
O6 C94 H94B 110.0 . .
C93 C94 H94B 110.0 . .
H94A C94 H94B 108.4 . .
C96 C95 O7 111.7(11) . .
C96 C95 H95A 109.3 . .
O7 C95 H95A 109.3 . .
C96 C95 H95B 109.3 . .
O7 C95 H95B 109.3 . .
H95A C95 H95B 107.9 . .
C95 C96 C97 103.7(10) . .
C95 C96 H96A 111.0 . .
C97 C96 H96A 111.0 . .
C95 C96 H96B 111.0 . .
C97 C96 H96B 111.0 . .
H96A C96 H96B 109.0 . .
C98 C97 C96 107.8(11) . .
C98 C97 H97A 110.1 . .
C96 C97 H97A 110.1 . .
C98 C97 H97B 110.1 . .
C96 C97 H97B 110.1 . .
H97A C97 H97B 108.5 . .
C97 C98 O7 106.6(10) . .
C97 C98 H98A 110.4 . .
O7 C98 H98A 110.4 . .
C97 C98 H98B 110.4 . .
O7 C98 H98B 110.4 . .
H98A C98 H98B 108.6 . .
C103 O8 C106 85.3(16) . .
C103 O8 C104 67(2) . .
C106 O8 C104 112(2) . .
C103 O8 C100 105.2(18) . .
C106 O8 C100 33.2(15) . .
C104 O8 C100 144.8(17) . .
C103 C102 C106 79.2(15) . .
C103 C102 C101 107(2) . .
C106 C102 C101 53.9(15) . .
C103 C102 C105 51(2) . .
C106 C102 C105 91.1(16) . .
C101 C102 C105 144.1(17) . .
C103 C102 H10W 110.2 . .
C106 C102 H10W 78.7 . .
C101 C102 H10W 110.2 . .
C105 C102 H10W 63.9 . .
C103 C102 H10X 110.2 . .
C106 C102 H10X 164.1 . .
C101 C102 H10X 110.2 . .
C105 C102 H10X 104.8 . .
H10W C102 H10X 108.5 . .
C103 C102 H10Y 66.9 . .
C106 C102 H10Y 108.8 . .
C101 C102 H10Y 79.0 . .
C105 C102 H10Y 109.5 . .
H10W C102 H10Y 170.6 . .
H10X C102 H10Y 65.7 . .
C103 C102 H10Z 164.0 . .
C106 C102 H10Z 115.6 . .
C101 C102 H10Z 87.2 . .
C105 C102 H10Z 119.2 . .
H10W C102 H10Z 69.2 . .
H10X C102 H10Z 57.0 . .
H10Y C102 H10Z 110.9 . .
C101 C100 O8 113.6(12) . .
C101 C100 H10D 108.8 . .
O8 C100 H10D 108.8 . .
C101 C100 H10E 108.8 . .
O8 C100 H10E 108.8 . .
H10D C100 H10E 107.7 . .
C100 C101 C102 91.5(12) . .
C100 C101 H10F 113.4 . .
C102 C101 H10F 113.4 . .
C100 C101 H10G 113.4 . .
C102 C101 H10G 113.4 . .
H10F C101 H10G 110.7 . .
O8 C103 C102 100.3(17) . .
O8 C103 H10Y 114.8 . .
C102 C103 H10Y 37.8 . .
O8 C103 H10H 111.7 . .
C102 C103 H10H 111.7 . .
H10Y C103 H10H 127.6 . .
O8 C103 H10I 111.7 . .
C102 C103 H10I 111.7 . .
H10Y C103 H10I 73.9 . .
H10H C103 H10I 109.5 . .
O8 C104 C105 88.2(18) . .
O8 C104 H10J 113.9 . .
C105 C104 H10J 113.9 . .
O8 C104 H10K 113.9 . .
C105 C104 H10K 113.9 . .
H10J C104 H10K 111.1 . .
C104 C105 C102 118(2) . .
C104 C105 H10L 107.7 . .
C102 C105 H10L 107.7 . .
C104 C105 H10M 107.7 . .
C102 C105 H10M 107.7 . .
H10L C105 H10M 107.1 . .
O8 C106 C102 95.2(15) . .
O8 C106 H10N 112.7 . .
C102 C106 H10N 112.7 . .
O8 C106 H10O 112.7 . .
C102 C106 H10O 112.7 . .
H10N C106 H10O 110.2 . .
C4S C1S C7S 94(3) . .
C4S C1S C3S 81(2) . .
C7S C1S C3S 109(3) . .
C6S C2S C4S 153(8) . .
C6S C2S C5S 86(9) . 5_666
C4S C2S C5S 119(8) . 5_666
C6S C2S C3S 68(6) . .
C4S C2S C3S 86(4) . .
C5S C2S C3S 154(10) 5_666 .
C6S C2S C6S 17(7) . 5_666
C4S C2S C6S 161(4) . 5_666
C5S C2S C6S 71(5) 5_666 5_666
C3S C2S C6S 84(6) . 5_666
C6S C3S C2S 32(2) . .
C6S C3S C1S 120(4) . .
C2S C3S C1S 88(5) . .
C2S C4S C1S 105(4) . .
C2S C4S C8S 81(3) . .
C1S C4S C8S 86(3) . .
C2S C5S C6S 32(3) 5_666 5_666
C2S C5S C6S 65(7) 5_666 .
C6S C5S C6S 33(5) 5_666 .
C2S C6S C6S 150(10) . 5_666
C2S C6S C3S 79(6) . .
C6S C6S C3S 127(10) 5_666 .
C2S C6S C5S 62(7) . 5_666
C6S C6S C5S 91(8) 5_666 5_666
C3S C6S C5S 141(7) . 5_666
C2S C6S C2S 163(7) . 5_666
C6S C6S C2S 14(7) 5_666 5_666
C3S C6S C2S 116(6) . 5_666
C5S C6S C2S 103(3) 5_666 5_666
C2S C6S C5S 150(7) . .
C6S C6S C5S 56(9) 5_666 .
C3S C6S C5S 71(4) . .
C5S C6S C5S 147(5) 5_666 .
C2S C6S C5S 44(3) 5_666 .
C1S C7S C8S 87(4) . .
C7S C8S C4S 77(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 N1 1.939(3) .
Rh1 O1 2.015(2) .
Rh1 O2 2.021(2) .
Rh1 N4 2.062(3) .
Rh1 N3 2.062(3) .
Rh1 N2 2.075(3) .
Rh2 N5 1.941(3) .
Rh2 O3 2.014(2) .
Rh2 O4 2.015(2) .
Rh2 N8 2.037(3) .
Rh2 N7 2.069(3) .
Rh2 N6 2.077(3) .
O1 C2 1.357(4) .
O2 C16 1.363(4) .
O3 C45 1.362(4) .
O4 C59 1.353(4) .
O5 C87 1.352(10) .
O5 C90 1.437(9) .
O6 C91 1.357(9) .
O6 C94 1.403(8) .
O7 C98 1.389(11) .
O7 C95 1.399(11) .
N1 C1 1.385(4) .
N1 C15 1.391(4) .
N2 C29 1.336(4) .
N2 C33 1.346(4) .
N3 C38 1.337(5) .
N3 C34 1.343(5) .
N4 C39 1.338(4) .
N4 C43 1.342(4) .
N5 C58 1.383(4) .
N5 C44 1.393(4) .
N6 C76 1.334(4) .
N6 C72 1.344(5) .
N7 C77 1.335(5) .
N7 C81 1.338(5) .
N8 C86 1.338(4) .
N8 C82 1.348(5) .
C1 C6 1.402(4) .
C1 C2 1.441(4) .
C2 C3 1.401(4) .
C3 C4 1.404(5) .
C3 C7 1.542(4) .
C4 C5 1.387(5) .
C4 H4A 0.9500 .
C5 C6 1.396(4) .
C5 C11 1.536(5) .
C6 H6A 0.9500 .
C7 C9 1.532(5) .
C7 C10 1.533(5) .
C7 C8 1.533(5) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 C13 1.532(6) .
C11 C12 1.534(5) .
C11 C14 1.537(5) .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 C20 1.393(5) .
C15 C16 1.432(4) .
C16 C17 1.406(4) .
C17 C18 1.402(5) .
C17 C21 1.538(5) .
C18 C19 1.388(5) .
C18 H18A 0.9500 .
C19 C20 1.399(5) .
C19 C25 1.535(5) .
C20 H20A 0.9500 .
C21 C24 1.529(5) .
C21 C23 1.536(5) .
C21 C22 1.542(5) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 C28 1.524(6) .
C25 C26 1.529(5) .
C25 C27 1.536(6) .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 C30 1.379(5) .
C29 H29A 0.9500 .
C30 C31 1.387(6) .
C30 H30A 0.9500 .
C31 C32 1.384(6) .
C31 H31A 0.9500 .
C32 C33 1.375(5) .
C32 H32A 0.9500 .
C33 H33A 0.9500 .
C34 C35 1.384(6) .
C34 H34A 0.9500 .
C35 C36 1.375(6) .
C35 H35A 0.9500 .
C36 C37 1.374(6) .
C36 H36A 0.9500 .
C37 C38 1.381(5) .
C37 H37A 0.9500 .
C38 H38A 0.9500 .
C39 C40 1.383(5) .
C39 H39A 0.9500 .
C40 C41 1.373(5) .
C40 H40A 0.9500 .
C41 C42 1.377(5) .
C41 H41A 0.9500 .
C42 C43 1.383(5) .
C42 H42A 0.9500 .
C43 H43A 0.9500 .
C44 C49 1.391(5) .
C44 C45 1.435(5) .
C45 C46 1.398(5) .
C46 C47 1.406(5) .
C46 C50 1.544(5) .
C47 C48 1.390(5) .
C47 H47A 0.9500 .
C48 C49 1.396(5) .
C48 C54 1.542(5) .
C49 H49A 0.9500 .
C50 C53 1.541(5) .
C50 C52 1.541(5) .
C50 C51 1.543(5) .
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 H53A 0.9800 .
C53 H53B 0.9800 .
C53 H53C 0.9800 .
C54 C56 1.525(5) .
C54 C55 1.528(7) .
C54 C57 1.546(7) .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C55 H55C 0.9800 .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
C57 H57A 0.9800 .
C57 H57B 0.9800 .
C57 H57C 0.9800 .
C58 C63 1.397(5) .
C58 C59 1.445(5) .
C59 C60 1.402(5) .
C60 C61 1.401(5) .
C60 C64 1.549(5) .
C61 C62 1.399(5) .
C61 H61A 0.9500 .
C62 C63 1.386(5) .
C62 C68 1.540(5) .
C63 H63A 0.9500 .
C64 C66 1.520(6) .
C64 C65 1.540(5) .
C64 C67 1.542(6) .
C65 H65A 0.9800 .
C65 H65B 0.9800 .
C65 H65C 0.9800 .
C66 H66A 0.9800 .
C66 H66B 0.9800 .
C66 H66C 0.9800 .
C67 H67A 0.9800 .
C67 H67B 0.9800 .
C67 H67C 0.9800 .
C68 C69 1.526(6) .
C68 C70 1.537(5) .
C68 C71 1.537(6) .
C69 H69A 0.9800 .
C69 H69B 0.9800 .
C69 H69C 0.9800 .
C70 H70A 0.9800 .
C70 H70B 0.9800 .
C70 H70C 0.9800 .
C71 H71A 0.9800 .
C71 H71B 0.9800 .
C71 H71C 0.9800 .
C72 C73 1.375(5) .
C72 H72A 0.9500 .
C73 C74 1.382(6) .
C73 H73A 0.9500 .
C74 C75 1.375(6) .
C74 H74A 0.9500 .
C75 C76 1.381(5) .
C75 H75A 0.9500 .
C76 H76A 0.9500 .
C77 C78 1.386(6) .
C77 H77A 0.9500 .
C78 C79 1.369(7) .
C78 H78A 0.9500 .
C79 C80 1.341(7) .
C79 H79A 0.9500 .
C80 C81 1.383(6) .
C80 H80A 0.9500 .
C81 H81A 0.9500 .
C82 C83 1.379(5) .
C82 H82A 0.9500 .
C83 C84 1.383(6) .
C83 H83A 0.9500 .
C84 C85 1.374(6) .
C84 H84A 0.9500 .
C85 C86 1.388(5) .
C85 H85A 0.9500 .
C86 H86A 0.9500 .
C87 C88 1.478(17) .
C87 H87A 0.9900 .
C87 H87B 0.9900 .
C88 C89 1.488(13) .
C88 H88A 0.9900 .
C88 H88B 0.9900 .
C89 C90 1.520(11) .
C89 H89A 0.9900 .
C89 H89B 0.9900 .
C90 H90A 0.9900 .
C90 H90B 0.9900 .
C91 C92 1.558(13) .
C91 H91A 0.9900 .
C91 H91B 0.9900 .
C92 C93 1.491(11) .
C92 H92A 0.9900 .
C92 H92B 0.9900 .
C93 C94 1.488(9) .
C93 H93A 0.9900 .
C93 H93B 0.9900 .
C94 H94A 0.9900 .
C94 H94B 0.9900 .
C95 C96 1.329(12) .
C95 H95A 0.9900 .
C95 H95B 0.9900 .
C96 C97 1.461(13) .
C96 H96A 0.9900 .
C96 H96B 0.9900 .
C97 C98 1.364(11) .
C97 H97A 0.9900 .
C97 H97B 0.9900 .
C98 H98A 0.9900 .
C98 H98B 0.9900 .
O8 C103 1.422(19) .
O8 C106 1.527(18) .
O8 C104 1.532(17) .
O8 C100 1.542(14) .
C102 C103 1.562(17) .
C102 C106 1.576(16) .
C102 C101 1.578(14) .
C102 C105 1.581(16) .
C102 H10W 0.9900 .
C102 H10X 0.9900 .
C102 H10Y 0.9901 .
C102 H10Z 0.9902 .
C100 C101 1.537(14) .
C100 H10D 0.9900 .
C100 H10E 0.9900 .
C101 H10F 0.9900 .
C101 H10G 0.9900 .
C103 H10Y 1.4851 .
C103 H10H 0.9900 .
C103 H10I 0.9900 .
C104 C105 1.581(17) .
C104 H10J 0.9900 .
C104 H10K 0.9900 .
C105 H10L 0.9900 .
C105 H10M 0.9900 .
C106 H10N 0.9900 .
C106 H10O 0.9900 .
C1S C4S 1.52(3) .
C1S C7S 1.62(7) .
C1S C3S 1.71(3) .
C2S C6S 0.89(6) .
C2S C4S 1.41(10) .
C2S C5S 1.47(7) 5_666
C2S C3S 1.64(6) .
C2S C6S 1.9(2) 5_666
C3S C6S 1.55(5) .
C4S C8S 1.89(7) .
C5S C2S 1.47(7) 5_666
C5S C6S 1.66(11) 5_666
C5S C6S 1.99(12) .
C6S C6S 1.09(17) 5_666
C6S C5S 1.66(11) 5_666
C6S C2S 1.9(2) 5_666
C7S C8S 1.78(8) .
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_4
N1 Rh1 O1 C2 3.1(2) . .
O2 Rh1 O1 C2 4.5(6) . .
N4 Rh1 O1 C2 93.9(2) . .
N3 Rh1 O1 C2 -86.4(2) . .
N2 Rh1 O1 C2 -176.5(2) . .
N1 Rh1 O2 C16 5.6(2) . .
O1 Rh1 O2 C16 4.3(6) . .
N4 Rh1 O2 C16 -85.1(2) . .
N3 Rh1 O2 C16 95.4(2) . .
N2 Rh1 O2 C16 -174.7(2) . .
N5 Rh2 O3 C45 -3.2(2) . .
O4 Rh2 O3 C45 2.2(6) . .
N8 Rh2 O3 C45 88.4(2) . .
N7 Rh2 O3 C45 -92.5(2) . .
N6 Rh2 O3 C45 175.2(2) . .
N5 Rh2 O4 C59 0.1(2) . .
O3 Rh2 O4 C59 -5.2(6) . .
N8 Rh2 O4 C59 -91.7(2) . .
N7 Rh2 O4 C59 89.5(2) . .
N6 Rh2 O4 C59 -178.3(2) . .
O1 Rh1 N1 C1 -4.8(2) . .
O2 Rh1 N1 C1 175.5(2) . .
N4 Rh1 N1 C1 -94.2(2) . .
N3 Rh1 N1 C1 86.7(2) . .
N2 Rh1 N1 C1 41(15) . .
O1 Rh1 N1 C15 172.1(2) . .
O2 Rh1 N1 C15 -7.6(2) . .
N4 Rh1 N1 C15 82.7(2) . .
N3 Rh1 N1 C15 -96.4(2) . .
N2 Rh1 N1 C15 -142(15) . .
N1 Rh1 N2 C29 136(15) . .
O1 Rh1 N2 C29 -178.1(3) . .
O2 Rh1 N2 C29 1.7(3) . .
N4 Rh1 N2 C29 -88.7(3) . .
N3 Rh1 N2 C29 90.4(3) . .
N1 Rh1 N2 C33 -44(15) . .
O1 Rh1 N2 C33 1.9(3) . .
O2 Rh1 N2 C33 -178.3(3) . .
N4 Rh1 N2 C33 91.3(3) . .
N3 Rh1 N2 C33 -89.5(3) . .
N1 Rh1 N3 C38 -70.0(3) . .
O1 Rh1 N3 C38 14.3(3) . .
O2 Rh1 N3 C38 -154.1(3) . .
N4 Rh1 N3 C38 171(18) . .
N2 Rh1 N3 C38 109.6(3) . .
N1 Rh1 N3 C34 108.6(3) . .
O1 Rh1 N3 C34 -167.1(3) . .
O2 Rh1 N3 C34 24.6(3) . .
N4 Rh1 N3 C34 -10(8) . .
N2 Rh1 N3 C34 -71.8(3) . .
N1 Rh1 N4 C39 -76.5(3) . .
O1 Rh1 N4 C39 -160.8(3) . .
O2 Rh1 N4 C39 7.6(3) . .
N3 Rh1 N4 C39 42(8) . .
N2 Rh1 N4 C39 103.9(3) . .
N1 Rh1 N4 C43 104.3(3) . .
O1 Rh1 N4 C43 19.9(3) . .
O2 Rh1 N4 C43 -171.7(3) . .
N3 Rh1 N4 C43 -137(7) . .
N2 Rh1 N4 C43 -75.4(3) . .
O3 Rh2 N5 C58 178.7(2) . .
O4 Rh2 N5 C58 -0.3(2) . .
N8 Rh2 N5 C58 88.7(2) . .
N7 Rh2 N5 C58 -90.7(2) . .
N6 Rh2 N5 C58 116(4) . .
O3 Rh2 N5 C44 1.5(2) . .
O4 Rh2 N5 C44 -177.5(2) . .
N8 Rh2 N5 C44 -88.5(2) . .
N7 Rh2 N5 C44 92.1(2) . .
N6 Rh2 N5 C44 -62(4) . .
N5 Rh2 N6 C76 45(4) . .
O3 Rh2 N6 C76 -18.0(3) . .
O4 Rh2 N6 C76 160.6(3) . .
N8 Rh2 N6 C76 71.8(3) . .
N7 Rh2 N6 C76 -108.8(3) . .
N5 Rh2 N6 C72 -128(4) . .
O3 Rh2 N6 C72 168.7(3) . .
O4 Rh2 N6 C72 -12.7(3) . .
N8 Rh2 N6 C72 -101.4(3) . .
N7 Rh2 N6 C72 77.9(3) . .
N5 Rh2 N7 C77 -78.7(3) . .
O3 Rh2 N7 C77 5.4(3) . .
O4 Rh2 N7 C77 -163.2(3) . .
N8 Rh2 N7 C77 131(6) . .
N6 Rh2 N7 C77 100.5(3) . .
N5 Rh2 N7 C81 97.2(3) . .
O3 Rh2 N7 C81 -178.6(3) . .
O4 Rh2 N7 C81 12.7(3) . .
N8 Rh2 N7 C81 -53(6) . .
N6 Rh2 N7 C81 -83.5(3) . .
N5 Rh2 N8 C86 65.0(3) . .
O3 Rh2 N8 C86 -19.2(3) . .
O4 Rh2 N8 C86 149.5(3) . .
N7 Rh2 N8 C86 -145(6) . .
N6 Rh2 N8 C86 -114.2(3) . .
N5 Rh2 N8 C82 -119.6(3) . .
O3 Rh2 N8 C82 156.2(3) . .
O4 Rh2 N8 C82 -35.2(3) . .
N7 Rh2 N8 C82 31(6) . .
N6 Rh2 N8 C82 61.1(3) . .
C15 N1 C1 C6 12.9(6) . .
Rh1 N1 C1 C6 -171.0(3) . .
C15 N1 C1 C2 -170.6(3) . .
Rh1 N1 C1 C2 5.5(3) . .
Rh1 O1 C2 C3 178.1(2) . .
Rh1 O1 C2 C1 -0.9(3) . .
N1 C1 C2 O1 -3.0(4) . .
C6 C1 C2 O1 173.8(3) . .
N1 C1 C2 C3 177.9(3) . .
C6 C1 C2 C3 -5.3(5) . .
O1 C2 C3 C4 -177.2(3) . .
C1 C2 C3 C4 1.9(5) . .
O1 C2 C3 C7 2.0(5) . .
C1 C2 C3 C7 -179.0(3) . .
C2 C3 C4 C5 1.9(5) . .
C7 C3 C4 C5 -177.2(3) . .
C3 C4 C5 C6 -2.1(5) . .
C3 C4 C5 C11 176.1(3) . .
C4 C5 C6 C1 -1.5(5) . .
C11 C5 C6 C1 -179.8(3) . .
N1 C1 C6 C5 -178.6(3) . .
C2 C1 C6 C5 5.1(5) . .
C2 C3 C7 C9 -178.7(3) . .
C4 C3 C7 C9 0.4(5) . .
C2 C3 C7 C10 61.5(4) . .
C4 C3 C7 C10 -119.4(4) . .
C2 C3 C7 C8 -59.5(4) . .
C4 C3 C7 C8 119.6(4) . .
C4 C5 C11 C13 -112.7(4) . .
C6 C5 C11 C13 65.5(4) . .
C4 C5 C11 C12 127.2(4) . .
C6 C5 C11 C12 -54.6(4) . .
C4 C5 C11 C14 7.2(5) . .
C6 C5 C11 C14 -174.6(3) . .
C1 N1 C15 C20 5.2(6) . .
Rh1 N1 C15 C20 -170.9(3) . .
C1 N1 C15 C16 -175.8(3) . .
Rh1 N1 C15 C16 8.1(4) . .
Rh1 O2 C16 C17 175.7(3) . .
Rh1 O2 C16 C15 -2.8(3) . .
N1 C15 C16 O2 -3.3(4) . .
C20 C15 C16 O2 175.7(3) . .
N1 C15 C16 C17 178.1(3) . .
C20 C15 C16 C17 -2.9(5) . .
O2 C16 C17 C18 -177.0(3) . .
C15 C16 C17 C18 1.5(5) . .
O2 C16 C17 C21 2.5(5) . .
C15 C16 C17 C21 -179.0(3) . .
C16 C17 C18 C19 0.9(5) . .
C21 C17 C18 C19 -178.6(3) . .
C17 C18 C19 C20 -1.8(6) . .
C17 C18 C19 C25 -178.9(4) . .
N1 C15 C20 C19 -179.2(3) . .
C16 C15 C20 C19 1.9(5) . .
C18 C19 C20 C15 0.4(5) . .
C25 C19 C20 C15 177.5(3) . .
C18 C17 C21 C24 -122.6(4) . .
C16 C17 C21 C24 58.0(4) . .
C18 C17 C21 C23 -2.9(5) . .
C16 C17 C21 C23 177.6(3) . .
C18 C17 C21 C22 115.9(4) . .
C16 C17 C21 C22 -63.5(4) . .
C18 C19 C25 C28 104.9(4) . .
C20 C19 C25 C28 -72.1(5) . .
C18 C19 C25 C26 -14.4(6) . .
C20 C19 C25 C26 168.5(4) . .
C18 C19 C25 C27 -134.7(4) . .
C20 C19 C25 C27 48.3(5) . .
C33 N2 C29 C30 0.9(6) . .
Rh1 N2 C29 C30 -179.1(3) . .
N2 C29 C30 C31 -1.6(6) . .
C29 C30 C31 C32 1.3(6) . .
C30 C31 C32 C33 -0.5(7) . .
C29 N2 C33 C32 0.0(6) . .
Rh1 N2 C33 C32 180.0(3) . .
C31 C32 C33 N2 -0.2(7) . .
C38 N3 C34 C35 -0.3(6) . .
Rh1 N3 C34 C35 -179.0(4) . .
N3 C34 C35 C36 1.2(8) . .
C34 C35 C36 C37 -1.1(8) . .
C35 C36 C37 C38 0.0(7) . .
C34 N3 C38 C37 -0.8(6) . .
Rh1 N3 C38 C37 177.8(3) . .
C36 C37 C38 N3 0.9(7) . .
C43 N4 C39 C40 1.4(5) . .
Rh1 N4 C39 C40 -177.9(3) . .
N4 C39 C40 C41 -1.1(6) . .
C39 C40 C41 C42 -0.1(6) . .
C40 C41 C42 C43 0.9(6) . .
C39 N4 C43 C42 -0.6(5) . .
Rh1 N4 C43 C42 178.7(3) . .
C41 C42 C43 N4 -0.6(6) . .
C58 N5 C44 C49 3.1(6) . .
Rh2 N5 C44 C49 179.6(3) . .
C58 N5 C44 C45 -175.9(3) . .
Rh2 N5 C44 C45 0.6(4) . .
Rh2 O3 C45 C46 -173.7(3) . .
Rh2 O3 C45 C44 4.6(4) . .
C49 C44 C45 O3 177.3(3) . .
N5 C44 C45 O3 -3.6(4) . .
C49 C44 C45 C46 -4.5(5) . .
N5 C44 C45 C46 174.7(3) . .
O3 C45 C46 C47 -178.1(3) . .
C44 C45 C46 C47 3.7(5) . .
O3 C45 C46 C50 1.6(5) . .
C44 C45 C46 C50 -176.6(3) . .
C45 C46 C47 C48 -1.0(5) . .
C50 C46 C47 C48 179.3(3) . .
C46 C47 C48 C49 -1.0(6) . .
C46 C47 C48 C54 179.7(4) . .
N5 C44 C49 C48 -176.5(4) . .
C45 C44 C49 C48 2.4(5) . .
C47 C48 C49 C44 0.2(6) . .
C54 C48 C49 C44 179.5(4) . .
C45 C46 C50 C53 -62.1(4) . .
C47 C46 C50 C53 117.6(4) . .
C45 C46 C50 C52 59.4(4) . .
C47 C46 C50 C52 -121.0(4) . .
C45 C46 C50 C51 178.3(3) . .
C47 C46 C50 C51 -2.0(5) . .
C47 C48 C54 C56 0.2(6) . .
C49 C48 C54 C56 -179.0(4) . .
C47 C48 C54 C55 -120.2(5) . .
C49 C48 C54 C55 60.6(5) . .
C47 C48 C54 C57 119.9(4) . .
C49 C48 C54 C57 -59.4(5) . .
C44 N5 C58 C63 -3.5(6) . .
Rh2 N5 C58 C63 -180.0(3) . .
C44 N5 C58 C59 176.9(3) . .
Rh2 N5 C58 C59 0.4(4) . .
Rh2 O4 C59 C60 -178.3(3) . .
Rh2 O4 C59 C58 0.0(4) . .
N5 C58 C59 O4 -0.3(4) . .
C63 C58 C59 O4 -180.0(3) . .
N5 C58 C59 C60 178.1(3) . .
C63 C58 C59 C60 -1.6(5) . .
O4 C59 C60 C61 179.6(3) . .
C58 C59 C60 C61 1.3(5) . .
O4 C59 C60 C64 -2.3(5) . .
C58 C59 C60 C64 179.4(3) . .
C59 C60 C61 C62 -0.7(6) . .
C64 C60 C61 C62 -178.9(4) . .
C60 C61 C62 C63 0.4(6) . .
C60 C61 C62 C68 -177.3(4) . .
C61 C62 C63 C58 -0.7(6) . .
C68 C62 C63 C58 176.9(3) . .
N5 C58 C63 C62 -178.3(3) . .
C59 C58 C63 C62 1.3(5) . .
C61 C60 C64 C66 113.2(4) . .
C59 C60 C64 C66 -64.9(4) . .
C61 C60 C64 C65 -6.5(5) . .
C59 C60 C64 C65 175.4(3) . .
C61 C60 C64 C67 -125.0(4) . .
C59 C60 C64 C67 56.9(4) . .
C63 C62 C68 C69 126.1(4) . .
C61 C62 C68 C69 -56.3(5) . .
C63 C62 C68 C70 4.9(6) . .
C61 C62 C68 C70 -177.4(4) . .
C63 C62 C68 C71 -113.7(4) . .
C61 C62 C68 C71 63.9(5) . .
C76 N6 C72 C73 -0.7(6) . .
Rh2 N6 C72 C73 172.6(3) . .
N6 C72 C73 C74 0.7(6) . .
C72 C73 C74 C75 -0.8(6) . .
C73 C74 C75 C76 0.9(6) . .
C72 N6 C76 C75 0.8(6) . .
Rh2 N6 C76 C75 -172.8(3) . .
C74 C75 C76 N6 -0.9(6) . .
C81 N7 C77 C78 1.8(7) . .
Rh2 N7 C77 C78 177.9(4) . .
N7 C77 C78 C79 0.3(8) . .
C77 C78 C79 C80 -1.9(8) . .
C78 C79 C80 C81 1.4(8) . .
C77 N7 C81 C80 -2.3(6) . .
Rh2 N7 C81 C80 -178.5(3) . .
C79 C80 C81 N7 0.7(7) . .
C86 N8 C82 C83 0.6(5) . .
Rh2 N8 C82 C83 -175.0(3) . .
N8 C82 C83 C84 -0.3(6) . .
C82 C83 C84 C85 0.3(6) . .
C83 C84 C85 C86 -0.7(6) . .
C82 N8 C86 C85 -1.0(5) . .
Rh2 N8 C86 C85 174.4(3) . .
C84 C85 C86 N8 1.1(6) . .
C90 O5 C87 C88 -17.2(13) . .
O5 C87 C88 C89 34.4(13) . .
C87 C88 C89 C90 -34.8(10) . .
C87 O5 C90 C89 -7.1(11) . .
C88 C89 C90 O5 27.4(10) . .
C94 O6 C91 C92 9.7(12) . .
O6 C91 C92 C93 11.5(12) . .
C91 C92 C93 C94 -26.0(10) . .
C91 O6 C94 C93 -27.9(10) . .
C92 C93 C94 O6 34.3(9) . .
C98 O7 C95 C96 22(2) . .
O7 C95 C96 C97 -10(2) . .
C95 C96 C97 C98 -6(2) . .
C96 C97 C98 O7 19.9(17) . .
C95 O7 C98 C97 -25.1(17) . .
C103 O8 C100 C101 2(3) . .
C106 O8 C100 C101 -53(3) . .
C104 O8 C100 C101 -69(3) . .
O8 C100 C101 C102 24.6(16) . .
C103 C102 C101 C100 -42(2) . .
C106 C102 C101 C100 19.5(17) . .
C105 C102 C101 C100 5(4) . .
C106 O8 C103 C102 -2(3) . .
C104 O8 C103 C102 115(3) . .
C100 O8 C103 C102 -28(3) . .
C106 C102 C103 O8 2(3) . .
C101 C102 C103 O8 48(3) . .
C105 C102 C103 O8 -99(3) . .
C103 O8 C104 C105 -39(2) . .
C106 O8 C104 C105 35(3) . .
C100 O8 C104 C105 44(4) . .
O8 C104 C105 C102 3(3) . .
C103 C102 C105 C104 39(3) . .
C106 C102 C105 C104 -36(3) . .
C101 C102 C105 C104 -24(6) . .
C103 O8 C106 C102 2(3) . .
C104 O8 C106 C102 -61(3) . .
C100 O8 C106 C102 129(4) . .
C103 C102 C106 O8 -1(3) . .
C101 C102 C106 O8 -122(3) . .
C105 C102 C106 O8 49(3) . .
C4S C2S C3S C6S 171(7) . .
C5S C2S C3S C6S -2(7) 5_666 .
C6S C2S C3S C6S 7(6) 5_666 .
C6S C2S C3S C1S -170(5) . .
C4S C2S C3S C1S 2(3) . .
C5S C2S C3S C1S -172(9) 5_666 .
C6S C2S C3S C1S -162.6(17) 5_666 .
C4S C1S C3S C6S -8(3) . .
C7S C1S C3S C6S -98(4) . .
C4S C1S C3S C2S -1(2) . .
C7S C1S C3S C2S -92(3) . .
C6S C2S C4S C1S 16(17) . .
C5S C2S C4S C1S 175(4) 5_666 .
C3S C2S C4S C1S -2(3) . .
C6S C2S C4S C1S 56(15) 5_666 .
C6S C2S C4S C8S 99(16) . .
C5S C2S C4S C8S -102(5) 5_666 .
C3S C2S C4S C8S 81(3) . .
C6S C2S C4S C8S 139(15) 5_666 .
C7S C1S C4S C2S 111(4) . .
C3S C1S C4S C2S 2(3) . .
C7S C1S C4S C8S 31(3) . .
C3S C1S C4S C8S -78(3) . .
C4S C2S C6S C6S 135(17) . 5_666
C5S C2S C6S C6S -27(21) 5_666 5_666
C3S C2S C6S C6S 154(21) . 5_666
C4S C2S C6S C3S -19(15) . .
C5S C2S C6S C3S 179(3) 5_666 .
C6S C2S C6S C3S -154(21) 5_666 .
C4S C2S C6S C5S 162(16) . 5_666
C3S C2S C6S C5S -179(3) . 5_666
C6S C2S C6S C5S 27(21) 5_666 5_666
C4S C2S C6S C2S 135(17) . 5_666
C5S C2S C6S C2S -27(21) 5_666 5_666
C3S C2S C6S C2S 154(21) . 5_666
C6S C2S C6S C2S -0.01(3) 5_666 5_666
C4S C2S C6S C5S -4(26) . .
C5S C2S C6S C5S -166(11) 5_666 .
C3S C2S C6S C5S 15(11) . .
C6S C2S C6S C5S -138(29) 5_666 .
C1S C3S C6S C2S 12(6) . .
C2S C3S C6S C6S -164(13) . 5_666
C1S C3S C6S C6S -152(9) . 5_666
C2S C3S C6S C5S 2(4) . 5_666
C1S C3S C6S C5S 13(7) . 5_666
C2S C3S C6S C2S -172(6) . 5_666
C1S C3S C6S C2S -160(3) . 5_666
C2S C3S C6S C5S -172(6) . .
C1S C3S C6S C5S -160(3) . .
C2S C5S C6S C2S 164(12) 5_666 .
C6S C5S C6S C2S 156(18) 5_666 .
C2S C5S C6S C6S 8(6) 5_666 5_666
C2S C5S C6S C3S -180(4) 5_666 .
C6S C5S C6S C3S 172(7) 5_666 .
C2S C5S C6S C5S 8(6) 5_666 5_666
C6S C5S C6S C5S 0.004(18) 5_666 5_666
C6S C5S C6S C2S -8(6) 5_666 5_666
C4S C1S C7S C8S -33(4) . .
C3S C1S C7S C8S 48(4) . .
C1S C7S C8S C4S 27(3) . .
C2S C4S C8S C7S -134(5) . .
C1S C4S C8S C7S -29(3) . .
