# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_mark1_renamed
_database_code_depnum_ccdc_archive 'CCDC 1497753'
_audit_update_record             
;
2017-05-04 deposited with the CCDC.
2017-05-19 downloaded from the CCDC.
;
_audit_creation_date             2017-05-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5335)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C50 H64 Cl2 N6 O2 Rh2, C H2.8'
_chemical_formula_sum            'C51 H66.80 Cl2 N6 O2 Rh2'
_chemical_formula_weight         1072.62
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   15.018(3)
_cell_length_b                   25.511(5)
_cell_length_c                   27.991(6)
_cell_angle_alpha                90
_cell_angle_beta                 93.13(3)
_cell_angle_gamma                90
_cell_volume                     10708(4)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9980
_cell_measurement_temperature    100
_cell_measurement_theta_max      22.5
_cell_measurement_theta_min      2.5
_shelx_estimated_absorpt_T_max   0.992
_shelx_estimated_absorpt_T_min   0.989
_exptl_absorpt_coefficient_mu    0.758
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.331
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             4438
_exptl_crystal_size_max          0.015
_exptl_crystal_size_mid          0.015
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0598
_diffrn_reflns_av_unetI/netI     0.0300
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            68593
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.095
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Australian Synchrotron'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7456
_reflns_number_total             9436
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         0.833
_refine_diff_density_min         -1.081
_refine_diff_density_rms         0.085
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     641
_refine_ls_number_reflns         9436
_refine_ls_number_restraints     144
_refine_ls_R_factor_all          0.0614
_refine_ls_R_factor_gt           0.0468
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0581P)²+42.2237P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1131
_refine_ls_wR_factor_ref         0.1220
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 C165-C166 \\sim C165-C164 \\sim C163-C162 \\sim C162-C161
 with sigma of 0.04
 C15-C2 \\sim C15-C165 \\sim C15-C163 \\sim C15-C166 \\sim C15-C164 \\sim
C15-C162 \\sim C15-C161
 with sigma of 0.02
 C15-C168 \\sim C15-C167 \\sim C15-C165 \\sim C15-C163 \\sim C15-C2 \\sim
C15-C161 \\sim C15-C164 ~
 C15-C166 \\sim C15-C162 \\sim C15-C169
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C162) = Uanis(C165) = Uanis(C168)
4. Rigid body (RIGU) restrains
 C0BA, C1BA, C9AA
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 C2, C15, C167, C168, C169, C163, C165, C164, C161, C162, C166
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C15, C168, C165
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
5. Others
 Fixed Sof: C167(0.3) H16D(0.3) H16E(0.3) H16F(0.3) C168(0.3) H16G(0.3)
 H16H(0.3) H16I(0.3) C169(0.3) H16A(0.3) H16B(0.3) H16C(0.3) C163(0.3)
 H1AA(0.3) H1AB(0.3) H1AC(0.3) C165(0.4) H4AA(0.4) H4AB(0.4) H4AC(0.4)
 C0BA(0.4) H0BA(0.4) H0BB(0.4) C1BA(0.2) H1BA(0.4) H1BB(0.4) C9AA(0.4)
 H9AA(0.4) H9AB(0.4) H9AC(0.4) C164(0.4) H3AA(0.4) H3AB(0.4) H3AC(0.4)
 C161(0.3) H0AA(0.3) H0AB(0.3) H0AC(0.3) C162(0.3) H2AA(0.3) H2AB(0.3)
 H2AC(0.3) C166(0.4) H5AA(0.4) H5AB(0.4) H5AC(0.4)
6.a Ternary CH refined with riding coordinates:
 C2'(H2'), C20(H20), C21(H21), C24(H24), C25(H25), C30(H30), C31(H31),
 C32(H32), C34(H34), C35(H35)
6.b Secondary CH2 refined with riding coordinates:
 C22(H22A,H22B), C23(H23A,H23B), C26(H26A,H26B), C27(H27A,H27B), C33(H33A,
 H33B), C36(H36A,H36B), C37(H37A,H37B), C0BA(H0BA,H0BB), C1BA(H1BA,H1BB)
6.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C1B(H1B), C1C(H1C), C3(H3), C3'(H3'), C3*(H3*), C4'(H4'), C4*(H4*),
 C5'(H5'), C5*(H5*), C6(H6), C8(H8)
6.d Idealised Me refined as rotating group:
 C1D(H1DA,H1DB,H1DC), C14A(H14D,H14E,H14F), C14B(H14A,H14B,H14C), C18A(H18G,
 H18H,H18I), C18B(H18A,H18B,H18C), C18C(H18D,H18E,H18F), C167(H16D,H16E,H16F),
 C168(H16G,H16H,H16I), C169(H16A,H16B,H16C), C163(H1AA,H1AB,H1AC), C165(H4AA,
 H4AB,H4AC), C9AA(H9AA,H9AB,H9AC), C164(H3AA,H3AB,H3AC), C161(H0AA,H0AB,H0AC),
 C162(H2AA,H2AB,H2AC), C166(H5AA,H5AB,H5AC)
6.e Idealised tetrahedral OH refined as rotating group:
 O2(H2)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 1.14388(2) 0.28793(2) 1.00855(2) 0.03748(10) Uani 1 1 d . . . . .
Rh2 Rh 0.92619(2) 0.07365(2) 0.91990(2) 0.05184(13) Uani 1 1 d . . . . .
Cl1 Cl 0.91062(11) -0.00004(5) 0.86863(6) 0.0809(5) Uani 1 1 d . . . . .
Cl2 Cl 1.30034(7) 0.29143(4) 1.04212(4) 0.0419(2) Uani 1 1 d . . . . .
O1 O 0.94292(18) 0.24872(11) 0.86550(12) 0.0452(7) Uani 1 1 d . . . . .
O2 O 1.1882(2) 0.34525(14) 1.12028(13) 0.0570(8) Uani 1 1 d . . . . .
H2 H 1.2258 0.3330 1.1021 0.086 Uiso 1 1 calc GR . . . .
N1 N 1.1682(2) 0.33675(13) 0.90515(14) 0.0429(8) Uani 1 1 d . . . . .
N2 N 1.1876(2) 0.33872(13) 0.95293(13) 0.0401(8) Uani 1 1 d . . . . .
N3 N 1.1216(2) 0.28808(14) 0.83721(14) 0.0436(8) Uani 1 1 d . . . . .
N4 N 1.0787(3) 0.30824(17) 0.79743(15) 0.0570(10) Uani 1 1 d . . . . .
N5 N 0.9794(2) 0.14812(14) 0.84214(14) 0.0450(9) Uani 1 1 d . . . . .
N6 N 1.0918(2) 0.10125(14) 0.86508(17) 0.0538(10) Uani 1 1 d . . . . .
C1 C 0.7172(3) 0.2010(2) 0.83119(19) 0.0569(13) Uani 1 1 d . . . . .
H1 H 0.6569 0.2126 0.8293 0.068 Uiso 1 1 calc R . . . .
C1A C 1.0052(3) 0.10853(16) 0.87301(19) 0.0491(11) Uani 1 1 d . . . . .
C1B C 1.0502(3) 0.16426(18) 0.81585(18) 0.0498(11) Uani 1 1 d . . . . .
H1B H 1.0491 0.1909 0.7921 0.060 Uiso 1 1 calc R . . . .
C1C C 1.1203(3) 0.13489(18) 0.8307(2) 0.0554(13) Uani 1 1 d . . . . .
H1C H 1.1788 0.1369 0.8195 0.066 Uiso 1 1 calc R . . . .
C1D C 1.1483(4) 0.0622(2) 0.8907(2) 0.0717(17) Uani 1 1 d . . . . .
H1DA H 1.1491 0.0298 0.8719 0.108 Uiso 1 1 calc GR . . . .
H1DB H 1.1243 0.0549 0.9219 0.108 Uiso 1 1 calc GR . . . .
H1DC H 1.2091 0.0759 0.8954 0.108 Uiso 1 1 calc GR . . . .
C2 C 0.7351(3) 0.1500(2) 0.81803(19) 0.0580(13) Uani 1 1 d D U . . .
C2' C 1.0960(3) 0.30276(16) 0.88437(17) 0.0416(10) Uani 1 1 d . . . . .
H2' H 1.0923 0.2704 0.9044 0.050 Uiso 1 1 calc R . . . .
C3 C 0.8229(3) 0.13359(19) 0.82098(18) 0.0527(12) Uani 1 1 d . . . . .
H3 H 0.8370 0.0988 0.8121 0.063 Uiso 1 1 calc R . . . .
C3' C 1.2483(3) 0.37691(16) 0.95848(18) 0.0456(11) Uani 1 1 d . . . . .
H3' H 1.2752 0.3875 0.9885 0.055 Uiso 1 1 calc R . . . .
C3* C 1.1244(3) 0.2892(2) 0.7620(2) 0.0618(14) Uani 1 1 d . . . . .
H3* H 1.1098 0.2958 0.7291 0.074 Uiso 1 1 calc R . . . .
C4 C 0.8900(3) 0.16715(17) 0.83668(17) 0.0451(10) Uani 1 1 d . . . . .
C4' C 1.2670(3) 0.39894(17) 0.91517(19) 0.0518(12) Uani 1 1 d . . . . .
H4' H 1.3079 0.4265 0.9098 0.062 Uiso 1 1 calc R . . . .
C4* C 1.1967(3) 0.2583(2) 0.7788(2) 0.0569(13) Uani 1 1 d . . . . .
H4* H 1.2392 0.2410 0.7604 0.068 Uiso 1 1 calc R . . . .
C5 C 1.0064(3) 0.33041(16) 0.88282(17) 0.0432(10) Uani 1 1 d . . . . .
C5' C 1.2144(3) 0.37277(17) 0.88162(18) 0.0503(11) Uani 1 1 d . . . . .
H5' H 1.2111 0.3789 0.8481 0.060 Uiso 1 1 calc R . . . .
C5* C 1.1926(3) 0.25863(17) 0.82710(18) 0.0452(10) Uani 1 1 d . . . . .
H5* H 1.2323 0.2413 0.8495 0.054 Uiso 1 1 calc R . . . .
C6 C 0.9994(3) 0.38342(17) 0.89101(19) 0.0523(12) Uani 1 1 d . . . . .
H6 H 1.0522 0.4033 0.8975 0.063 Uiso 1 1 calc R . . . .
C7 C 0.9172(4) 0.40871(18) 0.8901(2) 0.0576(13) Uani 1 1 d . . . . .
C8 C 0.8419(3) 0.37812(19) 0.8809(2) 0.0568(13) Uani 1 1 d . . . . .
H8 H 0.7851 0.3946 0.8806 0.068 Uiso 1 1 calc R . . . .
C9 C 0.7602(3) 0.2920(2) 0.8638(2) 0.0579(13) Uani 1 1 d . . . . .
C10 C 0.7839(3) 0.23675(19) 0.84731(18) 0.0495(11) Uani 1 1 d . . . . .
C11 C 0.8707(3) 0.21845(17) 0.84938(17) 0.0446(10) Uani 1 1 d . . . . .
C12 C 0.9290(3) 0.30120(16) 0.87363(17) 0.0440(10) Uani 1 1 d . . . . .
C13 C 0.8454(3) 0.32436(18) 0.87213(18) 0.0484(11) Uani 1 1 d . . . . .
C14A C 0.7134(4) 0.2883(2) 0.9108(3) 0.0799(19) Uani 1 1 d . . . . .
H14D H 0.7515 0.2692 0.9344 0.120 Uiso 1 1 calc GR . . . .
H14E H 0.6567 0.2697 0.9054 0.120 Uiso 1 1 calc GR . . . .
H14F H 0.7022 0.3237 0.9228 0.120 Uiso 1 1 calc GR . . . .
C14B C 0.6989(4) 0.3193(2) 0.8252(3) 0.086(2) Uani 1 1 d . . . . .
H14A H 0.6860 0.3551 0.8356 0.130 Uiso 1 1 calc GR . . . .
H14B H 0.6430 0.2996 0.8207 0.130 Uiso 1 1 calc GR . . . .
H14C H 0.7288 0.3205 0.7950 0.130 Uiso 1 1 calc GR . . . .
C15 C 0.6605(3) 0.1128(2) 0.7996(2) 0.0692(14) Uani 1 1 d D U . . .
C17 C 0.9092(4) 0.46850(19) 0.8984(3) 0.0745(17) Uani 1 1 d . . . . .
C18A C 1.0010(5) 0.4932(2) 0.9088(3) 0.109(3) Uani 1 1 d . . . . .
H18G H 1.0258 0.4810 0.9400 0.164 Uiso 1 1 calc GR . . . .
H18H H 0.9952 0.5314 0.9092 0.164 Uiso 1 1 calc GR . . . .
H18I H 1.0408 0.4829 0.8838 0.164 Uiso 1 1 calc GR . . . .
C18B C 0.8506(5) 0.4787(2) 0.9386(3) 0.100(2) Uani 1 1 d . . . . .
H18A H 0.7913 0.4640 0.9308 0.149 Uiso 1 1 calc GR . . . .
H18B H 0.8457 0.5166 0.9436 0.149 Uiso 1 1 calc GR . . . .
H18C H 0.8764 0.4622 0.9678 0.149 Uiso 1 1 calc GR . . . .
C18C C 0.8698(6) 0.4939(3) 0.8523(3) 0.112(3) Uani 1 1 d . . . . .
H18D H 0.9105 0.4886 0.8265 0.168 Uiso 1 1 calc GR . . . .
H18E H 0.8618 0.5316 0.8575 0.168 Uiso 1 1 calc GR . . . .
H18F H 0.8120 0.4779 0.8433 0.168 Uiso 1 1 calc GR . . . .
C20 C 0.8018(4) 0.0580(2) 0.9547(2) 0.0721(16) Uani 1 1 d . . . . .
H20 H 0.7586 0.0354 0.9357 0.087 Uiso 1 1 calc R . . . .
C21 C 0.8680(4) 0.0308(2) 0.9799(2) 0.0692(16) Uani 1 1 d . . . . .
H21 H 0.8651 -0.0081 0.9756 0.083 Uiso 1 1 calc R . . . .
C22 C 0.9113(4) 0.0482(3) 1.0265(3) 0.088(2) Uani 1 1 d . . . . .
H22A H 0.8637 0.0576 1.0481 0.106 Uiso 1 1 calc R . . . .
H22B H 0.9442 0.0180 1.0410 0.106 Uiso 1 1 calc R . . . .
C23 C 0.9741(6) 0.0933(2) 1.0246(3) 0.103(3) Uani 1 1 d . . . . .
H23A H 1.0342 0.0812 1.0359 0.124 Uiso 1 1 calc R . . . .
H23B H 0.9554 0.1204 1.0474 0.124 Uiso 1 1 calc R . . . .
C24 C 0.9807(4) 0.11848(19) 0.9765(2) 0.0663(15) Uani 1 1 d . . . . .
H24 H 1.0415 0.1325 0.9709 0.080 Uiso 1 1 calc R . . . .
C25 C 0.9116(4) 0.14683(19) 0.9529(2) 0.0603(13) Uani 1 1 d . . . . .
H25 H 0.9326 0.1770 0.9337 0.072 Uiso 1 1 calc R . . . .
C26 C 0.8198(5) 0.1541(3) 0.9705(3) 0.101(2) Uani 1 1 d . . . . .
H26A H 0.8258 0.1679 1.0035 0.121 Uiso 1 1 calc R . . . .
H26B H 0.7888 0.1811 0.9504 0.121 Uiso 1 1 calc R . . . .
C27 C 0.7643(5) 0.1085(3) 0.9705(3) 0.106(3) Uani 1 1 d . . . . .
H27A H 0.7101 0.1158 0.9499 0.127 Uiso 1 1 calc R . . . .
H27B H 0.7449 0.1036 1.0035 0.127 Uiso 1 1 calc R . . . .
C30 C 1.0032(3) 0.27569(17) 0.9954(2) 0.0499(11) Uani 1 1 d . . . . .
H30 H 0.9859 0.2627 0.9625 0.060 Uiso 1 1 calc R . . . .
C31 C 1.0419(3) 0.23729(17) 1.02623(18) 0.0492(11) Uani 1 1 d . . . . .
H31 H 1.0440 0.2005 1.0141 0.059 Uiso 1 1 calc R . . . .
C32 C 1.0897(3) 0.24882(17) 1.06954(18) 0.0498(11) Uani 1 1 d . . . . .
H32 H 1.1268 0.2194 1.0833 0.060 Uiso 1 1 calc R . . . .
C33 C 1.0601(3) 0.28890(18) 1.10578(19) 0.0544(12) Uani 1 1 d . . . . .
H33A H 0.9943 0.2921 1.1032 0.065 Uiso 1 1 calc R . . . .
H33B H 1.0778 0.2767 1.1385 0.065 Uiso 1 1 calc R . . . .
C34 C 1.1019(3) 0.34227(18) 1.09725(18) 0.0498(11) Uani 1 1 d . . . . .
H34 H 1.0638 0.3695 1.1118 0.060 Uiso 1 1 calc R . . . .
C35 C 1.1030(3) 0.35324(16) 1.04424(18) 0.0477(11) Uani 1 1 d . . . . .
H35 H 1.1469 0.3820 1.0394 0.057 Uiso 1 1 calc R . . . .
C36 C 1.0131(3) 0.36995(18) 1.0209(2) 0.0579(13) Uani 1 1 d . . . . .
H36A H 0.9842 0.3949 1.0423 0.070 Uiso 1 1 calc R . . . .
H36B H 1.0232 0.3884 0.9905 0.070 Uiso 1 1 calc R . . . .
C37 C 0.9509(3) 0.3237(2) 1.0106(2) 0.0588(13) Uani 1 1 d . . . . .
H37A H 0.9061 0.3332 0.9848 0.071 Uiso 1 1 calc R . . . .
H37B H 0.9189 0.3153 1.0396 0.071 Uiso 1 1 calc R . . . .
C167 C 0.6403(19) 0.0756(9) 0.8390(7) 0.084(6) Uani 0.3 1 d D U . A 3
H16D H 0.6898 0.0508 0.8441 0.126 Uiso 0.3 1 calc GR . . A 3
H16E H 0.5854 0.0564 0.8301 0.126 Uiso 0.3 1 calc GR . . A 3
H16F H 0.6325 0.0954 0.8685 0.126 Uiso 0.3 1 calc GR . . A 3
C168 C 0.678(2) 0.100(2) 0.7491(7) 0.067(2) Uani 0.3 1 d D U . A 3
H16G H 0.6788 0.1324 0.7304 0.101 Uiso 0.3 1 calc GR . . A 3
H16H H 0.6302 0.0771 0.7358 0.101 Uiso 0.3 1 calc GR . . A 3
H16I H 0.7352 0.0821 0.7479 0.101 Uiso 0.3 1 calc GR . . A 3
C169 C 0.5696(11) 0.1441(10) 0.7967(11) 0.073(6) Uani 0.3 1 d D U . A 3
H16A H 0.5566 0.1566 0.8287 0.109 Uiso 0.3 1 calc GR . . A 3
H16B H 0.5214 0.1210 0.7846 0.109 Uiso 0.3 1 calc GR . . A 3
H16C H 0.5744 0.1741 0.7752 0.109 Uiso 0.3 1 calc GR . . A 3
C163 C 0.5876(11) 0.1113(9) 0.8325(6) 0.059(4) Uani 0.3 1 d D U . A 1
H1AA H 0.6104 0.0987 0.8639 0.088 Uiso 0.3 1 calc GR . . A 1
H1AB H 0.5406 0.0877 0.8197 0.088 Uiso 0.3 1 calc GR . . A 1
H1AC H 0.5630 0.1466 0.8358 0.088 Uiso 0.3 1 calc GR . . A 1
C165 C 0.6655(17) 0.0994(16) 0.7487(5) 0.067(2) Uani 0.4 1 d D U . A 2
H4AA H 0.6578 0.1313 0.7293 0.101 Uiso 0.4 1 calc GR . . A 2
H4AB H 0.6182 0.0744 0.7394 0.101 Uiso 0.4 1 calc GR . . A 2
H4AC H 0.7237 0.0838 0.7434 0.101 Uiso 0.4 1 calc GR . . A 2
C0BA C 0.5467(9) 0.3060(7) 0.7144(6) 0.086(4) Uani 0.4 1 d . U . . .
H0BA H 0.5947 0.2848 0.7305 0.103 Uiso 0.4 1 calc R . . . .
H0BB H 0.5038 0.2826 0.6967 0.103 Uiso 0.4 1 calc R . . . .
C1BA C 0.5000 0.3424(9) 0.7500 0.078(4) Uani 0.4 2 d S TU P . .
H1BA H 0.5444 0.3650 0.7674 0.093 Uiso 0.4 1 calc R . . . .
H1BB H 0.4556 0.3650 0.7326 0.093 Uiso 0.4 1 calc R . . . .
C9AA C 0.5803(13) 0.3445(8) 0.6849(8) 0.106(5) Uani 0.4 1 d . U . . .
H9AA H 0.5324 0.3575 0.6628 0.159 Uiso 0.4 1 calc GR . . . .
H9AB H 0.6280 0.3296 0.6666 0.159 Uiso 0.4 1 calc GR . . . .
H9AC H 0.6041 0.3736 0.7046 0.159 Uiso 0.4 1 calc GR . . . .
C164 C 0.6737(10) 0.0592(6) 0.8281(6) 0.075(4) Uani 0.4 1 d D U . A 2
H3AA H 0.7276 0.0416 0.8182 0.113 Uiso 0.4 1 calc GR . . A 2
H3AB H 0.6219 0.0366 0.8212 0.113 Uiso 0.4 1 calc GR . . A 2
H3AC H 0.6796 0.0665 0.8625 0.113 Uiso 0.4 1 calc GR . . A 2
C161 C 0.6997(11) 0.0589(6) 0.7846(9) 0.083(5) Uani 0.3 1 d D U . A 1
H0AA H 0.7457 0.0647 0.7617 0.124 Uiso 0.3 1 calc GR . . A 1
H0AB H 0.6519 0.0373 0.7697 0.124 Uiso 0.3 1 calc GR . . A 1
H0AC H 0.7259 0.0410 0.8129 0.124 Uiso 0.3 1 calc GR . . A 1
C162 C 0.6250(10) 0.1357(7) 0.7501(5) 0.067(2) Uani 0.3 1 d D U . A 1
H2AA H 0.5991 0.1704 0.7549 0.101 Uiso 0.3 1 calc GR . . A 1
H2AB H 0.5794 0.1122 0.7356 0.101 Uiso 0.3 1 calc GR . . A 1
H2AC H 0.6745 0.1387 0.7288 0.101 Uiso 0.3 1 calc GR . . A 1
C166 C 0.5666(10) 0.1276(11) 0.8125(9) 0.086(6) Uani 0.4 1 d D U . A 2
H5AA H 0.5676 0.1387 0.8461 0.129 Uiso 0.4 1 calc GR . . A 2
H5AB H 0.5271 0.0973 0.8078 0.129 Uiso 0.4 1 calc GR . . A 2
H5AC H 0.5447 0.1565 0.7920 0.129 Uiso 0.4 1 calc GR . . A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 Cl2 2.6348(11) 7_757 ?
Rh1 Cl2 2.4842(12) . ?
Rh1 N2 2.155(4) . ?
Rh1 C30 2.147(4) . ?
Rh1 C31 2.083(4) . ?
Rh1 C32 2.173(5) . ?
Rh1 C35 2.054(4) . ?
Rh2 Cl1 2.3688(15) . ?
Rh2 C1A 2.023(5) . ?
Rh2 C20 2.190(5) . ?
Rh2 C21 2.222(5) . ?
Rh2 C24 2.085(5) . ?
Rh2 C25 2.100(5) . ?
Cl2 Rh1 2.6349(11) 7_757 ?
O1 C11 1.386(5) . ?
O1 C12 1.376(5) . ?
O2 H2 0.8400 . ?
O2 C34 1.418(6) . ?
N1 N2 1.354(5) . ?
N1 C2' 1.483(5) . ?
N1 C5' 1.345(6) . ?
N2 C3' 1.338(5) . ?
N3 N4 1.357(5) . ?
N3 C2' 1.445(6) . ?
N3 C5* 1.347(6) . ?
N4 C3* 1.329(7) . ?
N5 C1A 1.371(6) . ?
N5 C1B 1.389(6) . ?
N5 C4 1.427(6) . ?
N6 C1A 1.344(6) . ?
N6 C1C 1.376(6) . ?
N6 C1D 1.469(6) . ?
C1 H1 0.9500 . ?
C1 C2 1.383(7) . ?
C1 C10 1.411(6) . ?
C1B H1B 0.9500 . ?
C1B C1C 1.339(7) . ?
C1C H1C 0.9500 . ?
C1D H1DA 0.9800 . ?
C1D H1DB 0.9800 . ?
C1D H1DC 0.9800 . ?
C2 C3 1.381(7) . ?
C2 C15 1.535(6) . ?
C2' H2' 1.0000 . ?
C2' C5 1.517(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.377(6) . ?
C3' H3' 0.9500 . ?
C3' C4' 1.379(7) . ?
C3* H3* 0.9500 . ?
C3* C4* 1.401(7) . ?
C4 C11 1.391(6) . ?
C4' H4' 0.9500 . ?
C4' C5' 1.368(6) . ?
C4* H4* 0.9500 . ?
C4* C5* 1.358(7) . ?
C5 C6 1.377(6) . ?
C5 C12 1.393(6) . ?
C5' H5' 0.9500 . ?
C5* H5* 0.9500 . ?
C6 H6 0.9500 . ?
C6 C7 1.391(7) . ?
C7 C8 1.387(7) . ?
C7 C17 1.549(6) . ?
C8 H8 0.9500 . ?
C8 C13 1.395(7) . ?
C9 C10 1.531(7) . ?
C9 C13 1.529(6) . ?
C9 C14A 1.529(8) . ?
C9 C14B 1.544(8) . ?
C10 C11 1.383(6) . ?
C12 C13 1.386(6) . ?
C14A H14D 0.9800 . ?
C14A H14E 0.9800 . ?
C14A H14F 0.9800 . ?
C14B H14A 0.9800 . ?
C14B H14B 0.9800 . ?
C14B H14C 0.9800 . ?
C15 C167 1.497(13) . ?
C15 C168 1.486(13) . ?
C15 C169 1.581(13) . ?
C15 C163 1.469(12) . ?
C15 C165 1.472(12) . ?
C15 C164 1.589(12) . ?
C15 C161 1.561(12) . ?
C15 C162 1.571(12) . ?
C15 C166 1.523(12) . ?
C17 C18A 1.529(9) . ?
C17 C18B 1.487(9) . ?
C17 C18C 1.535(10) . ?
C18A H18G 0.9800 . ?
C18A H18H 0.9800 . ?
C18A H18I 0.9800 . ?
C18B H18A 0.9800 . ?
C18B H18B 0.9800 . ?
C18B H18C 0.9800 . ?
C18C H18D 0.9800 . ?
C18C H18E 0.9800 . ?
C18C H18F 0.9800 . ?
C20 H20 1.0000 . ?
C20 C21 1.373(8) . ?
C20 C27 1.483(9) . ?
C21 H21 1.0000 . ?
C21 C22 1.494(9) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.492(9) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.500(9) . ?
C24 H24 1.0000 . ?
C24 C25 1.401(7) . ?
C25 H25 1.0000 . ?
C25 C26 1.500(8) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C27 1.432(10) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C30 H30 1.0000 . ?
C30 C31 1.410(7) . ?
C30 C37 1.527(6) . ?
C31 H31 1.0000 . ?
C31 C32 1.406(7) . ?
C32 H32 1.0000 . ?
C32 C33 1.523(6) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C33 C34 1.523(6) . ?
C34 H34 1.0000 . ?
C34 C35 1.511(7) . ?
C35 H35 1.0000 . ?
C35 C36 1.528(6) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C36 C37 1.523(7) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C167 H16D 0.9800 . ?
C167 H16E 0.9800 . ?
C167 H16F 0.9800 . ?
C168 H16G 0.9800 . ?
C168 H16H 0.9800 . ?
C168 H16I 0.9800 . ?
C169 H16A 0.9800 . ?
C169 H16B 0.9800 . ?
C169 H16C 0.9800 . ?
C163 H1AA 0.9800 . ?
C163 H1AB 0.9800 . ?
C163 H1AC 0.9800 . ?
C165 H4AA 0.9800 . ?
C165 H4AB 0.9800 . ?
C165 H4AC 0.9800 . ?
C0BA H0BA 0.9900 . ?
C0BA H0BB 0.9900 . ?
C0BA C1BA 1.56(2) . ?
C0BA C9AA 1.40(2) . ?
C1BA C0BA 1.56(2) 2_656 ?
C1BA H1BA 0.9900 . ?
C1BA H1BB 0.9900 . ?
C9AA H9AA 0.9800 . ?
C9AA H9AB 0.9800 . ?
C9AA H9AC 0.9800 . ?
C164 H3AA 0.9800 . ?
C164 H3AB 0.9800 . ?
C164 H3AC 0.9800 . ?
C161 H0AA 0.9800 . ?
C161 H0AB 0.9800 . ?
C161 H0AC 0.9800 . ?
C162 H2AA 0.9800 . ?
C162 H2AB 0.9800 . ?
C162 H2AC 0.9800 . ?
C166 H5AA 0.9800 . ?
C166 H5AB 0.9800 . ?
C166 H5AC 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl2 Rh1 Cl2 84.80(4) . 7_757 ?
N2 Rh1 Cl2 86.14(9) . . ?
N2 Rh1 Cl2 87.41(9) . 7_757 ?
N2 Rh1 C32 170.13(15) . . ?
C30 Rh1 Cl2 97.75(13) . 7_757 ?
C30 Rh1 Cl2 166.27(15) . . ?
C30 Rh1 N2 107.41(16) . . ?
C30 Rh1 C32 70.17(19) . . ?
C31 Rh1 Cl2 84.88(13) . 7_757 ?
C31 Rh1 Cl2 128.65(14) . . ?
C31 Rh1 N2 143.24(17) . . ?
C31 Rh1 C30 38.89(18) . . ?
C31 Rh1 C32 38.49(18) . . ?
C32 Rh1 Cl2 96.10(14) . . ?
C32 Rh1 Cl2 102.34(12) . 7_757 ?
C35 Rh1 Cl2 175.95(14) . 7_757 ?
C35 Rh1 Cl2 95.08(13) . . ?
C35 Rh1 N2 88.54(17) . . ?
C35 Rh1 C30 83.33(18) . . ?
C35 Rh1 C31 98.30(18) . . ?
C35 Rh1 C32 81.70(18) . . ?
C1A Rh2 Cl1 89.89(13) . . ?
C1A Rh2 C20 156.0(2) . . ?
C1A Rh2 C21 167.3(2) . . ?
C1A Rh2 C24 91.8(2) . . ?
C1A Rh2 C25 88.5(2) . . ?
C20 Rh2 Cl1 93.81(18) . . ?
C20 Rh2 C21 36.3(2) . . ?
C21 Rh2 Cl1 92.13(17) . . ?
C24 Rh2 Cl1 156.54(16) . . ?
C24 Rh2 C20 94.1(3) . . ?
C24 Rh2 C21 81.4(2) . . ?
C24 Rh2 C25 39.1(2) . . ?
C25 Rh2 Cl1 164.35(16) . . ?
C25 Rh2 C20 81.6(2) . . ?
C25 Rh2 C21 92.9(2) . . ?
Rh1 Cl2 Rh1 95.20(4) . 7_757 ?
C12 O1 C11 118.2(3) . . ?
C34 O2 H2 109.5 . . ?
N2 N1 C2' 121.5(3) . . ?
C5' N1 N2 111.7(3) . . ?
C5' N1 C2' 126.4(4) . . ?
N1 N2 Rh1 129.3(2) . . ?
C3' N2 Rh1 125.9(3) . . ?
C3' N2 N1 104.5(4) . . ?
N4 N3 C2' 120.9(4) . . ?
C5* N3 N4 112.7(4) . . ?
C5* N3 C2' 126.2(4) . . ?
C3* N4 N3 103.4(4) . . ?
C1A N5 C1B 110.7(4) . . ?
C1A N5 C4 123.4(4) . . ?
C1B N5 C4 125.8(4) . . ?
C1A N6 C1C 111.7(4) . . ?
C1A N6 C1D 123.4(4) . . ?
C1C N6 C1D 124.8(4) . . ?
C2 C1 H1 118.4 . . ?
C2 C1 C10 123.2(4) . . ?
C10 C1 H1 118.4 . . ?
N5 C1A Rh2 125.2(3) . . ?
N6 C1A Rh2 130.8(4) . . ?
N6 C1A N5 103.9(4) . . ?
N5 C1B H1B 126.8 . . ?
C1C C1B N5 106.4(4) . . ?
C1C C1B H1B 126.8 . . ?
N6 C1C H1C 126.4 . . ?
C1B C1C N6 107.2(4) . . ?
C1B C1C H1C 126.4 . . ?
N6 C1D H1DA 109.5 . . ?
N6 C1D H1DB 109.5 . . ?
N6 C1D H1DC 109.5 . . ?
H1DA C1D H1DB 109.5 . . ?
H1DA C1D H1DC 109.5 . . ?
H1DB C1D H1DC 109.5 . . ?
C1 C2 C15 121.5(4) . . ?
C3 C2 C1 117.9(4) . . ?
C3 C2 C15 120.6(5) . . ?
N1 C2' H2' 108.9 . . ?
N1 C2' C5 111.6(3) . . ?
N3 C2' N1 106.5(3) . . ?
N3 C2' H2' 108.9 . . ?
N3 C2' C5 112.0(4) . . ?
C5 C2' H2' 108.9 . . ?
C2 C3 H3 119.6 . . ?
C4 C3 C2 120.7(5) . . ?
C4 C3 H3 119.6 . . ?
N2 C3' H3' 124.3 . . ?
N2 C3' C4' 111.4(4) . . ?
C4' C3' H3' 124.3 . . ?
N4 C3* H3* 123.9 . . ?
N4 C3* C4* 112.2(5) . . ?
C4* C3* H3* 123.9 . . ?
C3 C4 N5 119.4(4) . . ?
C3 C4 C11 120.5(4) . . ?
C11 C4 N5 120.1(4) . . ?
C3' C4' H4' 127.3 . . ?
C5' C4' C3' 105.5(4) . . ?
C5' C4' H4' 127.3 . . ?
C3* C4* H4* 127.6 . . ?
C5* C4* C3* 104.7(5) . . ?
C5* C4* H4* 127.6 . . ?
C6 C5 C2' 121.9(4) . . ?
C6 C5 C12 119.1(4) . . ?
C12 C5 C2' 119.1(4) . . ?
N1 C5' C4' 106.9(4) . . ?
N1 C5' H5' 126.5 . . ?
C4' C5' H5' 126.5 . . ?
N3 C5* C4* 107.0(4) . . ?
N3 C5* H5* 126.5 . . ?
C4* C5* H5* 126.5 . . ?
C5 C6 H6 119.1 . . ?
C5 C6 C7 121.9(4) . . ?
C7 C6 H6 119.1 . . ?
C6 C7 C17 122.0(5) . . ?
C8 C7 C6 117.2(4) . . ?
C8 C7 C17 120.8(5) . . ?
C7 C8 H8 118.4 . . ?
C7 C8 C13 123.2(4) . . ?
C13 C8 H8 118.4 . . ?
C10 C9 C14B 110.1(4) . . ?
C13 C9 C10 109.7(4) . . ?
C13 C9 C14B 109.0(5) . . ?
C14A C9 C10 109.1(5) . . ?
C14A C9 C13 108.7(4) . . ?
C14A C9 C14B 110.2(5) . . ?
C1 C10 C9 121.2(4) . . ?
C11 C10 C1 116.6(4) . . ?
C11 C10 C9 122.2(4) . . ?
O1 C11 C4 115.9(4) . . ?
C10 C11 O1 123.0(4) . . ?
C10 C11 C4 121.1(4) . . ?
O1 C12 C5 114.7(4) . . ?
O1 C12 C13 123.7(4) . . ?
C13 C12 C5 121.5(4) . . ?
C8 C13 C9 121.2(4) . . ?
C12 C13 C8 117.2(4) . . ?
C12 C13 C9 121.6(4) . . ?
C9 C14A H14D 109.5 . . ?
C9 C14A H14E 109.5 . . ?
C9 C14A H14F 109.5 . . ?
H14D C14A H14E 109.5 . . ?
H14D C14A H14F 109.5 . . ?
H14E C14A H14F 109.5 . . ?
C9 C14B H14A 109.5 . . ?
C9 C14B H14B 109.5 . . ?
C9 C14B H14C 109.5 . . ?
H14A C14B H14B 109.5 . . ?
H14A C14B H14C 109.5 . . ?
H14B C14B H14C 109.5 . . ?
C2 C15 C169 108.5(12) . . ?
C2 C15 C164 107.1(7) . . ?
C2 C15 C161 110.9(7) . . ?
C2 C15 C162 105.8(7) . . ?
C167 C15 C2 108.6(10) . . ?
C167 C15 C169 98.5(15) . . ?
C168 C15 C2 107.1(18) . . ?
C168 C15 C167 128(3) . . ?
C168 C15 C169 105(2) . . ?
C163 C15 C2 111.2(9) . . ?
C163 C15 C161 116.8(13) . . ?
C163 C15 C162 109.5(10) . . ?
C165 C15 C2 113.2(13) . . ?
C165 C15 C164 106.0(17) . . ?
C165 C15 C166 112.5(13) . . ?
C161 C15 C162 101.8(11) . . ?
C166 C15 C2 115.8(12) . . ?
C166 C15 C164 100.7(12) . . ?
C18A C17 C7 110.9(5) . . ?
C18A C17 C18C 106.7(6) . . ?
C18B C17 C7 109.9(5) . . ?
C18B C17 C18A 110.4(6) . . ?
C18B C17 C18C 110.3(6) . . ?
C18C C17 C7 108.6(5) . . ?
C17 C18A H18G 109.5 . . ?
C17 C18A H18H 109.5 . . ?
C17 C18A H18I 109.5 . . ?
H18G C18A H18H 109.5 . . ?
H18G C18A H18I 109.5 . . ?
H18H C18A H18I 109.5 . . ?
C17 C18B H18A 109.5 . . ?
C17 C18B H18B 109.5 . . ?
C17 C18B H18C 109.5 . . ?
H18A C18B H18B 109.5 . . ?
H18A C18B H18C 109.5 . . ?
H18B C18B H18C 109.5 . . ?
C17 C18C H18D 109.5 . . ?
C17 C18C H18E 109.5 . . ?
C17 C18C H18F 109.5 . . ?
H18D C18C H18E 109.5 . . ?
H18D C18C H18F 109.5 . . ?
H18E C18C H18F 109.5 . . ?
Rh2 C20 H20 114.4 . . ?
C21 C20 Rh2 73.1(3) . . ?
C21 C20 H20 114.4 . . ?
C21 C20 C27 124.2(7) . . ?
C27 C20 Rh2 108.8(4) . . ?
C27 C20 H20 114.4 . . ?
Rh2 C21 H21 114.5 . . ?
C20 C21 Rh2 70.6(3) . . ?
C20 C21 H21 114.5 . . ?
C20 C21 C22 124.4(6) . . ?
C22 C21 Rh2 110.1(4) . . ?
C22 C21 H21 114.5 . . ?
C21 C22 H22A 108.2 . . ?
C21 C22 H22B 108.2 . . ?
H22A C22 H22B 107.3 . . ?
C23 C22 C21 116.4(6) . . ?
C23 C22 H22A 108.2 . . ?
C23 C22 H22B 108.2 . . ?
C22 C23 H23A 108.3 . . ?
C22 C23 H23B 108.3 . . ?
C22 C23 C24 115.8(6) . . ?
H23A C23 H23B 107.4 . . ?
C24 C23 H23A 108.3 . . ?
C24 C23 H23B 108.3 . . ?
Rh2 C24 H24 113.6 . . ?
C23 C24 Rh2 113.9(4) . . ?
C23 C24 H24 113.6 . . ?
C25 C24 Rh2 71.0(3) . . ?
C25 C24 C23 124.1(6) . . ?
C25 C24 H24 113.6 . . ?
Rh2 C25 H25 113.8 . . ?
C24 C25 Rh2 69.9(3) . . ?
C24 C25 H25 113.8 . . ?
C24 C25 C26 125.5(6) . . ?
C26 C25 Rh2 111.9(4) . . ?
C26 C25 H25 113.8 . . ?
C25 C26 H26A 108.2 . . ?
C25 C26 H26B 108.2 . . ?
H26A C26 H26B 107.3 . . ?
C27 C26 C25 116.5(6) . . ?
C27 C26 H26A 108.2 . . ?
C27 C26 H26B 108.2 . . ?
C20 C27 H27A 107.7 . . ?
C20 C27 H27B 107.7 . . ?
C26 C27 C20 118.3(6) . . ?
C26 C27 H27A 107.7 . . ?
C26 C27 H27B 107.7 . . ?
H27A C27 H27B 107.1 . . ?
Rh1 C30 H30 114.2 . . ?
C31 C30 Rh1 68.1(3) . . ?
C31 C30 H30 114.2 . . ?
C31 C30 C37 126.1(5) . . ?
C37 C30 Rh1 110.6(3) . . ?
C37 C30 H30 114.2 . . ?
Rh1 C31 H31 117.7 . . ?
C30 C31 Rh1 73.0(3) . . ?
C30 C31 H31 117.7 . . ?
C32 C31 Rh1 74.2(3) . . ?
C32 C31 C30 123.8(4) . . ?
C32 C31 H31 117.7 . . ?
Rh1 C32 H32 115.0 . . ?
C31 C32 Rh1 67.3(3) . . ?
C31 C32 H32 115.0 . . ?
C31 C32 C33 124.1(4) . . ?
C33 C32 Rh1 110.5(3) . . ?
C33 C32 H32 115.0 . . ?
C32 C33 H33A 109.4 . . ?
C32 C33 H33B 109.4 . . ?
H33A C33 H33B 108.0 . . ?
C34 C33 C32 111.0(4) . . ?
C34 C33 H33A 109.4 . . ?
C34 C33 H33B 109.4 . . ?
O2 C34 C33 110.5(4) . . ?
O2 C34 H34 107.9 . . ?
O2 C34 C35 112.2(4) . . ?
C33 C34 H34 107.9 . . ?
C35 C34 C33 110.2(4) . . ?
C35 C34 H34 107.9 . . ?
Rh1 C35 H35 108.1 . . ?
C34 C35 Rh1 110.3(3) . . ?
C34 C35 H35 108.1 . . ?
C34 C35 C36 114.5(4) . . ?
C36 C35 Rh1 107.4(3) . . ?
C36 C35 H35 108.1 . . ?
C35 C36 H36A 109.1 . . ?
C35 C36 H36B 109.1 . . ?
H36A C36 H36B 107.8 . . ?
C37 C36 C35 112.5(4) . . ?
C37 C36 H36A 109.1 . . ?
C37 C36 H36B 109.1 . . ?
C30 C37 H37A 109.5 . . ?
C30 C37 H37B 109.5 . . ?
C36 C37 C30 110.8(4) . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 108.1 . . ?
C15 C167 H16D 109.5 . . ?
C15 C167 H16E 109.5 . . ?
C15 C167 H16F 109.5 . . ?
H16D C167 H16E 109.5 . . ?
H16D C167 H16F 109.5 . . ?
H16E C167 H16F 109.5 . . ?
C15 C168 H16G 109.5 . . ?
C15 C168 H16H 109.5 . . ?
C15 C168 H16I 109.5 . . ?
H16G C168 H16H 109.5 . . ?
H16G C168 H16I 109.5 . . ?
H16H C168 H16I 109.5 . . ?
C15 C169 H16A 109.5 . . ?
C15 C169 H16B 109.5 . . ?
C15 C169 H16C 109.5 . . ?
H16A C169 H16B 109.5 . . ?
H16A C169 H16C 109.5 . . ?
H16B C169 H16C 109.5 . . ?
C15 C163 H1AA 109.5 . . ?
C15 C163 H1AB 109.5 . . ?
C15 C163 H1AC 109.5 . . ?
H1AA C163 H1AB 109.5 . . ?
H1AA C163 H1AC 109.5 . . ?
H1AB C163 H1AC 109.5 . . ?
C15 C165 H4AA 109.5 . . ?
C15 C165 H4AB 109.5 . . ?
C15 C165 H4AC 109.5 . . ?
H4AA C165 H4AB 109.5 . . ?
H4AA C165 H4AC 109.5 . . ?
H4AB C165 H4AC 109.5 . . ?
H0BA C0BA H0BB 109.7 . . ?
C1BA C0BA H0BA 112.1 . . ?
C1BA C0BA H0BB 112.1 . . ?
C9AA C0BA H0BA 112.1 . . ?
C9AA C0BA H0BB 112.1 . . ?
C9AA C0BA C1BA 98.5(15) . . ?
C0BA C1BA C0BA 106.8(19) 2_656 . ?
C0BA C1BA H1BA 110.4 2_656 . ?
C0BA C1BA H1BA 110.4 . . ?
C0BA C1BA H1BB 110.4 . . ?
C0BA C1BA H1BB 110.4 2_656 . ?
H1BA C1BA H1BB 108.6 . . ?
C0BA C9AA H9AA 109.5 . . ?
C0BA C9AA H9AB 109.5 . . ?
C0BA C9AA H9AC 109.5 . . ?
H9AA C9AA H9AB 109.5 . . ?
H9AA C9AA H9AC 109.5 . . ?
H9AB C9AA H9AC 109.5 . . ?
C15 C164 H3AA 109.5 . . ?
C15 C164 H3AB 109.5 . . ?
C15 C164 H3AC 109.5 . . ?
H3AA C164 H3AB 109.5 . . ?
H3AA C164 H3AC 109.5 . . ?
H3AB C164 H3AC 109.5 . . ?
C15 C161 H0AA 109.5 . . ?
C15 C161 H0AB 109.5 . . ?
C15 C161 H0AC 109.5 . . ?
H0AA C161 H0AB 109.5 . . ?
H0AA C161 H0AC 109.5 . . ?
H0AB C161 H0AC 109.5 . . ?
C15 C162 H2AA 109.5 . . ?
C15 C162 H2AB 109.5 . . ?
C15 C162 H2AC 109.5 . . ?
H2AA C162 H2AB 109.5 . . ?
H2AA C162 H2AC 109.5 . . ?
H2AB C162 H2AC 109.5 . . ?
C15 C166 H5AA 109.5 . . ?
C15 C166 H5AB 109.5 . . ?
C15 C166 H5AC 109.5 . . ?
H5AA C166 H5AB 109.5 . . ?
H5AA C166 H5AC 109.5 . . ?
H5AB C166 H5AC 109.5 . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.252 0.044 0.250 312.2 57.8 ?
2 -0.295 -0.044 0.750 312.2 57.8 ?
3 -0.414 0.456 0.750 312.2 57.8 ?
4 -0.442 0.544 0.250 312.2 57.8 ?


_olex2_submission_special_instructions 'No special instructions were received'
