# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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. 
# 
#######################################################################

data_p21c
_database_code_depnum_ccdc_archive 'CCDC 2132803'
loop_
_audit_author_name
_audit_author_address
'li long dang'
;luoyang normal university
China
;
_audit_update_record             
;
2022-01-06 deposited with the CCDC.	2022-04-05 downloaded from the CCDC.
;
_audit_creation_date             2021-09-19
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.08.20 svn.r13c46975 for OlexSys, GUI svn.r6396)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C116 H116 N12 Rh4, 2(C F3 O3 S), 5[CF3SO3]'
_chemical_formula_sum            'C123 H116 F21 N12 O21 Rh4 S7'
_chemical_formula_weight         3133.33
_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 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   24.6083(8)
_cell_length_b                   12.7106(5)
_cell_length_c                   23.5913(8)
_cell_angle_alpha                90
_cell_angle_beta                 114.206(4)
_cell_angle_gamma                90
_cell_volume                     6730.2(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8333
_cell_measurement_temperature    249.99(10)
_cell_measurement_theta_max      72.8690
_cell_measurement_theta_min      3.9260
_shelx_estimated_absorpt_T_max   0.570
_shelx_estimated_absorpt_T_min   0.499
_exptl_absorpt_coefficient_mu    5.766
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.46257
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.546
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3174
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0698
_diffrn_reflns_av_unetI/netI     0.0861
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.968
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            28919
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         74.311
_diffrn_reflns_theta_min         3.758
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      249.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2684
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -67.00  12.00   1.00    2.26    --  -40.73  57.00-120.00   79
  2  ω      1.00  49.00   1.00    2.26    --   40.73 -99.00 -60.00   48
  3  ω     35.00 133.00   1.00    4.00    --  107.58 -45.00 -90.00   98
  4  ω     95.00 172.00   1.00    4.00    --  107.58  30.00   0.00   77
  5  ω    103.00 176.00   1.00    4.00    --  107.58 125.00-120.00   73
  6  ω     98.00 178.00   1.00    4.00    --  107.58 125.00 -60.00   80
  7  ω    142.00 177.00   1.00    4.00    --  107.58 125.00 120.00   35
  8  ω     51.00 138.00   1.00    4.00    --  107.58 -77.00-180.00   87
  9  ω     49.00  99.00   1.00    4.00    --  107.58-125.00  90.00   50
 10  ω   -117.00  -8.00   1.00    2.26    --  -40.73 -77.00  90.00  109
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0604883000
_diffrn_orient_matrix_UB_12      0.0495507000
_diffrn_orient_matrix_UB_13      -0.0415947000
_diffrn_orient_matrix_UB_21      -0.0323969000
_diffrn_orient_matrix_UB_22      -0.0969712000
_diffrn_orient_matrix_UB_23      0.0103592000
_diffrn_orient_matrix_UB_31      -0.0026876000
_diffrn_orient_matrix_UB_32      0.0531967000
_diffrn_orient_matrix_UB_33      0.0574039000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9136
_reflns_number_total             13295
_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       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.394
_refine_diff_density_min         -1.159
_refine_diff_density_rms         0.109
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     681
_refine_ls_number_reflns         13295
_refine_ls_number_restraints     1143
_refine_ls_R_factor_all          0.0945
_refine_ls_R_factor_gt           0.0737
_refine_ls_restrained_S_all      1.014
_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)+(0.1217P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2033
_refine_ls_wR_factor_ref         0.2326
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
3. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4.a Aromatic/amide H refined with riding coordinates:
 C9(H9), C11(H11), C13(H13), C16(H16), C26(H26), C28(H28), C31(H31), C32(H32),
 C35(H35), C37(H37), C40(H40), C41(H41), C45(H45), C48(H48), C51(H51), C52(H52)
4.b Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C5(H5A,H5B,H5C), C7(H7A,H7B,H7C), C21(H21A,H21B,H21C),
 C23(H23A,H23B,H23C), C25(H25A,H25B,H25C), C27(H27A,H27B,H27C), C43(H43A,H43B,
 H43C), C47(H47A,H47B,H47C), C49(H49A,H49B,H49C), C53(H53A,H53B,H53C), C55(H55A,
 H55B,H55C), C57(H57A,H57B,H57C), C59(H59A,H59B,H59C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.08181(2) 0.91360(4) 0.42183(2) 0.04744(15) Uani 1 1 d . . . . .
Rh2 Rh 0.75116(2) 0.07668(4) 0.33225(2) 0.05007(16) Uani 1 1 d . . . . .
N1 N 0.8557(2) -0.0214(4) 0.5141(2) 0.0481(10) Uani 1 1 d . U . . .
N2 N 0.8302(2) 0.1605(4) 0.38930(19) 0.0495(10) Uani 1 1 d . U . . .
N3 N 0.7827(2) -0.0216(4) 0.4152(2) 0.0503(11) Uani 1 1 d . U . . .
N4 N 0.7064(2) 0.1644(4) 0.3771(2) 0.0526(11) Uani 1 1 d . U . . .
N5 N 0.9029(2) 0.1631(5) 0.4881(2) 0.0544(12) Uani 1 1 d . U . . .
N6 N 0.15956(19) 0.8301(4) 0.4303(2) 0.0490(10) Uani 1 1 d . U . . .
C1 C 0.8326(2) 0.0196(5) 0.4573(2) 0.0484(12) Uani 1 1 d . U . . .
C2 C 0.0360(3) 0.8785(6) 0.3236(3) 0.0645(16) Uani 1 1 d . U . . .
C3 C 0.4324(4) 0.2733(7) 0.3987(4) 0.091(3) Uani 1 1 d . U . . .
H3A H 0.402514 0.257576 0.358049 0.136 Uiso 1 1 calc R U . . .
H3B H 0.421981 0.240680 0.429541 0.136 Uiso 1 1 calc R U . . .
H3C H 0.470231 0.246919 0.402247 0.136 Uiso 1 1 calc R U . . .
C4 C 0.8563(2) 0.1120(5) 0.4451(2) 0.0455(11) Uani 1 1 d . U . . .
C5 C -0.0228(4) 0.7339(8) 0.3539(3) 0.085(2) Uani 1 1 d . U . . .
H5A H 0.005047 0.683147 0.351459 0.127 Uiso 1 1 calc R U . . .
H5B H -0.059871 0.727447 0.318086 0.127 Uiso 1 1 calc R U . . .
H5C H -0.029286 0.721526 0.390824 0.127 Uiso 1 1 calc R U . . .
C6 C 0.0020(3) 0.8438(6) 0.3562(3) 0.0606(15) Uani 1 1 d . U . . .
C7 C 0.6778(6) -0.1362(10) 0.2688(5) 0.131(4) Uani 1 1 d . U . . .
H7A H 0.707341 -0.176953 0.301003 0.197 Uiso 1 1 calc R U . . .
H7B H 0.664296 -0.174293 0.230280 0.197 Uiso 1 1 calc R U . . .
H7C H 0.644790 -0.122923 0.279430 0.197 Uiso 1 1 calc R U . . .
C8 C 0.9093(3) 0.2514(6) 0.4590(3) 0.0561(13) Uani 1 1 d . U . . .
C9 C 0.9493(4) 0.3338(7) 0.4776(3) 0.0785(19) Uani 1 1 d . U . . .
H9 H 0.978521 0.336483 0.518066 0.094 Uiso 1 1 calc R U . . .
C10 C 0.8632(3) 0.2495(6) 0.3968(3) 0.0539(12) Uani 1 1 d . U . . .
C11 C 0.7218(4) -0.2468(7) 0.4722(4) 0.084(2) Uani 1 1 d . U . . .
H11 H 0.690859 -0.295387 0.460826 0.101 Uiso 1 1 calc R U . . .
C12 C 0.3886(3) 0.4465(6) 0.4117(3) 0.0562(13) Uani 1 1 d . U . . .
C13 C 0.9458(5) 0.4098(8) 0.4370(4) 0.096(2) Uani 1 1 d . U . . .
H13 H 0.973908 0.463533 0.449040 0.116 Uiso 1 1 calc R U . . .
C14 C 0.4923(3) 0.5565(6) 0.4222(3) 0.0594(14) Uani 1 1 d . U . . .
C15 C 0.0452(3) 0.9893(6) 0.3327(3) 0.0635(16) Uani 1 1 d . U . . .
C16 C 0.7065(3) 0.2679(6) 0.3756(3) 0.0628(15) Uani 1 1 d . U . . .
H16 H 0.735040 0.301323 0.365553 0.075 Uiso 1 1 calc R U . . .
C17 C 0.0127(3) 1.0219(6) 0.3686(3) 0.0674(17) Uani 1 1 d . U . . .
C18 C 0.8154(3) -0.1044(5) 0.5086(3) 0.0537(13) Uani 1 1 d . U . . .
C19 C 0.6722(4) 0.0641(9) 0.2482(3) 0.086(2) Uani 1 1 d . U . . .
C20 C 0.4881(3) 0.4461(6) 0.4152(3) 0.0621(15) Uani 1 1 d . U . . .
C21 C 0.3334(3) 0.3933(7) 0.4059(4) 0.075(2) Uani 1 1 d . U . . .
H21A H 0.324684 0.411285 0.440812 0.113 Uiso 1 1 calc R U . . .
H21B H 0.338468 0.318543 0.404911 0.113 Uiso 1 1 calc R U . . .
H21C H 0.301145 0.415436 0.368221 0.113 Uiso 1 1 calc R U . . .
C22 C 0.3460(3) 0.6110(6) 0.4256(3) 0.0583(14) Uani 1 1 d . U . . .
C23 C 0.0074(4) 1.1353(7) 0.3859(4) 0.094(3) Uani 1 1 d . U . . .
H23A H -0.020540 1.139501 0.404648 0.141 Uiso 1 1 calc R U . . .
H23B H -0.006127 1.178223 0.349229 0.141 Uiso 1 1 calc R U . . .
H23C H 0.045668 1.159807 0.414845 0.141 Uiso 1 1 calc R U . . .
C24 C 0.3945(3) 0.5573(5) 0.4205(3) 0.0533(13) Uani 1 1 d . U . . .
C25 C 0.0734(4) 1.0572(8) 0.3006(4) 0.092(3) Uani 1 1 d . U . . .
H25A H 0.080327 1.126119 0.318818 0.139 Uiso 1 1 calc R U . . .
H25B H 0.047334 1.062405 0.257251 0.139 Uiso 1 1 calc R U . . .
H25C H 0.110578 1.026723 0.304933 0.139 Uiso 1 1 calc R U . . .
C26 C 0.1622(3) 0.7256(5) 0.4376(3) 0.0538(13) Uani 1 1 d . U . . .
H26 H 0.130853 0.691124 0.442110 0.065 Uiso 1 1 calc R U . . .
C27 C -0.0493(3) 0.9329(9) 0.4202(4) 0.092(3) Uani 1 1 d . U . . .
H27A H -0.054664 0.861618 0.430382 0.139 Uiso 1 1 calc R U . . .
H27B H -0.087385 0.963868 0.396097 0.139 Uiso 1 1 calc R U . . .
H27C H -0.029489 0.972466 0.457741 0.139 Uiso 1 1 calc R U . . .
C28 C 0.2532(3) 0.8248(6) 0.4232(3) 0.0627(15) Uani 1 1 d . U . . .
H28 H 0.283846 0.861495 0.418697 0.075 Uiso 1 1 calc R U . . .
C30 C 0.7699(3) -0.1037(6) 0.4468(3) 0.0564(13) Uani 1 1 d . U . . .
C31 C 0.6678(3) 0.1170(7) 0.3959(3) 0.0679(16) Uani 1 1 d . U . . .
H31 H 0.669564 0.044284 0.400833 0.082 Uiso 1 1 calc R U . . .
C32 C 0.6661(3) 0.3302(7) 0.3883(3) 0.0734(18) Uani 1 1 d . U . . .
H32 H 0.667920 0.403242 0.387043 0.088 Uiso 1 1 calc R U . . .
C33 C 0.7040(4) -0.0360(8) 0.2620(3) 0.085(2) Uani 1 1 d . U . . .
C34 C 0.4363(3) 0.3903(6) 0.4083(3) 0.0621(15) Uani 1 1 d . U . . .
C35 C 0.7229(3) -0.1745(7) 0.4298(3) 0.0737(18) Uani 1 1 d . U . . .
H35 H 0.692481 -0.172785 0.390019 0.088 Uiso 1 1 calc R U . . .
C36 C 0.5777(3) 0.3399(7) 0.4104(3) 0.0733(18) Uani 1 1 d . U . . .
C37 C 0.8137(3) -0.1786(6) 0.5518(3) 0.0709(17) Uani 1 1 d . U . . .
H37 H 0.843260 -0.180060 0.592080 0.085 Uiso 1 1 calc R U . . .
C38 C 0.7613(4) -0.0180(7) 0.2616(3) 0.0721(17) Uani 1 1 d . U . . .
C39 C 0.7096(4) 0.1399(7) 0.2393(3) 0.0749(18) Uani 1 1 d . U . . .
C40 C 0.2043(3) 0.8782(6) 0.4228(3) 0.0626(15) Uani 1 1 d . U . . .
H40 H 0.202490 0.950748 0.417025 0.075 Uiso 1 1 calc R U . . .
C41 C 0.6254(3) 0.1729(7) 0.4082(3) 0.0734(17) Uani 1 1 d . U . . .
H41 H 0.598532 0.137906 0.420019 0.088 Uiso 1 1 calc R U . . .
C42 C 0.7640(3) 0.0838(7) 0.2470(3) 0.0666(16) Uani 1 1 d . U . . .
C43 C 0.4488(3) 0.7271(6) 0.4356(3) 0.0702(18) Uani 1 1 d . U . . .
H43A H 0.485824 0.744577 0.469456 0.105 Uiso 1 1 calc R U . . .
H43B H 0.416284 0.750712 0.444975 0.105 Uiso 1 1 calc R U . . .
H43C H 0.446672 0.760986 0.398396 0.105 Uiso 1 1 calc R U . . .
C44 C 0.6236(3) 0.2813(7) 0.4028(3) 0.0667(16) Uani 1 1 d . U . . .
C45 C 0.7675(4) -0.2486(7) 0.5335(4) 0.0802(19) Uani 1 1 d . U . . .
H45 H 0.765991 -0.298494 0.561650 0.096 Uiso 1 1 calc R U . . .
C46 C 0.2567(3) 0.7181(5) 0.4303(3) 0.0563(13) Uani 1 1 d . U . . .
C47 C 0.0600(4) 0.8102(7) 0.2877(3) 0.081(2) Uani 1 1 d . U . . .
H47A H 0.100380 0.829921 0.296891 0.122 Uiso 1 1 calc R U . . .
H47B H 0.036143 0.818692 0.244036 0.122 Uiso 1 1 calc R U . . .
H47C H 0.058831 0.737990 0.299119 0.122 Uiso 1 1 calc R U . . .
C48 C 0.8594(4) 0.3311(6) 0.3561(3) 0.0717(17) Uani 1 1 d . U . . .
H48 H 0.829726 0.332042 0.315953 0.086 Uiso 1 1 calc R U . . .
C49 C 0.6091(4) 0.0814(11) 0.2407(4) 0.127(4) Uani 1 1 d . U . . .
H49A H 0.598725 0.028993 0.263804 0.191 Uiso 1 1 calc R U . . .
H49B H 0.582675 0.076292 0.197499 0.191 Uiso 1 1 calc R U . . .
H49C H 0.605675 0.150044 0.255895 0.191 Uiso 1 1 calc R U . . .
C50 C -0.0130(3) 0.9338(7) 0.3841(3) 0.0694(17) Uani 1 1 d . U . . .
C51 C 0.9009(4) 0.4102(8) 0.3771(4) 0.092(2) Uani 1 1 d . U . . .
H51 H 0.898994 0.465497 0.350554 0.110 Uiso 1 1 calc R U . . .
C52 C 0.2097(3) 0.6671(5) 0.4385(3) 0.0577(14) Uani 1 1 d . U . . .
H52 H 0.210742 0.594722 0.444416 0.069 Uiso 1 1 calc R U . . .
C53 C 0.8079(5) -0.0993(8) 0.2708(4) 0.111(4) Uani 1 1 d . U . . .
H53A H 0.843757 -0.065582 0.273238 0.167 Uiso 1 1 calc R U . . .
H53B H 0.794118 -0.147347 0.236365 0.167 Uiso 1 1 calc R U . . .
H53C H 0.815932 -0.137064 0.308579 0.167 Uiso 1 1 calc R U . . .
C54 C 0.3061(3) 0.6600(6) 0.4292(3) 0.0627(15) Uani 1 1 d . U . . .
C55 C 0.8161(4) 0.1336(9) 0.2387(4) 0.091(3) Uani 1 1 d . U . . .
H55A H 0.810398 0.208372 0.234240 0.136 Uiso 1 1 calc R U . . .
H55B H 0.818800 0.105391 0.202149 0.136 Uiso 1 1 calc R U . . .
H55C H 0.852280 0.118677 0.274347 0.136 Uiso 1 1 calc R U . . .
C56 C 0.4449(3) 0.6118(6) 0.4264(3) 0.0551(13) Uani 1 1 d . U . . .
C57 C 0.6937(5) 0.2488(9) 0.2209(4) 0.113(4) Uani 1 1 d . U . . .
H57A H 0.676596 0.279738 0.246945 0.170 Uiso 1 1 calc R U . . .
H57B H 0.665277 0.251192 0.178361 0.170 Uiso 1 1 calc R U . . .
H57C H 0.728751 0.287354 0.225242 0.170 Uiso 1 1 calc R U . . .
C58 C 0.5370(3) 0.3884(7) 0.4130(3) 0.0741(18) Uani 1 1 d . U . . .
C59 C 0.5480(3) 0.6126(8) 0.4275(4) 0.083(2) Uani 1 1 d . U . . .
H59A H 0.578964 0.562133 0.433978 0.125 Uiso 1 1 calc R U . . .
H59B H 0.560391 0.660483 0.462030 0.125 Uiso 1 1 calc R U . . .
H59C H 0.540120 0.651135 0.389968 0.125 Uiso 1 1 calc R U . . .
S1 S 0.89764(11) 0.5665(2) 0.66914(10) 0.0931(7) Uani 1 1 d . U . . .
F1 F 0.9883(5) 0.5741(10) 0.6505(6) 0.227(5) Uani 1 1 d . U . . .
F2 F 0.9195(5) 0.4775(8) 0.5910(5) 0.204(4) Uani 1 1 d . U . . .
F3 F 0.9149(5) 0.6415(9) 0.5763(5) 0.196(4) Uani 1 1 d . U . . .
O1 O 0.8354(3) 0.5524(6) 0.6338(3) 0.0970(19) Uani 1 1 d . U . . .
O2 O 0.9102(4) 0.6737(8) 0.6934(5) 0.151(3) Uani 1 1 d . U . . .
O3 O 0.9251(3) 0.4896(8) 0.7138(4) 0.142(3) Uani 1 1 d . U . . .
C29 C 0.9265(7) 0.5662(14) 0.6238(7) 0.144(4) Uani 1 1 d . U . . .


_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 N1 2.150(5) 3_666 ?
Rh1 N5 2.225(5) 3_666 ?
Rh1 N6 2.124(4) . ?
Rh1 C2 2.168(5) . ?
Rh1 C6 2.132(6) . ?
Rh1 C15 2.146(6) . ?
Rh1 C17 2.148(6) . ?
Rh1 C50 2.144(6) . ?
Rh2 N2 2.141(5) . ?
Rh2 N3 2.179(5) . ?
Rh2 N4 2.127(5) . ?
Rh2 C19 2.139(7) . ?
Rh2 C33 2.138(8) . ?
Rh2 C38 2.151(6) . ?
Rh2 C39 2.159(6) . ?
Rh2 C42 2.162(6) . ?
N1 C1 1.328(7) . ?
N1 C18 1.417(8) . ?
N2 C4 1.354(7) . ?
N2 C10 1.360(8) . ?
N3 C1 1.329(7) . ?
N3 C30 1.391(8) . ?
N4 C16 1.316(9) . ?
N4 C31 1.346(8) . ?
N5 C4 1.345(7) . ?
N5 C8 1.358(9) . ?
N6 C26 1.338(8) . ?
N6 C40 1.335(8) . ?
C1 C4 1.394(9) . ?
C2 C6 1.419(10) . ?
C2 C15 1.429(11) . ?
C2 C47 1.492(9) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C3 C34 1.502(12) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C5 C6 1.517(12) . ?
C6 C50 1.441(9) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C7 C33 1.464(14) . ?
C8 C9 1.381(10) . ?
C8 C10 1.441(8) . ?
C9 H9 0.9300 . ?
C9 C13 1.338(12) . ?
C10 C48 1.389(10) . ?
C11 H11 0.9300 . ?
C11 C35 1.366(11) . ?
C11 C45 1.423(11) . ?
C12 C21 1.471(9) . ?
C12 C24 1.423(10) . ?
C12 C34 1.405(8) . ?
C13 H13 0.9300 . ?
C13 C51 1.391(12) . ?
C14 C20 1.412(11) . ?
C14 C56 1.399(8) . ?
C14 C59 1.505(10) . ?
C15 C17 1.443(10) . ?
C15 C25 1.494(11) . ?
C16 H16 0.9300 . ?
C16 C32 1.397(9) . ?
C17 C23 1.518(11) . ?
C17 C50 1.406(12) . ?
C18 C30 1.429(8) . ?
C18 C37 1.402(9) . ?
C19 C33 1.459(14) . ?
C19 C39 1.408(13) . ?
C19 C49 1.504(12) . ?
C20 C34 1.408(11) . ?
C20 C58 1.428(9) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 C24 1.422(8) . ?
C22 C54 1.193(8) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 C56 1.377(10) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26 0.9300 . ?
C26 C52 1.379(8) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C27 C50 1.465(10) . ?
C28 H28 0.9300 . ?
C28 C40 1.376(8) . ?
C28 C46 1.365(10) . ?
C30 C35 1.389(10) . ?
C31 H31 0.9300 . ?
C31 C41 1.388(9) . ?
C32 H32 0.9300 . ?
C32 C44 1.375(11) . ?
C33 C38 1.432(12) . ?
C35 H35 0.9300 . ?
C36 C44 1.425(8) . ?
C36 C58 1.199(9) . ?
C37 H37 0.9300 . ?
C37 C45 1.366(11) . ?
C38 C42 1.348(11) . ?
C38 C53 1.492(11) . ?
C39 C42 1.461(10) . ?
C39 C57 1.455(13) . ?
C40 H40 0.9300 . ?
C41 H41 0.9300 . ?
C41 C44 1.382(11) . ?
C42 C55 1.514(11) . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C43 C56 1.480(10) . ?
C45 H45 0.9300 . ?
C46 C52 1.404(9) . ?
C46 C54 1.434(8) . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 H48 0.9300 . ?
C48 C51 1.372(12) . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
C51 H51 0.9300 . ?
C52 H52 0.9300 . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C59 H59A 0.9600 . ?
C59 H59B 0.9600 . ?
C59 H59C 0.9600 . ?
S1 O1 1.423(6) . ?
S1 O2 1.461(9) . ?
S1 O3 1.392(8) . ?
S1 C29 1.507(18) . ?
F1 C29 1.391(18) . ?
F2 C29 1.338(18) . ?
F3 C29 1.412(17) . ?

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
N1 Rh1 N5 79.37(19) 3_666 3_666 ?
N1 Rh1 C2 142.3(3) 3_666 . ?
N6 Rh1 N1 84.00(19) . 3_666 ?
N6 Rh1 N5 84.15(17) . 3_666 ?
N6 Rh1 C2 92.9(2) . . ?
N6 Rh1 C6 112.7(2) . . ?
N6 Rh1 C15 108.5(2) . . ?
N6 Rh1 C17 147.4(2) . . ?
N6 Rh1 C50 152.1(2) . . ?
C2 Rh1 N5 137.8(3) . 3_666 ?
C6 Rh1 N1 163.0(2) . 3_666 ?
C6 Rh1 N5 104.8(2) . 3_666 ?
C6 Rh1 C2 38.5(3) . . ?
C6 Rh1 C15 65.4(3) . . ?
C6 Rh1 C17 64.5(3) . . ?
C6 Rh1 C50 39.4(3) . . ?
C15 Rh1 N1 107.2(2) . 3_666 ?
C15 Rh1 N5 166.1(2) . 3_666 ?
C15 Rh1 C2 38.7(3) . . ?
C15 Rh1 C17 39.3(3) . . ?
C17 Rh1 N1 99.8(2) . 3_666 ?
C17 Rh1 N5 128.5(2) . 3_666 ?
C17 Rh1 C2 64.3(2) . . ?
C50 Rh1 N1 123.9(2) . 3_666 ?
C50 Rh1 N5 100.2(3) . 3_666 ?
C50 Rh1 C2 65.2(3) . . ?
C50 Rh1 C15 65.8(3) . . ?
C50 Rh1 C17 38.2(3) . . ?
N2 Rh2 N3 79.85(19) . . ?
N2 Rh2 C38 113.7(3) . . ?
N2 Rh2 C39 112.5(3) . . ?
N2 Rh2 C42 97.0(2) . . ?
N4 Rh2 N2 87.05(18) . . ?
N4 Rh2 N3 85.40(18) . . ?
N4 Rh2 C19 92.3(3) . . ?
N4 Rh2 C33 120.6(3) . . ?
N4 Rh2 C38 157.8(2) . . ?
N4 Rh2 C39 100.6(2) . . ?
N4 Rh2 C42 138.0(2) . . ?
C19 Rh2 N2 150.0(3) . . ?
C19 Rh2 N3 130.0(3) . . ?
C19 Rh2 C38 65.8(3) . . ?
C19 Rh2 C39 38.2(3) . . ?
C19 Rh2 C42 64.2(3) . . ?
C33 Rh2 N2 152.3(3) . . ?
C33 Rh2 N3 101.1(3) . . ?
C33 Rh2 C19 39.9(4) . . ?
C33 Rh2 C38 39.0(3) . . ?
C33 Rh2 C39 65.2(3) . . ?
C33 Rh2 C42 63.0(3) . . ?
C38 Rh2 N3 105.3(3) . . ?
C38 Rh2 C39 65.1(3) . . ?
C38 Rh2 C42 36.4(3) . . ?
C39 Rh2 N3 166.3(3) . . ?
C39 Rh2 C42 39.5(3) . . ?
C42 Rh2 N3 136.5(2) . . ?
C1 N1 Rh1 110.3(4) . 3_666 ?
C1 N1 C18 101.9(5) . . ?
C18 N1 Rh1 144.1(4) . 3_666 ?
C4 N2 Rh2 109.4(4) . . ?
C4 N2 C10 103.4(5) . . ?
C10 N2 Rh2 146.6(4) . . ?
C1 N3 Rh2 108.9(4) . . ?
C1 N3 C30 103.8(5) . . ?
C30 N3 Rh2 146.7(4) . . ?
C16 N4 Rh2 120.3(4) . . ?
C16 N4 C31 117.7(6) . . ?
C31 N4 Rh2 120.6(5) . . ?
C4 N5 Rh1 105.4(4) . 3_666 ?
C4 N5 C8 104.9(5) . . ?
C8 N5 Rh1 146.7(4) . 3_666 ?
C26 N6 Rh1 120.2(4) . . ?
C40 N6 Rh1 121.3(4) . . ?
C40 N6 C26 118.2(5) . . ?
N1 C1 N3 118.8(6) . . ?
N1 C1 C4 119.7(5) . . ?
N3 C1 C4 121.0(5) . . ?
C6 C2 Rh1 69.4(3) . . ?
C6 C2 C15 108.4(6) . . ?
C6 C2 C47 125.8(8) . . ?
C15 C2 Rh1 69.8(3) . . ?
C15 C2 C47 125.8(7) . . ?
C47 C2 Rh1 125.0(5) . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C34 C3 H3A 109.5 . . ?
C34 C3 H3B 109.5 . . ?
C34 C3 H3C 109.5 . . ?
N2 C4 C1 120.8(5) . . ?
N5 C4 N2 115.6(6) . . ?
N5 C4 C1 123.5(5) . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C6 C5 H5A 109.5 . . ?
C6 C5 H5B 109.5 . . ?
C6 C5 H5C 109.5 . . ?
C2 C6 Rh1 72.1(4) . . ?
C2 C6 C5 125.9(6) . . ?
C2 C6 C50 108.6(7) . . ?
C5 C6 Rh1 130.3(5) . . ?
C50 C6 Rh1 70.7(3) . . ?
C50 C6 C5 124.9(7) . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C33 C7 H7A 109.5 . . ?
C33 C7 H7B 109.5 . . ?
C33 C7 H7C 109.5 . . ?
N5 C8 C9 132.9(6) . . ?
N5 C8 C10 107.2(6) . . ?
C9 C8 C10 119.9(7) . . ?
C8 C9 H9 120.3 . . ?
C13 C9 C8 119.4(8) . . ?
C13 C9 H9 120.3 . . ?
N2 C10 C8 108.9(6) . . ?
N2 C10 C48 131.6(6) . . ?
C48 C10 C8 119.5(7) . . ?
C35 C11 H11 119.7 . . ?
C35 C11 C45 120.7(8) . . ?
C45 C11 H11 119.7 . . ?
C24 C12 C21 120.2(6) . . ?
C34 C12 C21 121.5(7) . . ?
C34 C12 C24 118.3(6) . . ?
C9 C13 H13 119.3 . . ?
C9 C13 C51 121.4(9) . . ?
C51 C13 H13 119.3 . . ?
C20 C14 C59 120.1(6) . . ?
C56 C14 C20 119.0(6) . . ?
C56 C14 C59 120.9(7) . . ?
C2 C15 Rh1 71.5(4) . . ?
C2 C15 C17 106.3(7) . . ?
C2 C15 C25 124.7(7) . . ?
C17 C15 Rh1 70.4(4) . . ?
C17 C15 C25 128.1(8) . . ?
C25 C15 Rh1 131.3(5) . . ?
N4 C16 H16 118.2 . . ?
N4 C16 C32 123.5(7) . . ?
C32 C16 H16 118.2 . . ?
C15 C17 Rh1 70.3(4) . . ?
C15 C17 C23 124.0(8) . . ?
C23 C17 Rh1 125.8(5) . . ?
C50 C17 Rh1 70.7(4) . . ?
C50 C17 C15 109.9(7) . . ?
C50 C17 C23 126.1(7) . . ?
N1 C18 C30 108.3(5) . . ?
C37 C18 N1 131.6(6) . . ?
C37 C18 C30 120.1(7) . . ?
C33 C19 Rh2 70.0(4) . . ?
C33 C19 C49 126.0(10) . . ?
C39 C19 Rh2 71.7(4) . . ?
C39 C19 C33 107.8(7) . . ?
C39 C19 C49 126.1(10) . . ?
C49 C19 Rh2 126.9(6) . . ?
C14 C20 C58 119.5(7) . . ?
C34 C20 C14 122.2(6) . . ?
C34 C20 C58 118.3(7) . . ?
C12 C21 H21A 109.5 . . ?
C12 C21 H21B 109.5 . . ?
C12 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C54 C22 C24 177.2(8) . . ?
C17 C23 H23A 109.5 . . ?
C17 C23 H23B 109.5 . . ?
C17 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 C12 116.7(6) . . ?
C56 C24 C12 123.1(6) . . ?
C56 C24 C22 120.2(6) . . ?
C15 C25 H25A 109.5 . . ?
C15 C25 H25B 109.5 . . ?
C15 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N6 C26 H26 118.9 . . ?
N6 C26 C52 122.2(6) . . ?
C52 C26 H26 118.9 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C50 C27 H27A 109.5 . . ?
C50 C27 H27B 109.5 . . ?
C50 C27 H27C 109.5 . . ?
C40 C28 H28 119.9 . . ?
C46 C28 H28 119.9 . . ?
C46 C28 C40 120.1(6) . . ?
N3 C30 C18 107.2(6) . . ?
C35 C30 N3 132.5(6) . . ?
C35 C30 C18 120.1(6) . . ?
N4 C31 H31 118.9 . . ?
N4 C31 C41 122.2(8) . . ?
C41 C31 H31 118.9 . . ?
C16 C32 H32 120.7 . . ?
C44 C32 C16 118.5(8) . . ?
C44 C32 H32 120.7 . . ?
C7 C33 Rh2 128.4(6) . . ?
C19 C33 Rh2 70.1(5) . . ?
C19 C33 C7 124.3(10) . . ?
C38 C33 Rh2 71.0(4) . . ?
C38 C33 C7 128.1(11) . . ?
C38 C33 C19 107.4(8) . . ?
C12 C34 C3 120.6(7) . . ?
C12 C34 C20 118.5(7) . . ?
C20 C34 C3 121.0(6) . . ?
C11 C35 C30 119.2(7) . . ?
C11 C35 H35 120.4 . . ?
C30 C35 H35 120.4 . . ?
C58 C36 C44 176.0(7) . . ?
C18 C37 H37 120.8 . . ?
C45 C37 C18 118.5(7) . . ?
C45 C37 H37 120.8 . . ?
C33 C38 Rh2 70.0(4) . . ?
C33 C38 C53 126.2(9) . . ?
C42 C38 Rh2 72.2(4) . . ?
C42 C38 C33 107.9(8) . . ?
C42 C38 C53 125.8(9) . . ?
C53 C38 Rh2 127.0(5) . . ?
C19 C39 Rh2 70.1(4) . . ?
C19 C39 C42 105.7(8) . . ?
C19 C39 C57 125.7(9) . . ?
C42 C39 Rh2 70.4(3) . . ?
C57 C39 Rh2 127.9(5) . . ?
C57 C39 C42 128.5(9) . . ?
N6 C40 C28 122.6(7) . . ?
N6 C40 H40 118.7 . . ?
C28 C40 H40 118.7 . . ?
C31 C41 H41 120.3 . . ?
C44 C41 C31 119.3(7) . . ?
C44 C41 H41 120.3 . . ?
C38 C42 Rh2 71.4(4) . . ?
C38 C42 C39 111.2(8) . . ?
C38 C42 C55 124.6(8) . . ?
C39 C42 Rh2 70.1(3) . . ?
C39 C42 C55 124.2(8) . . ?
C55 C42 Rh2 126.4(5) . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C56 C43 H43A 109.5 . . ?
C56 C43 H43B 109.5 . . ?
C56 C43 H43C 109.5 . . ?
C32 C44 C36 121.2(8) . . ?
C32 C44 C41 118.4(6) . . ?
C41 C44 C36 120.4(7) . . ?
C11 C45 H45 119.3 . . ?
C37 C45 C11 121.3(8) . . ?
C37 C45 H45 119.3 . . ?
C28 C46 C52 117.5(6) . . ?
C28 C46 C54 121.4(6) . . ?
C52 C46 C54 121.1(6) . . ?
C2 C47 H47A 109.5 . . ?
C2 C47 H47B 109.5 . . ?
C2 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C10 C48 H48 121.0 . . ?
C51 C48 C10 118.0(7) . . ?
C51 C48 H48 121.0 . . ?
C19 C49 H49A 109.5 . . ?
C19 C49 H49B 109.5 . . ?
C19 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C6 C50 Rh1 69.9(3) . . ?
C6 C50 C27 126.2(9) . . ?
C17 C50 Rh1 71.1(4) . . ?
C17 C50 C6 106.7(6) . . ?
C17 C50 C27 127.1(8) . . ?
C27 C50 Rh1 125.2(5) . . ?
C13 C51 H51 119.1 . . ?
C48 C51 C13 121.8(8) . . ?
C48 C51 H51 119.1 . . ?
C26 C52 C46 119.3(6) . . ?
C26 C52 H52 120.3 . . ?
C46 C52 H52 120.3 . . ?
C38 C53 H53A 109.5 . . ?
C38 C53 H53B 109.5 . . ?
C38 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C22 C54 C46 177.2(7) . . ?
C42 C55 H55A 109.5 . . ?
C42 C55 H55B 109.5 . . ?
C42 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C14 C56 C43 120.2(7) . . ?
C24 C56 C14 118.9(7) . . ?
C24 C56 C43 121.0(6) . . ?
C39 C57 H57A 109.5 . . ?
C39 C57 H57B 109.5 . . ?
C39 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C36 C58 C20 179.2(8) . . ?
C14 C59 H59A 109.5 . . ?
C14 C59 H59B 109.5 . . ?
C14 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
O1 S1 O2 110.5(5) . . ?
O1 S1 C29 106.9(7) . . ?
O2 S1 C29 101.3(8) . . ?
O3 S1 O1 115.2(5) . . ?
O3 S1 O2 113.5(6) . . ?
O3 S1 C29 108.2(8) . . ?
F1 C29 S1 115.1(12) . . ?
F1 C29 F3 97.9(14) . . ?
F2 C29 S1 115.3(14) . . ?
F2 C29 F1 100.4(15) . . ?
F2 C29 F3 100.1(13) . . ?
F3 C29 S1 124.2(14) . . ?

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
Rh1 N1 C1 N3 -162.6(4) 3_666 . . . ?
Rh1 N1 C1 C4 9.4(6) 3_666 . . . ?
Rh1 N1 C18 C30 152.7(5) 3_666 . . . ?
Rh1 N1 C18 C37 -25.9(12) 3_666 . . . ?
Rh1 N5 C4 N2 165.1(4) 3_666 . . . ?
Rh1 N5 C4 C1 -10.0(6) 3_666 . . . ?
Rh1 N5 C8 C9 26.4(13) 3_666 . . . ?
Rh1 N5 C8 C10 -154.2(6) 3_666 . . . ?
Rh1 N6 C26 C52 174.9(4) . . . . ?
Rh1 N6 C40 C28 -174.8(5) . . . . ?
Rh1 C2 C6 C5 -127.2(6) . . . . ?
Rh1 C2 C6 C50 61.7(4) . . . . ?
Rh1 C2 C15 C17 -62.2(4) . . . . ?
Rh1 C2 C15 C25 127.9(7) . . . . ?
Rh1 C6 C50 C17 61.9(4) . . . . ?
Rh1 C6 C50 C27 -119.5(7) . . . . ?
Rh1 C15 C17 C23 120.5(6) . . . . ?
Rh1 C15 C17 C50 -59.8(4) . . . . ?
Rh1 C17 C50 C6 -61.1(4) . . . . ?
Rh1 C17 C50 C27 120.3(7) . . . . ?
Rh2 N2 C4 N5 -172.9(4) . . . . ?
Rh2 N2 C4 C1 2.3(6) . . . . ?
Rh2 N2 C10 C8 168.9(5) . . . . ?
Rh2 N2 C10 C48 -11.9(12) . . . . ?
Rh2 N3 C1 N1 172.5(4) . . . . ?
Rh2 N3 C1 C4 0.6(6) . . . . ?
Rh2 N3 C30 C18 -168.5(5) . . . . ?
Rh2 N3 C30 C35 8.4(13) . . . . ?
Rh2 N4 C16 C32 161.9(5) . . . . ?
Rh2 N4 C31 C41 -160.7(5) . . . . ?
Rh2 C19 C33 C7 123.5(8) . . . . ?
Rh2 C19 C33 C38 -61.5(5) . . . . ?
Rh2 C19 C39 C42 61.8(4) . . . . ?
Rh2 C19 C39 C57 -123.0(7) . . . . ?
Rh2 C33 C38 C42 -62.7(5) . . . . ?
Rh2 C33 C38 C53 121.8(7) . . . . ?
Rh2 C38 C42 C39 -59.0(4) . . . . ?
Rh2 C38 C42 C55 121.8(6) . . . . ?
Rh2 C39 C42 C38 59.7(5) . . . . ?
Rh2 C39 C42 C55 -121.1(6) . . . . ?
N1 C1 C4 N2 -173.9(5) . . . . ?
N1 C1 C4 N5 0.9(8) . . . . ?
N1 C18 C30 N3 0.3(7) . . . . ?
N1 C18 C30 C35 -177.1(6) . . . . ?
N1 C18 C37 C45 178.0(7) . . . . ?
N2 C10 C48 C51 -178.2(7) . . . . ?
N3 C1 C4 N2 -2.1(8) . . . . ?
N3 C1 C4 N5 172.7(5) . . . . ?
N3 C30 C35 C11 -178.7(8) . . . . ?
N4 C16 C32 C44 -0.4(11) . . . . ?
N4 C31 C41 C44 -1.9(11) . . . . ?
N5 C8 C9 C13 177.5(8) . . . . ?
N5 C8 C10 N2 -0.3(7) . . . . ?
N5 C8 C10 C48 -179.6(6) . . . . ?
N6 C26 C52 C46 -1.3(9) . . . . ?
C1 N1 C18 C30 -0.9(6) . . . . ?
C1 N1 C18 C37 -179.4(7) . . . . ?
C1 N3 C30 C18 0.4(6) . . . . ?
C1 N3 C30 C35 177.3(8) . . . . ?
C2 C6 C50 Rh1 -62.5(4) . . . . ?
C2 C6 C50 C17 -0.6(7) . . . . ?
C2 C6 C50 C27 178.0(6) . . . . ?
C2 C15 C17 Rh1 62.9(4) . . . . ?
C2 C15 C17 C23 -176.5(6) . . . . ?
C2 C15 C17 C50 3.1(7) . . . . ?
C4 N2 C10 C8 -0.3(6) . . . . ?
C4 N2 C10 C48 178.9(7) . . . . ?
C4 N5 C8 C9 -178.6(7) . . . . ?
C4 N5 C8 C10 0.7(6) . . . . ?
C5 C6 C50 Rh1 126.3(6) . . . . ?
C5 C6 C50 C17 -171.8(6) . . . . ?
C5 C6 C50 C27 6.8(10) . . . . ?
C6 C2 C15 Rh1 58.8(4) . . . . ?
C6 C2 C15 C17 -3.5(6) . . . . ?
C6 C2 C15 C25 -173.3(6) . . . . ?
C7 C33 C38 Rh2 -124.4(8) . . . . ?
C7 C33 C38 C42 173.0(7) . . . . ?
C7 C33 C38 C53 -2.6(12) . . . . ?
C8 N5 C4 N2 -1.0(6) . . . . ?
C8 N5 C4 C1 -176.1(5) . . . . ?
C8 C9 C13 C51 2.9(16) . . . . ?
C8 C10 C48 C51 0.9(11) . . . . ?
C9 C8 C10 N2 179.1(6) . . . . ?
C9 C8 C10 C48 -0.2(10) . . . . ?
C9 C13 C51 C48 -2.2(17) . . . . ?
C10 N2 C4 N5 0.8(6) . . . . ?
C10 N2 C4 C1 176.0(5) . . . . ?
C10 C8 C9 C13 -1.8(12) . . . . ?
C10 C48 C51 C13 0.2(15) . . . . ?
C12 C24 C56 C14 1.5(9) . . . . ?
C12 C24 C56 C43 -179.8(6) . . . . ?
C14 C20 C34 C3 177.8(6) . . . . ?
C14 C20 C34 C12 -3.1(9) . . . . ?
C15 C2 C6 Rh1 -59.1(4) . . . . ?
C15 C2 C6 C5 173.7(6) . . . . ?
C15 C2 C6 C50 2.6(7) . . . . ?
C15 C17 C50 Rh1 59.6(4) . . . . ?
C15 C17 C50 C6 -1.6(7) . . . . ?
C15 C17 C50 C27 179.9(6) . . . . ?
C16 N4 C31 C41 5.8(10) . . . . ?
C16 C32 C44 C36 -173.9(6) . . . . ?
C16 C32 C44 C41 4.4(10) . . . . ?
C18 N1 C1 N3 1.2(6) . . . . ?
C18 N1 C1 C4 173.2(5) . . . . ?
C18 C30 C35 C11 -2.1(11) . . . . ?
C18 C37 C45 C11 -0.4(13) . . . . ?
C19 C33 C38 Rh2 60.9(5) . . . . ?
C19 C33 C38 C42 -1.7(8) . . . . ?
C19 C33 C38 C53 -177.3(7) . . . . ?
C19 C39 C42 Rh2 -61.6(4) . . . . ?
C19 C39 C42 C38 -1.9(7) . . . . ?
C19 C39 C42 C55 177.3(6) . . . . ?
C20 C14 C56 C24 -3.0(8) . . . . ?
C20 C14 C56 C43 178.2(6) . . . . ?
C21 C12 C24 C22 2.4(8) . . . . ?
C21 C12 C24 C56 179.9(6) . . . . ?
C21 C12 C34 C3 -0.1(10) . . . . ?
C21 C12 C34 C20 -179.1(6) . . . . ?
C22 C24 C56 C14 178.8(5) . . . . ?
C22 C24 C56 C43 -2.4(9) . . . . ?
C23 C17 C50 Rh1 -120.8(6) . . . . ?
C23 C17 C50 C6 178.1(6) . . . . ?
C23 C17 C50 C27 -0.5(11) . . . . ?
C24 C12 C34 C3 -179.5(6) . . . . ?
C24 C12 C34 C20 1.4(8) . . . . ?
C25 C15 C17 Rh1 -127.7(7) . . . . ?
C25 C15 C17 C23 -7.2(10) . . . . ?
C25 C15 C17 C50 172.5(6) . . . . ?
C26 N6 C40 C28 -1.1(9) . . . . ?
C28 C46 C52 C26 1.4(9) . . . . ?
C30 N3 C1 N1 -1.1(7) . . . . ?
C30 N3 C1 C4 -173.0(5) . . . . ?
C30 C18 C37 C45 -0.5(11) . . . . ?
C31 N4 C16 C32 -4.6(10) . . . . ?
C31 C41 C44 C32 -3.3(11) . . . . ?
C31 C41 C44 C36 175.0(6) . . . . ?
C33 C19 C39 Rh2 -61.0(5) . . . . ?
C33 C19 C39 C42 0.7(7) . . . . ?
C33 C19 C39 C57 176.0(6) . . . . ?
C33 C38 C42 Rh2 61.2(4) . . . . ?
C33 C38 C42 C39 2.3(7) . . . . ?
C33 C38 C42 C55 -176.9(6) . . . . ?
C34 C12 C24 C22 -178.1(5) . . . . ?
C34 C12 C24 C56 -0.7(9) . . . . ?
C35 C11 C45 C37 0.0(15) . . . . ?
C37 C18 C30 N3 179.1(6) . . . . ?
C37 C18 C30 C35 1.7(10) . . . . ?
C39 C19 C33 Rh2 62.1(5) . . . . ?
C39 C19 C33 C7 -174.4(7) . . . . ?
C39 C19 C33 C38 0.6(8) . . . . ?
C40 N6 C26 C52 1.1(9) . . . . ?
C40 C28 C46 C52 -1.5(10) . . . . ?
C40 C28 C46 C54 178.2(6) . . . . ?
C45 C11 C35 C30 1.2(14) . . . . ?
C46 C28 C40 N6 1.3(10) . . . . ?
C47 C2 C6 Rh1 118.9(6) . . . . ?
C47 C2 C6 C5 -8.3(10) . . . . ?
C47 C2 C6 C50 -179.4(6) . . . . ?
C47 C2 C15 Rh1 -119.2(6) . . . . ?
C47 C2 C15 C17 178.5(6) . . . . ?
C47 C2 C15 C25 8.7(10) . . . . ?
C49 C19 C33 Rh2 -121.7(8) . . . . ?
C49 C19 C33 C7 1.8(12) . . . . ?
C49 C19 C33 C38 176.7(7) . . . . ?
C49 C19 C39 Rh2 122.8(8) . . . . ?
C49 C19 C39 C42 -175.4(7) . . . . ?
C49 C19 C39 C57 -0.2(12) . . . . ?
C53 C38 C42 Rh2 -123.2(7) . . . . ?
C53 C38 C42 C39 177.9(6) . . . . ?
C53 C38 C42 C55 -1.3(11) . . . . ?
C54 C46 C52 C26 -178.2(6) . . . . ?
C56 C14 C20 C34 4.0(9) . . . . ?
C56 C14 C20 C58 -177.9(5) . . . . ?
C57 C39 C42 Rh2 123.4(7) . . . . ?
C57 C39 C42 C38 -177.0(7) . . . . ?
C57 C39 C42 C55 2.2(11) . . . . ?
C58 C20 C34 C3 -0.3(9) . . . . ?
C58 C20 C34 C12 178.7(6) . . . . ?
C59 C14 C20 C34 -178.2(6) . . . . ?
C59 C14 C20 C58 -0.1(9) . . . . ?
C59 C14 C56 C24 179.2(6) . . . . ?
C59 C14 C56 C43 0.4(9) . . . . ?
O1 S1 C29 F1 -177.0(13) . . . . ?
O1 S1 C29 F2 -60.8(14) . . . . ?
O1 S1 C29 F3 62.9(16) . . . . ?
O2 S1 C29 F1 67.3(15) . . . . ?
O2 S1 C29 F2 -176.5(12) . . . . ?
O2 S1 C29 F3 -52.9(16) . . . . ?
O3 S1 C29 F1 -52.4(16) . . . . ?
O3 S1 C29 F2 63.9(14) . . . . ?
O3 S1 C29 F3 -172.5(13) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 722 electrons were 
found in a volume of 2146Å³ in 1 void per unit cell. 
This is consistent with the presence of 
5[CF3SO3] per Asymmetric Unit 
which account for 730 electrons 
per unit cell.
;
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 0.500 -0.124 -0.076 2145.7 722.1 '10 CF3SO3'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.518
_oxdiff_exptl_absorpt_empirical_full_min 0.657
####################################################################### 
# 
# 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. 
# 
#######################################################################

data_a
_database_code_depnum_ccdc_archive 'CCDC 2132806'
loop_
_audit_author_name
_audit_author_address
dang
;luoyang normal university
China
;
_audit_update_record             
;
2022-03-31 deposited with the CCDC.	2022-04-05 downloaded from the CCDC.
;
_audit_creation_date             2022-03-24
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'2(C100 H92 Ir4 N4 O8), 4(C1 F3 O3 S1), O6 S2, C2 F6, 0.56[CF3SO3], 5.2[CF3SO3]'
_chemical_formula_sum            'C211.76 H184 F35.28 Ir8 N8 O51.28 S11.76'
_chemical_formula_weight         6246.20
_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 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ir Ir -5.7005 5.2682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2925 0.4295 '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           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   21.3182(15)
_cell_length_b                   15.4343(10)
_cell_length_c                   19.1459(14)
_cell_angle_alpha                90
_cell_angle_beta                 99.140(4)
_cell_angle_gamma                90
_cell_volume                     6219.6(8)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9918
_cell_measurement_temperature    173.00
_cell_measurement_theta_max      52.99
_cell_measurement_theta_min      3.09
_shelx_estimated_absorpt_T_max   0.562
_shelx_estimated_absorpt_T_min   0.509
_exptl_absorpt_coefficient_mu    6.505
_exptl_absorpt_correction_T_max  0.7363
_exptl_absorpt_correction_T_min  0.5913
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1387 before and 0.1028 after correction.
The Ratio of minimum to maximum transmission is 0.8031.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic dark black'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.668
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3042
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0767
_diffrn_reflns_av_unetI/netI     0.0651
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            45180
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         53.901
_diffrn_reflns_theta_min         3.089
_diffrn_ambient_temperature      173.00
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE Metaljet PHOTON III'
_diffrn_measurement_method       'ω and φ shutterless scans'
_diffrn_measurement_specimen_support 'nylon loop'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_source_current           2.86
_diffrn_source_power             0.19937059999999998
_diffrn_source_voltage           69.71
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8310
_reflns_number_total             11342
_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       'SAINT V8.40B (Bruker, 2019)'
_computing_data_collection       'Bruker BIS V6.2.14'
_computing_data_reduction        'SAINT V8.40B (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.374
_refine_diff_density_min         -1.112
_refine_diff_density_rms         0.119
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     779
_refine_ls_number_reflns         11342
_refine_ls_number_restraints     2089
_refine_ls_R_factor_all          0.0733
_refine_ls_R_factor_gt           0.0523
_refine_ls_restrained_S_all      1.023
_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)+(0.0690P)²+9.2966P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1340
_refine_ls_wR_factor_ref         0.1452
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Shared sites
{S2, C52}
{O10, F4}
{O9, F5}
{O8, F6}
3. Restrained distances
 C51-F2 = C51-F1 = C51-F3
 1.33 with sigma of 0.02
 C51-S1
 1.82 with sigma of 0.02
 S1-O6 = S1-O5 = S1-O7
 1.44 with sigma of 0.02
 C51-O6
 2.58 with sigma of 0.04
 C51-O7
 2.57 with sigma of 0.04
 C51-O5
 2.56 with sigma of 0.04
 F2-F1 \\sim F1-F3 \\sim F3-F2
 with sigma of 0.04
 S1-F2 \\sim S1-F1 \\sim S1-F3
 with sigma of 0.04
 C51-F2 \\sim C51-F1 \\sim C51-F3
 with sigma of 0.02
 S1-O6 \\sim S1-O5 \\sim S1-O7
 with sigma of 0.02
 O6-O5 \\sim O5-O7 \\sim O6-O7
 with sigma of 0.04
 C51-O6 \\sim C51-O5 \\sim C51-O7
 with sigma of 0.04
 C49A-C43A \\sim C50A-C44A \\sim C45A-C46A \\sim C41A-C47A \\sim C42A-C48A
 with sigma of 0.02
 C50-C44 \\sim C49-C43 \\sim C42-C48 \\sim C41-C47 \\sim C45-C46
 with sigma of 0.02
 C49-C48 \\sim C50-C49 \\sim C50-C46 \\sim C47-C46 \\sim C47-C48
 with sigma of 0.02
 C47A-C48A \\sim C49A-C48A \\sim C50A-C49A \\sim C50A-C46A \\sim C47A-C46A
 with sigma of 0.02
4. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 Ir1, O2, O1, N2, C35, C31, C34, C33, C32
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
5. Uiso/Uaniso restraints and constraints
C35 \\sim C33 \\sim C40 \\sim C31 \\sim C34 \\sim C32 \\sim C37 \\sim C36 \\sim
C39 \\sim C38: within 2A with sigma of 0.02 and sigma for terminal atoms of
0.04 within 2A
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
C51 \\sim F2 \\sim F1 \\sim F3 \\sim S1 \\sim O6 \\sim O5 \\sim O7: within 2A
with sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A
F1 \\sim C51 \\sim F2 \\sim F3 \\sim S1 \\sim O6 \\sim O5 \\sim O7: within 2A
with sigma of 0.005 and sigma for terminal atoms of 0.01 within 2A
S2 \\sim C52 \\sim O9 \\sim O10 \\sim O8 \\sim F4 \\sim F5 \\sim F6: within 2A
with sigma of 0.02 and sigma for terminal atoms of 0.04 within 2A
C22 \\sim C23 \\sim C24: within 2A with sigma of 0.02 and sigma for terminal
atoms of 0.04 within 2A
F1 \\sim C51 \\sim F2 \\sim F3 \\sim S1 \\sim O6 \\sim O5 \\sim O7 \\sim F3A
\\sim O7A \\sim S1A \\sim C51A \\sim O5A \\sim O6A \\sim F2A \\sim F1A: within
2A with sigma of 0.02 and sigma for terminal atoms of 0.04 within 2A
C43 \\sim C44 \\sim C45 \\sim C41 \\sim C42 \\sim C50 \\sim C49 \\sim C46 \\sim
C47 \\sim C48 \\sim C43A \\sim C44A \\sim C45A \\sim C41A \\sim C42A \\sim C50A
\\sim C49A \\sim C46A \\sim C47A \\sim C48A: within 2A with sigma of 0.02 and
sigma for terminal atoms of 0.04 within 2A
C46A \\sim C45A: within 2A with sigma of 0.005 and sigma for terminal atoms of
0.01 within 2A
Uanis(S2) = Uanis(C52)
Uanis(O10) = Uanis(F4)
Uanis(O8) = Uanis(F6)
Uanis(O9) = Uanis(F5)
6. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C51, F2, F1, F3, S1, O6, O5, O7
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
7. Others
 Sof(O7A)=Sof(C51A)=Sof(F3A)=Sof(F2A)=Sof(F1A)=Sof(S1A)=Sof(O5A)=Sof(O6A)=1-
 FVAR(1)
 Sof(C51)=Sof(F2)=Sof(F1)=Sof(F3)=Sof(S1)=Sof(O6)=Sof(O5)=Sof(O7)=FVAR(1)
 Sof(C43A)=Sof(C44A)=Sof(C45A)=Sof(C41A)=Sof(C42A)=Sof(C50A)=Sof(H50D)=
 Sof(H50E)=Sof(H50F)=Sof(C49A)=Sof(H49D)=Sof(H49E)=Sof(H49F)=Sof(C46A)=
 Sof(H46D)=Sof(H46E)=Sof(H46F)=Sof(C47A)=Sof(H47D)=Sof(H47E)=Sof(H47F)=
 Sof(C48A)=Sof(H48D)=Sof(H48E)=Sof(H48F)=1-FVAR(2)
 Sof(C43)=Sof(C44)=Sof(C45)=Sof(C41)=Sof(C42)=Sof(C50)=Sof(H50A)=Sof(H50B)=
 Sof(H50C)=Sof(C49)=Sof(H49A)=Sof(H49B)=Sof(H49C)=Sof(C46)=Sof(H46A)=Sof(H46B)=
 Sof(H46C)=Sof(C47)=Sof(H47A)=Sof(H47B)=Sof(H47C)=Sof(C48)=Sof(H48A)=Sof(H48B)=
 Sof(H48C)=FVAR(2)
 Fixed Sof: S2(0.5) C52(0.5) O9(0.5) O10(0.5) O8(0.5) F4(0.5) F5(0.5) F6(0.5)
8.a Riding coordinates:
 C50(H50A,H50B,H50C), C47(H47A,H47B,H47C), C48(H48A,H48B,H48C)
8.b Me refined with riding coordinates:
 C40(H40A,H40B,H40C)
8.c Aromatic/amide H refined with riding coordinates:
 C18(H18), C27(H27), C17(H17), C28(H28), C22(H22), C19(H19), C23(H23), C1(H1),
 C12(H12), C20(H20), C10(H10), C2(H2), C9(H9), C5(H5), C13(H13), C4(H4)
8.d Fitted pentagon refined as free rotating group:
 C34(C33,C32,C31,C35), C43(C44,C45,C41,C42), C43A(C44A,C45A,C41A,C42A)
8.e Idealised Me refined as rotating group:
 C37(H37A,H37B,H37C), C36(H36A,H36B,H36C), C39(H39A,H39B,H39C), C38(H38A,H38B,
 H38C), C49(H49A,H49B,H49C), C46(H46A,H46B,H46C), C50A(H50D,H50E,H50F),
 C49A(H49D,H49E,H49F), C46A(H46D,H46E,H46F), C47A(H47D,H47E,H47F), C48A(H48D,
 H48E,H48F)
;
_atom_sites_solution_hydrogens   mixed
_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
Ir1 Ir 0.70980(2) 0.22788(2) 0.56439(2) 0.05003(12) Uani 1 1 d . U . . .
Ir2 Ir 0.91531(2) 0.66566(2) 0.72282(2) 0.05387(12) Uani 1 1 d . U . . .
O1 O 0.7746(2) 0.2554(3) 0.6542(2) 0.0513(9) Uani 1 1 d . U . . .
O2 O 0.6996(2) 0.3601(3) 0.5522(3) 0.0565(9) Uani 1 1 d . U . . .
O3 O 0.9151(2) 0.5358(3) 0.7482(3) 0.0555(10) Uani 1 1 d . U . . .
O4 O 0.8321(2) 0.6423(3) 0.6546(3) 0.0612(11) Uani 1 1 d . U . . .
C25 C 0.8212(3) 0.4878(4) 0.6682(3) 0.0443(11) Uani 1 1 d . U . . .
N2 N 0.6424(3) 0.2454(4) 0.6333(3) 0.0531(10) Uani 1 1 d . U . . .
C30 C 0.7853(3) 0.4117(4) 0.6408(3) 0.0434(11) Uani 1 1 d . U . . .
N1 N 0.1448(3) 0.3262(4) 1.2003(4) 0.0597(13) Uani 1 1 d . U . . .
C26 C 0.8747(3) 0.4758(4) 0.7226(3) 0.0435(11) Uani 1 1 d . U . . .
C29 C 0.8002(3) 0.3285(4) 0.6727(3) 0.0440(12) Uani 1 1 d . U . . .
C21 C 0.7346(3) 0.4192(4) 0.5835(4) 0.0497(13) Uani 1 1 d . U . . .
C24 C 0.8052(3) 0.5694(4) 0.6360(4) 0.0515(13) Uani 1 1 d . U . . .
C18 C 0.6470(4) 0.1988(5) 0.6934(4) 0.0569(14) Uani 1 1 d . U . . .
H18 H 0.683423 0.163566 0.706926 0.068 Uiso 1 1 calc R U . . .
C27 C 0.8855(3) 0.3932(4) 0.7557(4) 0.0470(12) Uani 1 1 d . U . . .
H27 H 0.918458 0.387480 0.795032 0.056 Uiso 1 1 calc R U . . .
C17 C 0.6012(4) 0.2006(5) 0.7352(4) 0.0599(15) Uani 1 1 d . U . . .
H17 H 0.605303 0.165427 0.776398 0.072 Uiso 1 1 calc R U . . .
C11 C 0.4141(4) 0.2680(5) 0.8460(4) 0.0621(14) Uani 1 1 d . U . . .
C28 C 0.8508(3) 0.3238(4) 0.7332(4) 0.0502(14) Uani 1 1 d . U . . .
H28 H 0.859307 0.270178 0.757238 0.060 Uiso 1 1 calc R U . . .
C16 C 0.5484(4) 0.2536(5) 0.7181(4) 0.0600(14) Uani 1 1 d . U . . .
C22 C 0.7200(4) 0.5062(5) 0.5545(4) 0.0603(16) Uani 1 1 d . U . . .
H22 H 0.685296 0.513471 0.517167 0.072 Uiso 1 1 calc R U . . .
C14 C 0.4591(4) 0.2607(5) 0.7991(4) 0.0629(16) Uani 1 1 d . U . . .
C19 C 0.5920(3) 0.2964(5) 0.6168(4) 0.0564(14) Uani 1 1 d . U . . .
H19 H 0.589372 0.331105 0.575437 0.068 Uiso 1 1 calc R U . . .
C23 C 0.7536(4) 0.5743(5) 0.5788(4) 0.0632(17) Uani 1 1 d . U . . .
H23 H 0.743023 0.628985 0.557368 0.076 Uiso 1 1 calc R U . . .
C15 C 0.4989(4) 0.2564(5) 0.7602(4) 0.0641(16) Uani 1 1 d . U . . .
C40 C 0.7907(4) 0.0491(5) 0.5907(4) 0.0636(18) Uani 1 1 d . U . . .
H40A H 0.835027 0.064798 0.589533 0.095 Uiso 1 1 calc R U . . .
H40B H 0.781104 0.057707 0.638647 0.095 Uiso 1 1 calc R U . . .
H40C H 0.783952 -0.011908 0.577284 0.095 Uiso 1 1 calc R U . . .
C1 C 0.1985(4) 0.2785(5) 1.2109(5) 0.0670(16) Uani 1 1 d . U . . .
H1 H 0.211522 0.250963 1.255167 0.080 Uiso 1 1 calc R U . . .
C8 C 0.3300(4) 0.2853(5) 0.9427(5) 0.0659(15) Uani 1 1 d . U . . .
C12 C 0.3585(4) 0.3161(5) 0.8280(5) 0.0674(16) Uani 1 1 d . U . . .
H12 H 0.349071 0.342564 0.782741 0.081 Uiso 1 1 calc R U . . .
C7 C 0.2874(4) 0.2961(5) 0.9936(5) 0.0688(17) Uani 1 1 d . U . . .
C20 C 0.5438(4) 0.3018(5) 0.6558(4) 0.0594(14) Uani 1 1 d . U . . .
H20 H 0.507889 0.337495 0.640831 0.071 Uiso 1 1 calc R U . . .
C10 C 0.4256(4) 0.2270(5) 0.9107(5) 0.0675(16) Uani 1 1 d . U . . .
H10 H 0.462742 0.192770 0.922685 0.081 Uiso 1 1 calc R U . . .
C34 C 0.7673(2) 0.1692(4) 0.4946(3) 0.0640(10) Uani 1 1 d G U . . .
C33 C 0.7119(3) 0.2051(3) 0.4538(3) 0.0685(11) Uani 1 1 d G U . . .
C32 C 0.6582(2) 0.1631(4) 0.4738(3) 0.0672(11) Uani 1 1 d G U . . .
C31 C 0.6803(2) 0.1013(3) 0.5269(3) 0.0615(10) Uani 1 1 d G U . . .
C35 C 0.7477(2) 0.1050(3) 0.5398(3) 0.0586(10) Uani 1 1 d G U . . .
C2 C 0.2348(4) 0.2696(5) 1.1575(5) 0.0729(17) Uani 1 1 d . U . . .
H2 H 0.272389 0.235701 1.165769 0.088 Uiso 1 1 calc R U . . .
C9 C 0.3842(4) 0.2350(5) 0.9579(5) 0.0697(17) Uani 1 1 d . U . . .
H9 H 0.392807 0.205655 1.002007 0.084 Uiso 1 1 calc R U . . .
C5 C 0.1273(4) 0.3649(6) 1.1371(5) 0.0734(18) Uani 1 1 d . U . . .
H5 H 0.088975 0.397467 1.129530 0.088 Uiso 1 1 calc R U . . .
C13 C 0.3169(4) 0.3250(5) 0.8770(5) 0.0678(16) Uani 1 1 d . U . . .
H13 H 0.279335 0.358512 0.865191 0.081 Uiso 1 1 calc R U . . .
C6 C 0.2555(4) 0.3011(6) 1.0380(5) 0.0702(17) Uani 1 1 d . U . . .
C3 C 0.2174(4) 0.3093(6) 1.0917(5) 0.0677(15) Uani 1 1 d . U . . .
C37 C 0.5896(4) 0.1819(6) 0.4414(5) 0.090(3) Uani 1 1 d . U . . .
H37A H 0.578590 0.148817 0.397433 0.134 Uiso 1 1 calc R U . . .
H37B H 0.584664 0.243948 0.431079 0.134 Uiso 1 1 calc R U . . .
H37C H 0.561350 0.165035 0.474736 0.134 Uiso 1 1 calc R U . . .
C36 C 0.6394(4) 0.0408(5) 0.5633(6) 0.083(2) Uani 1 1 d . U . . .
H36A H 0.627545 -0.009863 0.533201 0.125 Uiso 1 1 calc R U . . .
H36B H 0.600882 0.071353 0.571391 0.125 Uiso 1 1 calc R U . . .
H36C H 0.663294 0.021909 0.608706 0.125 Uiso 1 1 calc R U . . .
C4 C 0.1629(4) 0.3589(6) 1.0829(5) 0.0753(18) Uani 1 1 d . U . . .
H4 H 0.149797 0.388908 1.039760 0.090 Uiso 1 1 calc R U . . .
C39 C 0.8345(5) 0.1939(7) 0.4878(6) 0.095(3) Uani 1 1 d . U . . .
H39A H 0.862798 0.180166 0.531864 0.143 Uiso 1 1 calc R U . . .
H39B H 0.836466 0.256163 0.478265 0.143 Uiso 1 1 calc R U . . .
H39C H 0.847880 0.161452 0.448664 0.143 Uiso 1 1 calc R U . . .
C38 C 0.7094(6) 0.2760(6) 0.4002(5) 0.099(3) Uani 1 1 d . U . . .
H38A H 0.672105 0.312412 0.402196 0.148 Uiso 1 1 calc R U . . .
H38B H 0.706578 0.250679 0.352850 0.148 Uiso 1 1 calc R U . . .
H38C H 0.747988 0.311337 0.410407 0.148 Uiso 1 1 calc R U . . .
C51 C 0.7964(7) 0.5230(9) 0.3856(9) 0.113(2) Uani 0.483(6) 1 d D U P A 1
F2 F 0.7993(7) 0.4540(8) 0.4260(6) 0.125(3) Uani 0.483(6) 1 d D U P A 1
F1 F 0.8557(7) 0.5550(10) 0.3933(8) 0.142(3) Uani 0.483(6) 1 d D U P A 1
F3 F 0.7551(8) 0.5814(8) 0.4019(7) 0.129(3) Uani 0.483(6) 1 d D U P A 1
S1 S 0.7744(7) 0.4952(10) 0.2944(10) 0.1063(19) Uani 0.483(6) 1 d D U P A 1
O6 O 0.7128(8) 0.4611(11) 0.2783(9) 0.126(3) Uani 0.483(6) 1 d D U P A 1
O5 O 0.8146(9) 0.4225(10) 0.2850(10) 0.120(3) Uani 0.483(6) 1 d D U P A 1
O7 O 0.7854(10) 0.5690(14) 0.2544(11) 0.112(3) Uani 0.483(6) 1 d D U P A 1
S2 S 0.9748(2) 0.4574(3) 0.9896(2) 0.0917(10) Uani 0.5 1 d . U P B 1
C52 C 0.9748(2) 0.4574(3) 0.9896(2) 0.0917(10) Uani 0.5 1 d . U P C 2
O9 O 0.9603(4) 0.4534(5) 0.9158(4) 0.1210(19) Uani 0.5 1 d . U P B 1
O10 O 0.9959(3) 0.3821(4) 1.0192(4) 0.1070(17) Uani 0.5 1 d . U P B 1
O8 O 0.9193(4) 0.4937(5) 1.0179(4) 0.132(2) Uani 0.5 1 d . U P B 1
F4 F 0.9959(3) 0.3821(4) 1.0192(4) 0.1070(17) Uani 0.5 1 d . U P C 2
F5 F 0.9603(4) 0.4534(5) 0.9158(4) 0.1210(19) Uani 0.5 1 d . U P C 2
F6 F 0.9193(4) 0.4937(5) 1.0179(4) 0.132(2) Uani 0.5 1 d . U P C 2
O7A O 0.7625(9) 0.5773(14) 0.2525(12) 0.109(4) Uani 0.517(6) 1 d . U P A 2
C51A C 0.7023(13) 0.5187(17) 0.3342(14) 0.114(2) Uani 0.517(6) 1 d . U P A 2
F3A F 0.6821(8) 0.4695(9) 0.3769(9) 0.150(4) Uani 0.517(6) 1 d . U P A 2
F2A F 0.6805(8) 0.5965(8) 0.3494(8) 0.133(3) Uani 0.517(6) 1 d . U P A 2
F1A F 0.6494(7) 0.5004(10) 0.2779(9) 0.149(4) Uani 0.517(6) 1 d . U P A 2
S1A S 0.7682(7) 0.5073(8) 0.2996(8) 0.0976(18) Uani 0.517(6) 1 d . U P A 2
O5A O 0.7744(8) 0.4191(11) 0.2830(9) 0.112(3) Uani 0.517(6) 1 d . U P A 2
O6A O 0.8156(9) 0.5328(12) 0.3586(10) 0.134(3) Uani 0.517(6) 1 d . U P A 2
C43 C 0.9746(8) 0.7159(10) 0.6491(5) 0.0697(17) Uani 0.480(10) 1 d DG U P D 1
C44 C 0.9450(8) 0.7858(10) 0.6794(7) 0.0679(17) Uani 0.480(10) 1 d DG U P D 1
C45 C 0.9664(8) 0.7851(9) 0.7535(6) 0.0648(18) Uani 0.480(10) 1 d DG U P D 1
C41 C 1.0092(7) 0.7146(10) 0.7691(5) 0.0655(18) Uani 0.480(10) 1 d DG U P D 1
C42 C 1.0142(7) 0.6719(8) 0.7045(8) 0.068(2) Uani 0.480(10) 1 d DG U P D 1
C50 C 0.9001(9) 0.8524(11) 0.6413(9) 0.079(4) Uani 0.480(10) 1 d D U P D 1
H50A H 0.900656 0.841834 0.590914 0.118 Uiso 0.480(10) 1 d R U P D 1
H50B H 0.897656 0.914854 0.649654 0.118 Uiso 0.480(10) 1 d R U P D 1
H50C H 0.863016 0.823714 0.655414 0.118 Uiso 0.480(10) 1 d R U P D 1
C49 C 0.9649(10) 0.6944(12) 0.5718(8) 0.086(4) Uani 0.480(10) 1 d D U P D 1
H49A H 0.978058 0.634443 0.565448 0.129 Uiso 0.480(10) 1 calc R U P D 1
H49B H 0.990464 0.733616 0.547420 0.129 Uiso 0.480(10) 1 calc R U P D 1
H49C H 0.919914 0.701129 0.551841 0.129 Uiso 0.480(10) 1 calc R U P D 1
C46 C 0.9501(9) 0.8485(10) 0.8070(8) 0.075(4) Uani 0.480(10) 1 d D U P D 1
H46A H 0.961811 0.824256 0.854627 0.112 Uiso 0.480(10) 1 calc R U P D 1
H46B H 0.904298 0.860204 0.798092 0.112 Uiso 0.480(10) 1 calc R U P D 1
H46C H 0.973398 0.902617 0.803441 0.112 Uiso 0.480(10) 1 calc R U P D 1
C47 C 1.0443(8) 0.6879(12) 0.8402(8) 0.079(4) Uani 0.480(10) 1 d D U P D 1
H47A H 1.020779 0.714686 0.874551 0.118 Uiso 0.480(10) 1 d R U P D 1
H47B H 1.084089 0.719526 0.839641 0.118 Uiso 0.480(10) 1 d R U P D 1
H47C H 1.053859 0.627436 0.853531 0.118 Uiso 0.480(10) 1 d R U P D 1
C48 C 1.0552(8) 0.5936(11) 0.6949(10) 0.080(4) Uani 0.480(10) 1 d D U P D 1
H48A H 1.092331 0.610665 0.673847 0.120 Uiso 0.480(10) 1 d R U P D 1
H48B H 1.069001 0.575595 0.744077 0.120 Uiso 0.480(10) 1 d R U P D 1
H48C H 1.033481 0.545235 0.668087 0.120 Uiso 0.480(10) 1 d R U P D 1
C43A C 0.9566(7) 0.7321(9) 0.6450(4) 0.0702(17) Uani 0.520(10) 1 d DG U P D 2
C44A C 0.9440(8) 0.7919(8) 0.6974(7) 0.0686(17) Uani 0.520(10) 1 d DG U P D 2
C45A C 0.9791(8) 0.7656(9) 0.7633(5) 0.0677(18) Uani 0.520(10) 1 d DG U P D 2
C41A C 1.0135(7) 0.6895(8) 0.7516(6) 0.0663(17) Uani 0.520(10) 1 d DG U P D 2
C42A C 0.9996(7) 0.6689(7) 0.6785(7) 0.0685(16) Uani 0.520(10) 1 d DG U P D 2
C50A C 0.9011(9) 0.8687(10) 0.6842(9) 0.086(4) Uani 0.520(10) 1 d D U P D 2
H50D H 0.869566 0.858445 0.641812 0.129 Uiso 0.520(10) 1 calc R U P D 2
H50E H 0.926161 0.920199 0.677070 0.129 Uiso 0.520(10) 1 calc R U P D 2
H50F H 0.879255 0.877748 0.724957 0.129 Uiso 0.520(10) 1 calc R U P D 2
C49A C 0.9300(9) 0.7309(11) 0.5680(7) 0.086(4) Uani 0.520(10) 1 d D U P D 2
H49D H 0.904903 0.678027 0.556878 0.129 Uiso 0.520(10) 1 calc R U P D 2
H49E H 0.964799 0.732190 0.540182 0.129 Uiso 0.520(10) 1 calc R U P D 2
H49F H 0.902698 0.781670 0.556309 0.129 Uiso 0.520(10) 1 calc R U P D 2
C46A C 0.9781(8) 0.8098(11) 0.8331(8) 0.078(3) Uani 0.520(10) 1 d D U P D 2
H46D H 0.934752 0.828696 0.836102 0.118 Uiso 0.520(10) 1 calc R U P D 2
H46E H 1.006409 0.860190 0.837083 0.118 Uiso 0.520(10) 1 calc R U P D 2
H46F H 0.992583 0.769187 0.871702 0.118 Uiso 0.520(10) 1 calc R U P D 2
C47A C 1.0535(7) 0.6379(10) 0.8088(8) 0.075(3) Uani 0.520(10) 1 d D U P D 2
H47D H 1.041775 0.652731 0.854782 0.113 Uiso 0.520(10) 1 calc R U P D 2
H47E H 1.098474 0.651412 0.809128 0.113 Uiso 0.520(10) 1 calc R U P D 2
H47F H 1.046361 0.575910 0.799681 0.113 Uiso 0.520(10) 1 calc R U P D 2
C48A C 1.0287(8) 0.5928(9) 0.6456(8) 0.078(4) Uani 0.520(10) 1 d D U P D 2
H48D H 1.029413 0.542259 0.676683 0.117 Uiso 0.520(10) 1 calc R U P D 2
H48E H 1.072189 0.607365 0.639296 0.117 Uiso 0.520(10) 1 calc R U P D 2
H48F H 1.003370 0.579571 0.599536 0.117 Uiso 0.520(10) 1 calc R U P D 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
Ir1 O1 2.071(5) . ?
Ir1 O2 2.062(5) . ?
Ir1 N2 2.117(6) . ?
Ir1 C34 2.150(5) . ?
Ir1 C33 2.154(5) . ?
Ir1 C32 2.148(5) . ?
Ir1 C31 2.142(5) . ?
Ir1 C35 2.143(5) . ?
Ir2 O3 2.062(5) . ?
Ir2 O4 2.060(5) . ?
Ir2 N1 2.103(6) 3_667 ?
Ir2 C43 2.181(16) . ?
Ir2 C44 2.168(18) . ?
Ir2 C45 2.173(17) . ?
Ir2 C41 2.190(15) . ?
Ir2 C43A 2.113(15) . ?
Ir2 C44A 2.122(17) . ?
Ir2 C45A 2.120(16) . ?
Ir2 C41A 2.110(14) . ?
Ir2 C42A 2.105(14) . ?
O1 C29 1.278(8) . ?
O2 C21 1.267(8) . ?
O3 C26 1.306(8) . ?
O4 C24 1.286(8) . ?
C25 C30 1.454(9) . ?
C25 C26 1.429(9) . ?
C25 C24 1.420(9) . ?
N2 C18 1.347(9) . ?
N2 C19 1.329(9) . ?
C30 C29 1.436(9) . ?
C30 C21 1.417(9) . ?
N1 C1 1.348(9) . ?
N1 C5 1.348(10) . ?
C26 C27 1.425(9) . ?
C29 C28 1.454(9) . ?
C21 C22 1.467(10) . ?
C24 C23 1.426(10) . ?
C18 H18 0.9500 . ?
C18 C17 1.358(10) . ?
C27 H27 0.9500 . ?
C27 C28 1.334(9) . ?
C17 H17 0.9500 . ?
C17 C16 1.387(11) . ?
C11 C14 1.417(11) . ?
C11 C12 1.394(11) . ?
C11 C10 1.379(11) . ?
C28 H28 0.9500 . ?
C16 C15 1.427(11) . ?
C16 C20 1.397(11) . ?
C22 H22 0.9500 . ?
C22 C23 1.315(10) . ?
C14 C15 1.216(10) . ?
C19 H19 0.9500 . ?
C19 C20 1.366(10) . ?
C23 H23 0.9500 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C40 C35 1.501(8) . ?
C1 H1 0.9500 . ?
C1 C2 1.382(11) . ?
C8 C7 1.444(11) . ?
C8 C9 1.384(11) . ?
C8 C13 1.388(12) . ?
C12 H12 0.9500 . ?
C12 C13 1.397(11) . ?
C7 C6 1.172(11) . ?
C20 H20 0.9500 . ?
C10 H10 0.9500 . ?
C10 C9 1.364(11) . ?
C34 C33 1.4200 . ?
C34 C35 1.4200 . ?
C34 C39 1.509(10) . ?
C33 C32 1.4200 . ?
C33 C38 1.496(9) . ?
C32 C31 1.4200 . ?
C32 C37 1.523(9) . ?
C31 C35 1.4200 . ?
C31 C36 1.520(9) . ?
C2 H2 0.9500 . ?
C2 C3 1.396(12) . ?
C9 H9 0.9500 . ?
C5 H5 0.9500 . ?
C5 C4 1.382(12) . ?
C13 H13 0.9500 . ?
C6 C3 1.412(11) . ?
C3 C4 1.381(11) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C4 H4 0.9500 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C51 F2 1.312(12) . ?
C51 F1 1.344(12) . ?
C51 F3 1.331(12) . ?
C51 S1 1.788(17) . ?
S1 O6 1.403(13) . ?
S1 O5 1.442(12) . ?
S1 O7 1.412(12) . ?
S2 S2 1.705(9) 3_767 ?
S2 O9 1.400(8) . ?
S2 O10 1.339(7) . ?
S2 O8 1.487(8) . ?
C52 F4 1.339(7) . ?
C52 F5 1.400(8) . ?
C52 F6 1.487(8) . ?
O7A S1A 1.401(17) . ?
C51A F3A 1.24(2) . ?
C51A F2A 1.34(3) . ?
C51A F1A 1.46(3) . ?
C51A S1A 1.66(3) . ?
S1A O5A 1.41(2) . ?
S1A O6A 1.45(2) . ?
C43 C44 1.4200 . ?
C43 C42 1.4200 . ?
C43 C49 1.500(14) . ?
C44 C45 1.4200 . ?
C44 C50 1.510(13) . ?
C45 C41 1.4200 . ?
C45 C46 1.498(13) . ?
C41 C42 1.4200 . ?
C41 C47 1.504(14) . ?
C42 C48 1.519(13) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9801 . ?
C50 H50C 0.9807 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9797 . ?
C47 H47B 0.9803 . ?
C47 H47C 0.9801 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9799 . ?
C43A C44A 1.4200 . ?
C43A C42A 1.4200 . ?
C43A C49A 1.495(13) . ?
C44A C45A 1.4200 . ?
C44A C50A 1.494(13) . ?
C45A C41A 1.4200 . ?
C45A C46A 1.504(13) . ?
C41A C42A 1.4200 . ?
C41A C47A 1.505(13) . ?
C42A C48A 1.511(12) . ?
C50A H50D 0.9800 . ?
C50A H50E 0.9800 . ?
C50A H50F 0.9800 . ?
C49A H49D 0.9800 . ?
C49A H49E 0.9800 . ?
C49A H49F 0.9800 . ?
C46A H46D 0.9800 . ?
C46A H46E 0.9800 . ?
C46A H46F 0.9800 . ?
C47A H47D 0.9800 . ?
C47A H47E 0.9800 . ?
C47A H47F 0.9800 . ?
C48A H48D 0.9800 . ?
C48A H48E 0.9800 . ?
C48A H48F 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
O1 Ir1 N2 83.5(2) . . ?
O1 Ir1 C34 103.35(19) . . ?
O1 Ir1 C33 137.2(2) . . ?
O1 Ir1 C32 162.62(18) . . ?
O1 Ir1 C31 125.94(19) . . ?
O1 Ir1 C35 97.95(18) . . ?
O2 Ir1 O1 86.30(18) . . ?
O2 Ir1 N2 82.8(2) . . ?
O2 Ir1 C34 113.98(19) . . ?
O2 Ir1 C33 93.92(18) . . ?
O2 Ir1 C32 109.75(19) . . ?
O2 Ir1 C31 147.7(2) . . ?
O2 Ir1 C35 152.57(19) . . ?
N2 Ir1 C34 162.0(2) . . ?
N2 Ir1 C33 139.1(2) . . ?
N2 Ir1 C32 104.6(2) . . ?
N2 Ir1 C31 97.7(2) . . ?
N2 Ir1 C35 124.6(2) . . ?
C34 Ir1 C33 38.53(9) . . ?
C32 Ir1 C34 64.62(11) . . ?
C32 Ir1 C33 38.55(9) . . ?
C31 Ir1 C34 64.74(10) . . ?
C31 Ir1 C33 64.68(11) . . ?
C31 Ir1 C32 38.66(8) . . ?
C31 Ir1 C35 38.71(8) . . ?
C35 Ir1 C34 38.63(8) . . ?
C35 Ir1 C33 64.66(11) . . ?
C35 Ir1 C32 64.75(10) . . ?
O3 Ir2 N1 82.4(2) . 3_667 ?
O3 Ir2 C43 121.4(4) . . ?
O3 Ir2 C44 159.0(4) . . ?
O3 Ir2 C45 141.3(4) . . ?
O3 Ir2 C41 106.1(4) . . ?
O3 Ir2 C43A 130.9(4) . . ?
O3 Ir2 C44A 163.4(4) . . ?
O3 Ir2 C45A 130.3(4) . . ?
O3 Ir2 C41A 98.5(3) . . ?
O3 Ir2 C42A 98.8(3) . . ?
O4 Ir2 O3 86.86(19) . . ?
O4 Ir2 N1 84.0(2) . 3_667 ?
O4 Ir2 C43 100.4(4) . . ?
O4 Ir2 C44 100.4(4) . . ?
O4 Ir2 C45 131.6(4) . . ?
O4 Ir2 C41 162.9(3) . . ?
O4 Ir2 C43A 92.9(4) . . ?
O4 Ir2 C44A 105.4(4) . . ?
O4 Ir2 C45A 142.8(4) . . ?
O4 Ir2 C41A 156.1(4) . . ?
O4 Ir2 C42A 116.9(4) . . ?
N1 Ir2 C43 155.7(4) 3_667 . ?
N1 Ir2 C44 117.7(4) 3_667 . ?
N1 Ir2 C45 95.4(4) 3_667 . ?
N1 Ir2 C41 108.4(4) 3_667 . ?
N1 Ir2 C43A 146.4(4) 3_667 . ?
N1 Ir2 C44A 109.6(4) 3_667 . ?
N1 Ir2 C45A 97.3(4) 3_667 . ?
N1 Ir2 C41A 119.8(4) 3_667 . ?
N1 Ir2 C42A 159.1(4) 3_667 . ?
C43 Ir2 C41 63.4(3) . . ?
C44 Ir2 C43 38.1(3) . . ?
C44 Ir2 C45 38.2(3) . . ?
C44 Ir2 C41 63.6(3) . . ?
C45 Ir2 C43 63.7(4) . . ?
C45 Ir2 C41 38.0(3) . . ?
C43A Ir2 C44A 39.2(3) . . ?
C43A Ir2 C45A 65.7(4) . . ?
C45A Ir2 C44A 39.1(3) . . ?
C41A Ir2 C43A 65.9(3) . . ?
C41A Ir2 C44A 65.8(3) . . ?
C41A Ir2 C45A 39.2(3) . . ?
C42A Ir2 C43A 39.3(2) . . ?
C42A Ir2 C44A 65.8(3) . . ?
C42A Ir2 C45A 65.9(3) . . ?
C42A Ir2 C41A 39.4(2) . . ?
C29 O1 Ir1 127.6(4) . . ?
C21 O2 Ir1 128.0(4) . . ?
C26 O3 Ir2 128.8(4) . . ?
C24 O4 Ir2 129.0(4) . . ?
C26 C25 C30 118.2(6) . . ?
C24 C25 C30 118.9(6) . . ?
C24 C25 C26 122.7(6) . . ?
C18 N2 Ir1 120.0(5) . . ?
C19 N2 Ir1 122.0(5) . . ?
C19 N2 C18 117.8(7) . . ?
C29 C30 C25 120.1(6) . . ?
C21 C30 C25 120.5(6) . . ?
C21 C30 C29 119.5(6) . . ?
C1 N1 Ir2 121.7(6) . 3_667 ?
C5 N1 Ir2 119.2(5) . 3_667 ?
C5 N1 C1 119.0(7) . . ?
O3 C26 C25 125.7(6) . . ?
O3 C26 C27 114.7(6) . . ?
C27 C26 C25 119.6(6) . . ?
O1 C29 C30 128.0(6) . . ?
O1 C29 C28 114.0(6) . . ?
C30 C29 C28 118.0(6) . . ?
O2 C21 C30 128.8(6) . . ?
O2 C21 C22 113.9(6) . . ?
C30 C21 C22 117.2(6) . . ?
O4 C24 C25 126.1(6) . . ?
O4 C24 C23 115.0(6) . . ?
C25 C24 C23 118.8(6) . . ?
N2 C18 H18 119.0 . . ?
N2 C18 C17 122.1(7) . . ?
C17 C18 H18 119.0 . . ?
C26 C27 H27 118.9 . . ?
C28 C27 C26 122.2(6) . . ?
C28 C27 H27 118.9 . . ?
C18 C17 H17 119.8 . . ?
C18 C17 C16 120.4(8) . . ?
C16 C17 H17 119.8 . . ?
C12 C11 C14 121.2(8) . . ?
C10 C11 C14 119.5(8) . . ?
C10 C11 C12 119.2(8) . . ?
C29 C28 H28 119.3 . . ?
C27 C28 C29 121.3(6) . . ?
C27 C28 H28 119.3 . . ?
C17 C16 C15 122.0(8) . . ?
C17 C16 C20 117.3(7) . . ?
C20 C16 C15 120.5(7) . . ?
C21 C22 H22 119.1 . . ?
C23 C22 C21 121.8(7) . . ?
C23 C22 H22 119.1 . . ?
C15 C14 C11 177.9(9) . . ?
N2 C19 H19 118.1 . . ?
N2 C19 C20 123.8(7) . . ?
C20 C19 H19 118.1 . . ?
C24 C23 H23 118.6 . . ?
C22 C23 C24 122.7(7) . . ?
C22 C23 H23 118.6 . . ?
C14 C15 C16 176.3(9) . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C35 C40 H40A 109.5 . . ?
C35 C40 H40B 109.5 . . ?
C35 C40 H40C 109.5 . . ?
N1 C1 H1 119.9 . . ?
N1 C1 C2 120.3(8) . . ?
C2 C1 H1 119.9 . . ?
C9 C8 C7 121.1(8) . . ?
C9 C8 C13 118.6(8) . . ?
C13 C8 C7 120.3(8) . . ?
C11 C12 H12 120.2 . . ?
C11 C12 C13 119.5(9) . . ?
C13 C12 H12 120.2 . . ?
C6 C7 C8 175.4(10) . . ?
C16 C20 H20 120.7 . . ?
C19 C20 C16 118.6(7) . . ?
C19 C20 H20 120.7 . . ?
C11 C10 H10 119.5 . . ?
C9 C10 C11 120.9(8) . . ?
C9 C10 H10 119.5 . . ?
C33 C34 Ir1 70.9(2) . . ?
C33 C34 C35 108.0 . . ?
C33 C34 C39 124.8(6) . . ?
C35 C34 Ir1 70.4(2) . . ?
C35 C34 C39 127.1(6) . . ?
C39 C34 Ir1 126.2(5) . . ?
C34 C33 Ir1 70.6(2) . . ?
C34 C33 C38 126.8(6) . . ?
C32 C33 Ir1 70.5(2) . . ?
C32 C33 C34 108.0 . . ?
C32 C33 C38 125.2(6) . . ?
C38 C33 Ir1 123.4(5) . . ?
C33 C32 Ir1 70.9(2) . . ?
C33 C32 C31 108.0 . . ?
C33 C32 C37 124.5(6) . . ?
C31 C32 Ir1 70.4(2) . . ?
C31 C32 C37 127.5(6) . . ?
C37 C32 Ir1 125.1(5) . . ?
C32 C31 Ir1 70.9(2) . . ?
C32 C31 C35 108.0 . . ?
C32 C31 C36 126.2(5) . . ?
C35 C31 Ir1 70.7(2) . . ?
C35 C31 C36 125.8(5) . . ?
C36 C31 Ir1 124.5(5) . . ?
C40 C35 Ir1 125.4(4) . . ?
C34 C35 Ir1 71.0(2) . . ?
C34 C35 C40 126.1(5) . . ?
C31 C35 Ir1 70.6(2) . . ?
C31 C35 C40 125.8(5) . . ?
C31 C35 C34 108.0 . . ?
C1 C2 H2 119.2 . . ?
C1 C2 C3 121.7(8) . . ?
C3 C2 H2 119.2 . . ?
C8 C9 H9 119.4 . . ?
C10 C9 C8 121.1(9) . . ?
C10 C9 H9 119.4 . . ?
N1 C5 H5 118.8 . . ?
N1 C5 C4 122.4(8) . . ?
C4 C5 H5 118.8 . . ?
C8 C13 C12 120.5(8) . . ?
C8 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
C7 C6 C3 178.6(10) . . ?
C2 C3 C6 121.2(8) . . ?
C4 C3 C2 116.7(8) . . ?
C4 C3 C6 122.1(9) . . ?
C32 C37 H37A 109.5 . . ?
C32 C37 H37B 109.5 . . ?
C32 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C31 C36 H36A 109.5 . . ?
C31 C36 H36B 109.5 . . ?
C31 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C5 C4 H4 120.0 . . ?
C3 C4 C5 119.9(9) . . ?
C3 C4 H4 120.0 . . ?
C34 C39 H39A 109.5 . . ?
C34 C39 H39B 109.5 . . ?
C34 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C33 C38 H38A 109.5 . . ?
C33 C38 H38B 109.5 . . ?
C33 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
F2 C51 F1 106.1(13) . . ?
F2 C51 F3 112.6(14) . . ?
F2 C51 S1 111.1(12) . . ?
F1 C51 S1 106.9(12) . . ?
F3 C51 F1 111.9(15) . . ?
F3 C51 S1 108.1(12) . . ?
O6 S1 C51 113.3(12) . . ?
O6 S1 O5 103.6(13) . . ?
O6 S1 O7 114.5(15) . . ?
O5 S1 C51 103.9(12) . . ?
O7 S1 C51 107.2(12) . . ?
O7 S1 O5 113.9(14) . . ?
O9 S2 S2 107.4(5) . 3_767 ?
O9 S2 O8 108.8(6) . . ?
O10 S2 S2 114.5(5) . 3_767 ?
O10 S2 O9 113.3(5) . . ?
O10 S2 O8 114.0(5) . . ?
O8 S2 S2 97.5(5) . 3_767 ?
F4 C52 F5 113.3(5) . . ?
F4 C52 F6 114.0(5) . . ?
F5 C52 F6 108.8(6) . . ?
F3A C51A F2A 104(2) . . ?
F3A C51A F1A 93.4(19) . . ?
F3A C51A S1A 127(2) . . ?
F2A C51A F1A 95(2) . . ?
F2A C51A S1A 122.0(18) . . ?
F1A C51A S1A 106.8(18) . . ?
O7A S1A C51A 100.6(13) . . ?
O7A S1A O5A 127.0(16) . . ?
O7A S1A O6A 105.8(14) . . ?
O5A S1A C51A 108.0(14) . . ?
O5A S1A O6A 111.1(14) . . ?
O6A S1A C51A 101.0(16) . . ?
C44 C43 Ir2 70.4(6) . . ?
C44 C43 C49 124.8(11) . . ?
C42 C43 Ir2 71.6(6) . . ?
C42 C43 C44 108.0 . . ?
C42 C43 C49 127.2(11) . . ?
C49 C43 Ir2 123.9(13) . . ?
C43 C44 Ir2 71.4(6) . . ?
C43 C44 C45 108.0 . . ?
C43 C44 C50 127.5(11) . . ?
C45 C44 Ir2 71.1(6) . . ?
C45 C44 C50 124.5(11) . . ?
C50 C44 Ir2 124.5(14) . . ?
C44 C45 Ir2 70.7(6) . . ?
C44 C45 C46 127.3(11) . . ?
C41 C45 Ir2 71.6(6) . . ?
C41 C45 C44 108.0 . . ?
C41 C45 C46 124.6(11) . . ?
C46 C45 Ir2 125.4(13) . . ?
C45 C41 Ir2 70.4(6) . . ?
C45 C41 C42 108.0 . . ?
C45 C41 C47 127.6(11) . . ?
C42 C41 Ir2 71.3(6) . . ?
C42 C41 C47 124.4(11) . . ?
C47 C41 Ir2 124.3(12) . . ?
C43 C42 Ir2 70.5(6) . . ?
C43 C42 C41 108.0 . . ?
C43 C42 C48 125.2(11) . . ?
C41 C42 Ir2 70.9(6) . . ?
C41 C42 C48 126.8(11) . . ?
C48 C42 Ir2 124.7(12) . . ?
C44 C50 H50A 104.9 . . ?
C44 C50 H50B 129.5 . . ?
C44 C50 H50C 92.1 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.4 . . ?
H50B C50 H50C 109.4 . . ?
C43 C49 H49A 109.5 . . ?
C43 C49 H49B 109.5 . . ?
C43 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C41 C47 H47A 104.9 . . ?
C41 C47 H47B 99.2 . . ?
C41 C47 H47C 123.4 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.4 . . ?
C42 C48 H48A 110.7 . . ?
C42 C48 H48B 101.5 . . ?
C42 C48 H48C 115.9 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.4 . . ?
C44A C43A Ir2 70.8(6) . . ?
C44A C43A C42A 108.0 . . ?
C44A C43A C49A 128.4(10) . . ?
C42A C43A Ir2 70.0(6) . . ?
C42A C43A C49A 123.6(10) . . ?
C49A C43A Ir2 123.6(12) . . ?
C43A C44A Ir2 70.1(6) . . ?
C43A C44A C45A 108.0 . . ?
C43A C44A C50A 125.1(10) . . ?
C45A C44A Ir2 70.4(5) . . ?
C45A C44A C50A 126.9(10) . . ?
C50A C44A Ir2 125.2(13) . . ?
C44A C45A Ir2 70.5(6) . . ?
C44A C45A C46A 125.5(10) . . ?
C41A C45A Ir2 70.0(6) . . ?
C41A C45A C44A 108.0 . . ?
C41A C45A C46A 126.5(10) . . ?
C46A C45A Ir2 123.8(12) . . ?
C45A C41A Ir2 70.8(6) . . ?
C45A C41A C42A 108.0 . . ?
C45A C41A C47A 124.8(10) . . ?
C42A C41A Ir2 70.1(6) . . ?
C42A C41A C47A 127.1(10) . . ?
C47A C41A Ir2 121.5(11) . . ?
C43A C42A Ir2 70.6(6) . . ?
C43A C42A C48A 128.6(10) . . ?
C41A C42A Ir2 70.5(6) . . ?
C41A C42A C43A 108.0 . . ?
C41A C42A C48A 123.4(10) . . ?
C48A C42A Ir2 125.7(11) . . ?
C44A C50A H50D 109.5 . . ?
C44A C50A H50E 109.5 . . ?
C44A C50A H50F 109.5 . . ?
H50D C50A H50E 109.5 . . ?
H50D C50A H50F 109.5 . . ?
H50E C50A H50F 109.5 . . ?
C43A C49A H49D 109.5 . . ?
C43A C49A H49E 109.5 . . ?
C43A C49A H49F 109.5 . . ?
H49D C49A H49E 109.5 . . ?
H49D C49A H49F 109.5 . . ?
H49E C49A H49F 109.5 . . ?
C45A C46A H46D 109.5 . . ?
C45A C46A H46E 109.5 . . ?
C45A C46A H46F 109.5 . . ?
H46D C46A H46E 109.5 . . ?
H46D C46A H46F 109.5 . . ?
H46E C46A H46F 109.5 . . ?
C41A C47A H47D 109.5 . . ?
C41A C47A H47E 109.5 . . ?
C41A C47A H47F 109.5 . . ?
H47D C47A H47E 109.5 . . ?
H47D C47A H47F 109.5 . . ?
H47E C47A H47F 109.5 . . ?
C42A C48A H48D 109.5 . . ?
C42A C48A H48E 109.5 . . ?
C42A C48A H48F 109.5 . . ?
H48D C48A H48E 109.5 . . ?
H48D C48A H48F 109.5 . . ?
H48E C48A H48F 109.5 . . ?

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
Ir1 O1 C29 C30 7.9(10) . . . . ?
Ir1 O1 C29 C28 -171.4(4) . . . . ?
Ir1 O2 C21 C30 -8.2(11) . . . . ?
Ir1 O2 C21 C22 170.8(5) . . . . ?
Ir1 N2 C18 C17 -172.5(6) . . . . ?
Ir1 N2 C19 C20 172.2(6) . . . . ?
Ir1 C34 C33 C32 -60.9(2) . . . . ?
Ir1 C34 C33 C38 117.8(7) . . . . ?
Ir1 C34 C35 C40 -120.5(6) . . . . ?
Ir1 C34 C35 C31 61.2(2) . . . . ?
Ir1 C33 C32 C31 -61.0(2) . . . . ?
Ir1 C33 C32 C37 120.1(6) . . . . ?
Ir1 C32 C31 C35 -61.3(2) . . . . ?
Ir1 C32 C31 C36 119.3(6) . . . . ?
Ir1 C31 C35 C40 120.2(6) . . . . ?
Ir1 C31 C35 C34 -61.5(2) . . . . ?
Ir2 O3 C26 C25 1.8(9) . . . . ?
Ir2 O3 C26 C27 -175.4(4) . . . . ?
Ir2 O4 C24 C25 11.9(11) . . . . ?
Ir2 O4 C24 C23 -169.9(5) . . . . ?
Ir2 N1 C1 C2 175.5(6) 3_667 . . . ?
Ir2 N1 C5 C4 -176.9(7) 3_667 . . . ?
Ir2 C43 C44 C45 62.1(6) . . . . ?
Ir2 C43 C44 C50 -119.7(19) . . . . ?
Ir2 C43 C42 C41 -61.4(6) . . . . ?
Ir2 C43 C42 C48 119.4(16) . . . . ?
Ir2 C44 C45 C41 62.3(6) . . . . ?
Ir2 C44 C45 C46 -120.3(17) . . . . ?
Ir2 C45 C41 C42 61.7(6) . . . . ?
Ir2 C45 C41 C47 -118.7(16) . . . . ?
Ir2 C41 C42 C43 61.1(6) . . . . ?
Ir2 C41 C42 C48 -119.6(16) . . . . ?
Ir2 C43A C44A C45A 60.4(5) . . . . ?
Ir2 C43A C44A C50A -119.6(17) . . . . ?
Ir2 C43A C42A C41A -60.9(6) . . . . ?
Ir2 C43A C42A C48A 120.7(15) . . . . ?
Ir2 C44A C45A C41A 60.2(5) . . . . ?
Ir2 C44A C45A C46A -118.2(15) . . . . ?
Ir2 C45A C41A C42A 60.6(6) . . . . ?
Ir2 C45A C41A C47A -115.5(14) . . . . ?
Ir2 C41A C42A C43A 61.0(6) . . . . ?
Ir2 C41A C42A C48A -120.5(14) . . . . ?
O1 C29 C28 C27 174.8(6) . . . . ?
O2 C21 C22 C23 -176.9(8) . . . . ?
O3 C26 C27 C28 -176.2(6) . . . . ?
O4 C24 C23 C22 -178.2(8) . . . . ?
C25 C30 C29 O1 -178.0(6) . . . . ?
C25 C30 C29 C28 1.3(9) . . . . ?
C25 C30 C21 O2 178.1(7) . . . . ?
C25 C30 C21 C22 -0.9(10) . . . . ?
C25 C26 C27 C28 6.5(10) . . . . ?
C25 C24 C23 C22 0.1(12) . . . . ?
N2 C18 C17 C16 -2.1(12) . . . . ?
N2 C19 C20 C16 2.5(12) . . . . ?
C30 C25 C26 O3 173.5(6) . . . . ?
C30 C25 C26 C27 -9.5(9) . . . . ?
C30 C25 C24 O4 179.3(6) . . . . ?
C30 C25 C24 C23 1.2(10) . . . . ?
C30 C29 C28 C27 -4.6(10) . . . . ?
C30 C21 C22 C23 2.2(11) . . . . ?
N1 C1 C2 C3 0.2(13) . . . . ?
N1 C5 C4 C3 2.4(14) . . . . ?
C26 C25 C30 C29 5.6(9) . . . . ?
C26 C25 C30 C21 -175.6(6) . . . . ?
C26 C25 C24 O4 -6.1(11) . . . . ?
C26 C25 C24 C23 175.8(7) . . . . ?
C26 C27 C28 C29 0.8(11) . . . . ?
C29 C30 C21 O2 -3.1(11) . . . . ?
C29 C30 C21 C22 177.9(6) . . . . ?
C21 C30 C29 O1 3.2(10) . . . . ?
C21 C30 C29 C28 -177.5(6) . . . . ?
C21 C22 C23 C24 -1.8(13) . . . . ?
C24 C25 C30 C29 -179.5(6) . . . . ?
C24 C25 C30 C21 -0.8(9) . . . . ?
C24 C25 C26 O3 -1.1(10) . . . . ?
C24 C25 C26 C27 175.9(6) . . . . ?
C18 N2 C19 C20 -2.4(11) . . . . ?
C18 C17 C16 C15 179.1(8) . . . . ?
C18 C17 C16 C20 2.0(12) . . . . ?
C17 C16 C20 C19 -2.2(11) . . . . ?
C11 C12 C13 C8 -1.0(12) . . . . ?
C11 C10 C9 C8 -0.8(13) . . . . ?
C14 C11 C12 C13 -177.0(7) . . . . ?
C14 C11 C10 C9 177.9(7) . . . . ?
C19 N2 C18 C17 2.2(11) . . . . ?
C15 C16 C20 C19 -179.3(7) . . . . ?
C1 N1 C5 C4 -1.2(13) . . . . ?
C1 C2 C3 C6 178.7(8) . . . . ?
C1 C2 C3 C4 1.0(13) . . . . ?
C12 C11 C10 C9 -1.9(12) . . . . ?
C7 C8 C9 C10 -177.8(8) . . . . ?
C7 C8 C13 C12 178.8(7) . . . . ?
C10 C11 C12 C13 2.7(11) . . . . ?
C34 C33 C32 Ir1 61.0(2) . . . . ?
C34 C33 C32 C31 0.0 . . . . ?
C34 C33 C32 C37 -178.9(7) . . . . ?
C33 C34 C35 Ir1 -61.2(2) . . . . ?
C33 C34 C35 C40 178.3(7) . . . . ?
C33 C34 C35 C31 0.0 . . . . ?
C33 C32 C31 Ir1 61.3(2) . . . . ?
C33 C32 C31 C35 0.0 . . . . ?
C33 C32 C31 C36 -179.4(7) . . . . ?
C32 C31 C35 Ir1 61.5(2) . . . . ?
C32 C31 C35 C40 -178.3(6) . . . . ?
C32 C31 C35 C34 0.0 . . . . ?
C35 C34 C33 Ir1 60.9(2) . . . . ?
C35 C34 C33 C32 0.0 . . . . ?
C35 C34 C33 C38 178.7(7) . . . . ?
C2 C3 C4 C5 -2.2(13) . . . . ?
C9 C8 C13 C12 -1.6(12) . . . . ?
C5 N1 C1 C2 -0.1(12) . . . . ?
C13 C8 C9 C10 2.5(12) . . . . ?
C6 C3 C4 C5 -179.9(8) . . . . ?
C37 C32 C31 Ir1 -119.8(6) . . . . ?
C37 C32 C31 C35 178.9(7) . . . . ?
C37 C32 C31 C36 -0.5(9) . . . . ?
C36 C31 C35 Ir1 -119.1(6) . . . . ?
C36 C31 C35 C40 1.1(8) . . . . ?
C36 C31 C35 C34 179.4(7) . . . . ?
C39 C34 C33 Ir1 -121.3(7) . . . . ?
C39 C34 C33 C32 177.8(7) . . . . ?
C39 C34 C33 C38 -3.5(9) . . . . ?
C39 C34 C35 Ir1 121.1(7) . . . . ?
C39 C34 C35 C40 0.6(9) . . . . ?
C39 C34 C35 C31 -177.7(8) . . . . ?
C38 C33 C32 Ir1 -117.8(6) . . . . ?
C38 C33 C32 C31 -178.7(7) . . . . ?
C38 C33 C32 C37 2.3(9) . . . . ?
F2 C51 S1 O6 64.9(16) . . . . ?
F2 C51 S1 O5 -46.8(15) . . . . ?
F2 C51 S1 O7 -167.8(14) . . . . ?
F1 C51 S1 O6 -179.7(14) . . . . ?
F1 C51 S1 O5 68.6(14) . . . . ?
F1 C51 S1 O7 -52.4(15) . . . . ?
F3 C51 S1 O6 -59.1(15) . . . . ?
F3 C51 S1 O5 -170.8(13) . . . . ?
F3 C51 S1 O7 68.2(14) . . . . ?
F3A C51A S1A O7A 176(3) . . . . ?
F3A C51A S1A O5A 41(3) . . . . ?
F3A C51A S1A O6A -76(3) . . . . ?
F2A C51A S1A O7A -39(3) . . . . ?
F2A C51A S1A O5A -174(2) . . . . ?
F2A C51A S1A O6A 69(2) . . . . ?
F1A C51A S1A O7A 68(2) . . . . ?
F1A C51A S1A O5A -67.1(19) . . . . ?
F1A C51A S1A O6A 176.2(16) . . . . ?
C43 C44 C45 Ir2 -62.3(6) . . . . ?
C43 C44 C45 C41 0.0 . . . . ?
C43 C44 C45 C46 177(2) . . . . ?
C44 C43 C42 Ir2 61.4(6) . . . . ?
C44 C43 C42 C41 0.0 . . . . ?
C44 C43 C42 C48 -179.3(18) . . . . ?
C44 C45 C41 Ir2 -61.7(6) . . . . ?
C44 C45 C41 C42 0.0 . . . . ?
C44 C45 C41 C47 179.6(19) . . . . ?
C45 C41 C42 Ir2 -61.1(6) . . . . ?
C45 C41 C42 C43 0.0 . . . . ?
C45 C41 C42 C48 179.2(19) . . . . ?
C42 C43 C44 Ir2 -62.1(6) . . . . ?
C42 C43 C44 C45 0.0 . . . . ?
C42 C43 C44 C50 178(2) . . . . ?
C50 C44 C45 Ir2 119.4(18) . . . . ?
C50 C44 C45 C41 -178(2) . . . . ?
C50 C44 C45 C46 -1(2) . . . . ?
C49 C43 C44 Ir2 118.3(17) . . . . ?
C49 C43 C44 C45 -179.6(19) . . . . ?
C49 C43 C44 C50 -1(2) . . . . ?
C49 C43 C42 Ir2 -119.0(18) . . . . ?
C49 C43 C42 C41 180(2) . . . . ?
C49 C43 C42 C48 0(2) . . . . ?
C46 C45 C41 Ir2 120.8(17) . . . . ?
C46 C45 C41 C42 -177.5(19) . . . . ?
C46 C45 C41 C47 2(2) . . . . ?
C47 C41 C42 Ir2 119.2(15) . . . . ?
C47 C41 C42 C43 -179.7(18) . . . . ?
C47 C41 C42 C48 0(2) . . . . ?
C43A C44A C45A Ir2 -60.2(5) . . . . ?
C43A C44A C45A C41A 0.0 . . . . ?
C43A C44A C45A C46A -178.4(18) . . . . ?
C44A C43A C42A Ir2 60.9(6) . . . . ?
C44A C43A C42A C41A 0.0 . . . . ?
C44A C43A C42A C48A -178.4(18) . . . . ?
C44A C45A C41A Ir2 -60.6(6) . . . . ?
C44A C45A C41A C42A 0.0 . . . . ?
C44A C45A C41A C47A -176.1(17) . . . . ?
C45A C41A C42A Ir2 -61.0(6) . . . . ?
C45A C41A C42A C43A 0.0 . . . . ?
C45A C41A C42A C48A 178.5(17) . . . . ?
C42A C43A C44A Ir2 -60.4(5) . . . . ?
C42A C43A C44A C45A 0.0 . . . . ?
C42A C43A C44A C50A 180(2) . . . . ?
C50A C44A C45A Ir2 119.8(17) . . . . ?
C50A C44A C45A C41A -180(2) . . . . ?
C50A C44A C45A C46A 2(2) . . . . ?
C49A C43A C44A Ir2 118.2(17) . . . . ?
C49A C43A C44A C45A 178.6(19) . . . . ?
C49A C43A C44A C50A -1(2) . . . . ?
C49A C43A C42A Ir2 -117.8(16) . . . . ?
C49A C43A C42A C41A -178.7(18) . . . . ?
C49A C43A C42A C48A 3(2) . . . . ?
C46A C45A C41A Ir2 117.8(16) . . . . ?
C46A C45A C41A C42A 178.4(18) . . . . ?
C46A C45A C41A C47A 2(2) . . . . ?
C47A C41A C42A Ir2 115.0(15) . . . . ?
C47A C41A C42A C43A 176.0(17) . . . . ?
C47A C41A C42A C48A -5(2) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 411 electrons were 
found in a volume of 1552Å³ in 2 voids per unit cell. 
This is consistent with the presence of 
0.56[CF3SO3], 5.2[CF3SO3] per Asymmetric Unit 
which account for 420 electrons 
per unit cell.
;
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 0.000 0.000 0.000 110.6 18.9 '0.28 CF3SO3'
2 0.000 0.500 0.500 110.6 18.9 '0.28 CF3SO3'
3 0.500 -0.098 -0.686 1329.7 373.4 '5.2 CF3SO3'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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. 
# 
#######################################################################

data_2
_database_code_depnum_ccdc_archive 'CCDC 2132804'
loop_
_audit_author_name
_audit_author_address
'li long dang'
;luoyang normal university
China
;
_audit_update_record             
;
2022-01-06 deposited with the CCDC.	2022-04-05 downloaded from the CCDC.
;
_audit_creation_date             2021-09-07
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.08.20 svn.r13c46975 for OlexSys, GUI svn.r6394)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C100 H104 N4 O8 Rh4, 4(C F3 O3 S), 3.5[CH3OH], 1[C6H14O]'
_chemical_formula_sum            'C113.50 H132 F12 N4 O24.50 Rh4 S4'
_chemical_formula_weight         2712.10
_chemical_absolute_configuration ?
_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'
F F 0.0171 0.0103 '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'
S S 0.1246 0.1234 '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           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   15.5383(4)
_cell_length_b                   19.2201(5)
_cell_length_c                   41.5739(12)
_cell_angle_alpha                90
_cell_angle_beta                 94.273(2)
_cell_angle_gamma                90
_cell_volume                     12381.4(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9782
_cell_measurement_temperature    173.00
_cell_measurement_theta_max      50.898
_cell_measurement_theta_min      3.268
_shelx_estimated_absorpt_T_max   0.948
_shelx_estimated_absorpt_T_min   0.929
_exptl_absorpt_coefficient_mu    0.677
_exptl_absorpt_correction_T_max  0.7508
_exptl_absorpt_correction_T_min  0.6270
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1332 before and 0.0715 after correction.
The Ratio of minimum to maximum transmission is 0.8351.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.455
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5556
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0664
_diffrn_reflns_av_unetI/netI     0.0697
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       50
_diffrn_reflns_limit_l_min       -50
_diffrn_reflns_number            158418
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.724
_diffrn_reflns_theta_min         1.474
_diffrn_ambient_temperature      173.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.930
_reflns_Friedel_fraction_full    0.995
_reflns_Friedel_fraction_max     0.988
_reflns_number_gt                32209
_reflns_number_total             46905
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.624
_refine_diff_density_min         -0.681
_refine_diff_density_rms         0.114
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.26(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2617
_refine_ls_number_reflns         46905
_refine_ls_number_restraints     7618
_refine_ls_R_factor_all          0.1100
_refine_ls_R_factor_gt           0.0834
_refine_ls_restrained_S_all      1.081
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1721P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2272
_refine_ls_wR_factor_ref         0.2525
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.74(4)
 0.26(4)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Restrained distances
 S6-C45
 1.7 with sigma of 0.02
 Rh7-C39
 2.9 with sigma of 0.02
 C155-Rh7
 2.9 with sigma of 0.02
 C205-C91 = C181-C103
 1.53 with sigma of 0.02
 C195-C135 = C203-C17 = C51-C137 = C49-C67
 1.53 with sigma of 0.02
 C103-C91
 2.65 with sigma of 0.02
 C81-C115 = C97-C57 = C5-C59 = C187-C117 = C29-C193
 1.53 with sigma of 0.02
 C103-C185
 2.65 with sigma of 0.02
 C49-C69
 2.65 with sigma of 0.02
 C51-C137 = C203-C17
 1.53 with sigma of 0.02
 C193-C117
 2.65 with sigma of 0.02
 C49-C135
 2.65 with sigma of 0.02
 C193-C115
 2.65 with sigma of 0.02
 C195-C67
 2.65 with sigma of 0.02
 S5-C197 = S4-C188
 1.7 with sigma of 0.02
 C195-C17
 2.65 with sigma of 0.02
 S5-C197
 1.7 with sigma of 0.02
 C203-C137
 2.65 with sigma of 0.02
 F11-C197 = F13-C197 = F2-C197 = F1-C188 = F4-C188 = F10-C188
 1.3 with sigma of 0.02
 C203-C135
 2.65 with sigma of 0.02
 S7-O35 = S7-O37 = S7-O9
 1.41 with sigma of 0.02
 F19-C99 = F5-C99 = F21-C99
 1.31 with sigma of 0.02
 S7-C99
 1.7 with sigma of 0.02
 F19-F21 = F21-F5
 2.1 with sigma of 0.02
 O35-O9
 2.4 with sigma of 0.02
 F5-F19
 2.1 with sigma of 0.02
 O35-O37 = O37-O9
 2.4 with sigma of 0.02
 O35-C99
 2.5 with sigma of 0.02
 O9-C99
 2.5 with sigma of 0.02
 O37-C99
 2.5 with sigma of 0.02
 S2-C191
 1.7 with sigma of 0.02
 C191-O3
 2.5 with sigma of 0.02
 C191-O27
 2.5 with sigma of 0.02
 O29-C191
 2.5 with sigma of 0.02
 F9-F15 = F17-F9
 2.1 with sigma of 0.02
 F15-F17
 2.1 with sigma of 0.02
 F9-C191 = F15-C191 = F17-C191
 1.31 with sigma of 0.02
 F13-F11
 2.1 with sigma of 0.02
 F13-F2 = F2-F11
 2.1 with sigma of 0.02
 S3-O17 = S3-O31 = S3-O33
 1.43 with sigma of 0.02
 F7-C3 = F23-C3 = F24-C3
 1.31 with sigma of 0.02
 O17-O33
 2.5 with sigma of 0.02
 F23-F24
 2.1 with sigma of 0.02
 F23-F7 = F7-F24
 2.1 with sigma of 0.02
 O17-O31 = O31-O33
 2.5 with sigma of 0.02
 S7-F5
 2.58 with sigma of 0.02
 O17-C3
 2.4 with sigma of 0.02
 O33-C3
 2.4 with sigma of 0.02
 F19-S7
 2.58 with sigma of 0.02
 F7-S3
 2.58 with sigma of 0.02
 F21-S7
 2.58 with sigma of 0.02
 O31-C3
 2.4 with sigma of 0.02
 F23-S3
 2.58 with sigma of 0.02
 F24-S3
 2.58 with sigma of 0.02
 S8-C199
 1.7 with sigma of 0.02
 S8-O38 = S8-O19 = S8-O13
 1.43 with sigma of 0.02
 F14-C199 = F18-C199 = F16-C199
 1.3 with sigma of 0.02
 S8-O13 = S8-O19 = S8-O38
 1.31 with sigma of 0.02
 S8-F14
 2.58 with sigma of 0.02
 O13-C199
 2.4 with sigma of 0.02
 O19-C199
 2.4 with sigma of 0.02
 S8-F16
 2.58 with sigma of 0.02
 O38-C199
 2.4 with sigma of 0.02
 F18-S8
 2.58 with sigma of 0.02
 C19-Rh3
 2.9 with sigma of 0.02
 C153-Rh3
 2.9 with sigma of 0.02
 O7-C19 = O25-C153 = O15-C155 = O39-C39
 1.3 with sigma of 0.02
 Rh3-O25 = Rh3-O7
 2 with sigma of 0.02
 S5-F13
 2.58 with sigma of 0.02
 S5-F2
 2.58 with sigma of 0.02
 S5-F11
 2.58 with sigma of 0.02
 O5-C197
 2.4 with sigma of 0.02
 O2-C197
 2.4 with sigma of 0.02
 O21-C197
 2.4 with sigma of 0.02
 F12-C25 = F8-C25 = F6-C25
 1.3 with sigma of 0.02
 S1-C25
 1.7 with sigma of 0.02
 S3-C3
 1.7 with sigma of 0.01
 C205-C181
 2.65 with sigma of 0.02
 C205-C183
 2.65 with sigma of 0.02
 C81-C57
 2.65 with sigma of 0.02
 C187-C29
 2.65 with sigma of 0.02
 C97-C115
 2.65 with sigma of 0.02
 C5-C117
 2.65 with sigma of 0.02
 C81-C29
 2.65 with sigma of 0.02
 C5-C57
 2.65 with sigma of 0.02
 C97-C59
 2.65 with sigma of 0.02
 C187-C59
 2.65 with sigma of 0.02
 C51-C17
 2.65 with sigma of 0.02
 C51-C69
 2.65 with sigma of 0.02
 O13-O38 = O38-O19
 2.4 with sigma of 0.02
 O19-O13
 2.4 with sigma of 0.02
 C204-C36
 2.65 with sigma of 0.02
 C204-C128
 2.65 with sigma of 0.02
 C204-C180 = C163-C128 = C121-C146 = C208-C148 = C55-C36
 1.53 with sigma of 0.02
 C207-C67
 2.65 with sigma of 0.02
 C207-C137
 2.65 with sigma of 0.02
 C207-C69
 1.53 with sigma of 0.02
 C38-C76 = C33-C78 = C72-C182 = C149-C70 = C143-C133 = C9-C47 = C79-C141 =
 C179-C35 = C31-C52 = C53-C62 = C107-C64 = C132-C20 = C206-C194 = C156-C48 =
 C164-C40 = C159-C198
 1.53 with sigma of 0.02
 H13C-H47B
 2.1 with sigma of 0.02
 Rh7-O15
 1.95 with sigma of 0.02
 O15-C39
 2.3 with sigma of 0.02
 O39-C155
 2.3 with sigma of 0.02
 C67-Rh7
 2.1 with sigma of 0.02
 O39-O15
 2.6 with sigma of 0.02
 Rh7-C69
 2.1 with sigma of 0.02
 Rh7-O39 = Rh9-O39 = Rh7-O15 = Rh9-O15
 2 with sigma of 0.02
 Rh7-C135 = Rh7-C17 = Rh7-C137
 2.1 with sigma of 0.02
 Rh9-C135 = Rh9-C67 = Rh9-C69 = Rh9-C17 = Rh9-C137
 2 with sigma of 0.02
 C2-C165
 1.53 with sigma of 0.02
 Rh7-O39 \\sim Rh9-O39
 with sigma of 0.02
4. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
All non-hydrogen atoms restrained to be isotropic: with sigma of 0.01 and sigma
for terminal atoms of 0.02
6. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
7. Others
 Sof(Rh9)=1-FVAR(1)
 Sof(Rh7)=FVAR(1)
8.a Me refined with riding coordinates:
 C2(H2A,H2B,H2C), C95(H95A,H95B,H95C), C193(H19A,H19B,H19C), C195(H19D,H19E,
 H19F), C49(H49A,H49B,H49C), C203(H20A,H20B,H20C), C103(H10D,H10E,H10F)
8.b Aromatic/amide H refined with riding coordinates:
 C8(H8), C10(H10), C16(H16), C24(H24), C30(H30), C42(H42), C44(H44), C58(H58),
 C60(H60), C66(H66), C82(H82), C84(H84), C88(H88), C90(H90), C100(H100),
 C116(H116), C122(H122), C136(H136), C150(H150), C154(H154), C162(H162),
 C166(H166), C168(H168), C170(H170), C172(H172), C176(H176), C178(H178),
 C186(H186), C105(H105), C61(H61), C123(H123), C147(H147), C37(H37), C75(H75),
 C77(H77), C157(H157), C173(H173), C87(H87), C11(H11), C177(H177)
8.c Fitted pentagon refined as free rotating group:
 C57(C115,C29,C117,C59), C67(C135,C17,C137,C69), C41(C165,C83,C167,C21),
 C181(C91,C183,C23,C185)
8.d Fitted hexagon refined as free rotating group:
 C68(C70,C72,C74,C76,C78), N5(C82,C84,C86,C88,C90), N3(C170,C172,C174,C176,
 C178), C139(C35,C141,C71,C143,C9), C19(C153,C77,C155,C39,C157), N7(C173,C87,
 C175,C11,C177)
8.e Idealised Me refined as rotating group:
 C38(H38A,H38B,H38C), C130(H13D,H13E,H13F), C132(H13G,H13H,H13I), C138(H13J,
 H13K,H13L), C152(H15D,H15E,H15F), C156(H15G,H15H,H15I), C158(H15J,H15K,H15L),
 C160(H16A,H16B,H16C), C164(H16D,H16E,H16F), C182(H18A,H18B,H18C), C192(H19G,
 H19H,H19I), C202(H20J,H20K,H20L), C204(H20M,H20N,H20O), C206(H20P,H20Q,H20R),
 C208(H20S,H20T,H20U), C53(H53A,H53B,H53C), C107(H10G,H10H,H10I), C55(H55A,H55B,
 H55C), C113(H11A,H11B,H11C), C121(H12A,H12B,H12C), C31(H31A,H31B,H31C),
 C63(H63A,H63B,H63C), C129(H12D,H12E,H12F), C65(H65A,H65B,H65C), C33(H33A,H33B,
 H33C), C133(H13A,H13B,H13C), C73(H73A,H73B,H73C), C149(H14A,H14B,H14C),
 C151(H15A,H15B,H15C), C79(H79A,H79B,H79C), C159(H15M,H15N,H15O), C5(H5A,H5B,
 H5C), C161(H16G,H16H,H16I), C81(H81A,H81B,H81C), C163(H16J,H16K,H16L),
 C169(H16M,H16N,H16O), C85(H85A,H85B,H85C), C171(H17A,H17B,H17C), C43(H43A,H43B,
 H43C), C179(H17D,H17E,H17F), C93(H93A,H93B,H93C), C187(H18D,H18E,H18F),
 C47(H47A,H47B,H47C), C189(H18G,H18H,H18I), C97(H97A,H97B,H97C), C101(H10A,H10B,
 H10C), C51(H51A,H51B,H51C), C205(H20D,H20E,H20F), C207(H20G,H20H,H20I)
;
_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 1.06943(5) 0.24047(4) 0.17281(2) 0.0537(2) Uani 1 1 d . U . . .
Rh4 Rh 0.66286(6) -0.71715(5) 0.32129(2) 0.0551(2) Uani 1 1 d . U . . .
Rh6 Rh 0.58088(6) 0.37109(4) 0.16464(2) 0.0553(2) Uani 1 1 d . U . . .
Rh8 Rh 0.17392(6) -0.58677(5) 0.31413(3) 0.0581(2) Uani 1 1 d . U . . .
Rh2 Rh -0.11098(8) -0.28136(9) 0.05354(3) 0.0924(4) Uani 1 1 d . U . . .
Rh5 Rh 0.37245(9) -0.34735(10) 0.01251(4) 0.1000(5) Uani 1 1 d . U . . .
Rh3 Rh 0.39085(12) -0.0162(2) 0.50774(4) 0.1951(15) Uani 1 1 d D U . . .
Rh7 Rh 0.8779(3) -0.0312(6) 0.46398(13) 0.168(2) Uani 0.459(8) 1 d D U P A 1
S1 S 0.3077(3) -0.4494(2) 0.15860(13) 0.0879(11) Uani 1 1 d D U . . .
S4 S -0.0752(3) 0.1003(3) 0.32896(15) 0.1035(14) Uani 1 1 d D U . . .
S6 S 0.3847(3) 0.1770(3) 0.08665(13) 0.1084(14) Uani 1 1 d D U . . .
S8 S -0.1296(5) -0.4965(3) 0.1458(2) 0.153(2) Uani 1 1 d D U . . .
S2 S 0.8549(5) -0.5062(5) 0.39583(17) 0.150(2) Uani 1 1 d D U . . .
O1 O 0.5503(5) -0.7135(4) 0.2898(2) 0.0598(17) Uani 1 1 d . U . . .
S5 S 0.3894(6) 0.1461(5) 0.3535(2) 0.164(2) Uani 1 1 d D U . . .
O4 O 0.6711(5) 0.3224(5) 0.1366(2) 0.0637(19) Uani 1 1 d . U . . .
O6 O 0.9827(5) 0.2937(4) 0.20065(19) 0.0528(16) Uani 1 1 d . U . . .
O8 O 0.2616(5) -0.6380(5) 0.2854(2) 0.0641(19) Uani 1 1 d . U . . .
O10 O 0.9575(5) 0.2462(5) 0.1415(2) 0.0644(19) Uani 1 1 d . U . . .
O12 O 0.2849(5) -0.5957(5) 0.34586(19) 0.0591(18) Uani 1 1 d . U . . .
N1 N 0.2288(7) -0.4963(6) 0.2978(3) 0.066(2) Uani 1 1 d . U . . .
N4 N 0.5520(7) 0.2697(5) 0.1813(3) 0.060(2) Uani 1 1 d . U . . .
O14 O 0.2693(7) -0.4000(7) 0.0321(3) 0.094(3) Uani 1 1 d . U . . .
O16 O 0.6935(5) 0.3645(4) 0.1961(2) 0.0591(18) Uani 1 1 d . U . . .
F1 F 0.0787(7) 0.0614(7) 0.3524(4) 0.127(4) Uani 1 1 d D U . . .
O18 O 0.5732(6) -0.6688(5) 0.3501(2) 0.0649(19) Uani 1 1 d . U . . .
N6 N 0.6884(7) -0.6178(5) 0.3043(3) 0.061(2) Uani 1 1 d . U . . .
F4 F 0.0352(7) 0.0148(6) 0.3077(3) 0.108(3) Uani 1 1 d D U . . .
C1 C 0.7452(7) 0.3098(6) 0.1509(3) 0.054(2) Uani 1 1 d . U . . .
N8 N 1.0123(7) 0.1485(5) 0.1899(3) 0.060(2) Uani 1 1 d . U . . .
F6 F 0.1872(8) -0.3595(7) 0.1715(3) 0.122(3) Uani 1 1 d D U . . .
C4 C 0.7452(10) -0.4920(7) 0.2823(4) 0.070(3) Uani 1 1 d . U . . .
C6 C 0.4393(9) 0.0195(7) 0.2195(4) 0.072(3) Uani 1 1 d . U . . .
C8 C 0.8110(8) 0.2773(7) 0.1359(3) 0.062(2) Uani 1 1 d . U . . .
H8 H 0.801653 0.258299 0.114858 0.074 Uiso 1 1 calc R U . . .
C10 C 0.5365(9) 0.2202(7) 0.1611(3) 0.066(3) Uani 1 1 d . U . . .
H10 H 0.546583 0.228610 0.139135 0.079 Uiso 1 1 calc R U . . .
F8 F 0.2483(8) -0.3363(7) 0.1277(3) 0.134(4) Uani 1 1 d D U . . .
C12 C 1.2006(8) 0.2366(7) 0.1918(3) 0.065(2) Uani 1 1 d . U . . .
F10 F -0.0192(7) -0.0187(6) 0.3498(3) 0.107(3) Uani 1 1 d D U . . .
C14 C 0.8178(8) -0.2951(6) 0.2553(4) 0.064(2) Uani 1 1 d . U . . .
O20 O -0.0150(8) -0.3598(6) 0.0539(3) 0.094(3) Uani 1 1 d . U . . .
C16 C 0.2363(9) -0.4862(7) 0.2650(4) 0.072(3) Uani 1 1 d . U . . .
H16 H 0.218734 -0.521110 0.249729 0.086 Uiso 1 1 calc R U . . .
C18 C 1.1532(9) 0.3111(8) 0.1508(4) 0.071(3) Uani 1 1 d . U . . .
O22 O 0.3702(8) -0.4078(5) 0.1756(3) 0.098(3) Uani 1 1 d . U . . .
C20 C 0.8258(9) -0.2100(7) 0.2146(3) 0.070(3) Uani 1 1 d D U . . .
C22 C 0.7586(7) 0.3374(6) 0.1848(3) 0.054(2) Uani 1 1 d . U . . .
C24 C 0.4330(8) -0.6307(7) 0.3504(3) 0.064(2) Uani 1 1 d . U . . .
H24 H 0.442260 -0.616380 0.372277 0.077 Uiso 1 1 calc R U . . .
C26 C 0.9038(7) 0.2985(6) 0.1872(3) 0.054(2) Uani 1 1 d . U . . .
C28 C 0.8922(8) 0.2735(6) 0.1531(3) 0.056(2) Uani 1 1 d . U . . .
C30 C 0.7298(10) -0.5013(8) 0.3152(4) 0.073(3) Uani 1 1 d . U . . .
H30 H 0.740105 -0.464181 0.330053 0.088 Uiso 1 1 calc R U . . .
C32 C 1.1771(7) 0.3058(7) 0.1828(3) 0.059(2) Uani 1 1 d . U . . .
C34 C 0.8641(9) -0.1667(7) 0.2386(4) 0.069(2) Uani 1 1 d . U . . .
O24 O 0.2778(8) -0.2708(7) 0.0120(3) 0.109(3) Uani 1 1 d . U . . .
C36 C 0.0514(9) -0.5462(7) 0.3237(4) 0.076(3) Uani 1 1 d D U . . .
C38 C 0.6085(12) -0.0853(10) 0.1823(4) 0.096(4) Uani 1 1 d D U . . .
H38A H 0.584126 -0.111362 0.163568 0.144 Uiso 1 1 calc R U . . .
H38B H 0.667404 -0.070644 0.178694 0.144 Uiso 1 1 calc R U . . .
H38C H 0.572885 -0.044112 0.185562 0.144 Uiso 1 1 calc R U . . .
C40 C 0.3544(8) -0.1598(7) 0.2151(4) 0.069(3) Uani 1 1 d D U . . .
C42 C 0.5096(8) 0.1993(6) 0.2230(3) 0.061(2) Uani 1 1 d . U . . .
H42 H 0.496719 0.195505 0.244922 0.073 Uiso 1 1 calc R U . . .
C44 C 0.8373(7) 0.3278(6) 0.2015(3) 0.053(2) Uani 1 1 d . U . . .
H44 H 0.845118 0.341835 0.223473 0.063 Uiso 1 1 calc R U . . .
C46 C 0.4157(8) -0.0467(7) 0.2287(4) 0.067(2) Uani 1 1 d . U . . .
C48 C 0.4288(9) -0.0663(6) 0.2612(4) 0.069(3) Uani 1 1 d D U . . .
C50 C 0.7730(9) -0.4214(6) 0.2724(3) 0.065(3) Uani 1 1 d . U . . .
C52 C 0.8497(9) -0.2520(7) 0.2786(3) 0.068(3) Uani 1 1 d D U . . .
C54 C 0.3361(8) -0.6452(6) 0.2993(3) 0.057(2) Uani 1 1 d . U . . .
C56 C 0.4600(10) 0.0754(7) 0.2098(4) 0.074(3) Uani 1 1 d . U . . .
C58 C 0.5404(8) 0.2566(6) 0.2130(3) 0.061(2) Uani 1 1 d . U . . .
H58 H 0.555896 0.291709 0.228447 0.073 Uiso 1 1 calc R U . . .
C60 C 0.7026(9) -0.6063(7) 0.2736(3) 0.064(3) Uani 1 1 d . U . . .
H60 H 0.694832 -0.644024 0.258865 0.076 Uiso 1 1 calc R U . . .
C62 C 0.8763(9) -0.1841(6) 0.2702(4) 0.069(3) Uani 1 1 d D U . . .
C64 C 0.8029(9) -0.2769(6) 0.2232(3) 0.068(3) Uani 1 1 d D U . . .
C66 C 0.4051(8) -0.6767(6) 0.2839(3) 0.059(2) Uani 1 1 d . U . . .
H66 H 0.396964 -0.692206 0.262171 0.070 Uiso 1 1 calc R U . . .
N2 N 0.4151(10) -0.3137(9) 0.0598(4) 0.102(3) Uani 1 1 d . U . . .
C68 C 0.6413(7) -0.1542(6) 0.26832(19) 0.092(3) Uani 1 1 d G U . . .
C70 C 0.6084(7) -0.2211(5) 0.2639(2) 0.090(3) Uani 1 1 d DG U . . .
C72 C 0.5764(7) -0.2428(4) 0.2334(3) 0.094(3) Uani 1 1 d DG U . . .
C74 C 0.5773(7) -0.1975(6) 0.2074(2) 0.091(3) Uani 1 1 d G U . . .
C76 C 0.6101(7) -0.1307(5) 0.2118(2) 0.087(3) Uani 1 1 d DG U . . .
C78 C 0.6421(7) -0.1090(4) 0.2423(3) 0.086(3) Uani 1 1 d DG U . . .
C80 C 0.4961(8) -0.6593(7) 0.3355(3) 0.060(2) Uani 1 1 d . U . . .
N5 N -0.0523(7) -0.2548(6) 0.0982(2) 0.097(3) Uani 1 1 d G U . . .
C82 C -0.0387(7) -0.3033(5) 0.1228(3) 0.095(3) Uani 1 1 d G U . . .
H82 H -0.056036 -0.350305 0.119327 0.114 Uiso 1 1 calc R U . . .
C84 C 0.0003(7) -0.2832(6) 0.1525(2) 0.092(3) Uani 1 1 d G U . . .
H84 H 0.009627 -0.316401 0.169357 0.111 Uiso 1 1 calc R U . . .
C86 C 0.0257(7) -0.2145(7) 0.1576(2) 0.103(3) Uani 1 1 d G U . . .
C88 C 0.0121(8) -0.1659(5) 0.1330(3) 0.105(4) Uani 1 1 d G U . . .
H88 H 0.029422 -0.118957 0.136480 0.126 Uiso 1 1 calc R U . . .
C90 C -0.0269(8) -0.1861(5) 0.1033(3) 0.105(4) Uani 1 1 d G U . . .
H90 H -0.036242 -0.152859 0.086450 0.126 Uiso 1 1 calc R U . . .
S3 S 0.2406(11) -0.3475(8) 0.4099(4) 0.250(5) Uani 1 1 d D U . . .
O26 O 0.2663(9) -0.5011(7) 0.1765(4) 0.112(4) Uani 1 1 d . U . . .
F12 F 0.1579(8) -0.4172(7) 0.1297(3) 0.134(4) Uani 1 1 d D U . . .
O28 O 0.3513(10) 0.2060(9) 0.1151(4) 0.126(4) Uani 1 1 d . U . . .
C92 C 0.5573(9) 0.4814(7) 0.1665(4) 0.071(3) Uani 1 1 d . U . . .
C94 C 0.6872(9) -0.8301(7) 0.3197(4) 0.073(3) Uani 1 1 d . U . . .
C96 C 1.1594(9) 0.2426(9) 0.1371(4) 0.076(3) Uani 1 1 d . U . . .
C98 C 0.4868(12) -0.2623(11) 0.1199(4) 0.096(3) Uani 1 1 d . U . . .
C100 C 0.2716(10) -0.4212(8) 0.2550(4) 0.078(3) Uani 1 1 d . U . . .
H100 H 0.281382 -0.415044 0.232847 0.093 Uiso 1 1 calc R U . . .
C102 C 0.6993(10) -0.8032(8) 0.3519(4) 0.079(3) Uani 1 1 d . U . . .
C104 C 0.4486(8) 0.3999(8) 0.1587(4) 0.072(3) Uani 1 1 d . U . . .
C106 C 0.9437(9) 0.0236(6) 0.2087(4) 0.066(2) Uani 1 1 d . U . . .
C108 C 0.4842(8) -0.6843(7) 0.3011(3) 0.059(2) Uani 1 1 d . U . . .
C110 C 0.3658(9) -0.1792(7) 0.2470(4) 0.069(2) Uani 1 1 d . U . . .
C112 C 0.4924(9) 0.4404(7) 0.1825(4) 0.071(3) Uani 1 1 d . U . . .
C114 C 0.0539(11) -0.3423(9) 0.0446(4) 0.086(3) Uani 1 1 d . U . . .
C116 C 0.5061(9) 0.1551(7) 0.1690(3) 0.068(3) Uani 1 1 d . U . . .
H116 H 0.493533 0.120928 0.152845 0.082 Uiso 1 1 calc R U . . .
C118 C 0.3513(8) -0.6215(6) 0.3335(3) 0.057(2) Uani 1 1 d . U . . .
C120 C 0.4888(9) 0.4084(8) 0.1289(3) 0.073(3) Uani 1 1 d . U . . .
C122 C 0.9899(9) 0.0948(7) 0.1665(4) 0.069(3) Uani 1 1 d . U . . .
H122 H 0.996065 0.101703 0.144132 0.083 Uiso 1 1 calc R U . . .
O30 O -0.1421(9) 0.0631(8) 0.3097(4) 0.116(4) Uani 1 1 d . U . . .
C124 C 0.4940(9) 0.1406(7) 0.2018(3) 0.065(2) Uani 1 1 d . U . . .
C126 C 0.5553(9) 0.4627(7) 0.1355(4) 0.071(2) Uani 1 1 d . U . . .
C128 C 0.0880(9) -0.6533(7) 0.3371(3) 0.074(3) Uani 1 1 d D U . . .
C130 C 0.6512(13) -0.8252(11) 0.3809(5) 0.104(5) Uani 1 1 d . U . . .
H13D H 0.641953 -0.784481 0.394396 0.156 Uiso 1 1 calc R U . . .
H13E H 0.685427 -0.859872 0.393510 0.156 Uiso 1 1 calc R U . . .
H13F H 0.595309 -0.845382 0.373429 0.156 Uiso 1 1 calc R U . . .
O32 O -0.0938(11) 0.1193(9) 0.3602(5) 0.142(5) Uani 1 1 d . U . . .
C132 C 0.8079(11) -0.1901(8) 0.1782(3) 0.080(4) Uani 1 1 d D U . . .
H13G H 0.816664 -0.140056 0.175477 0.120 Uiso 1 1 calc R U . . .
H13H H 0.748205 -0.202149 0.170985 0.120 Uiso 1 1 calc R U . . .
H13I H 0.847497 -0.215816 0.165246 0.120 Uiso 1 1 calc R U . . .
C134 C 0.9113(9) -0.0429(7) 0.2184(4) 0.072(3) Uani 1 1 d . U . . .
C136 C 0.2515(11) -0.4458(8) 0.3184(4) 0.081(3) Uani 1 1 d . U . . .
H136 H 0.244792 -0.453515 0.340607 0.097 Uiso 1 1 calc R U . . .
C138 C 0.3741(9) 0.3514(9) 0.1640(5) 0.090(4) Uani 1 1 d . U . . .
H13J H 0.376662 0.310971 0.149667 0.135 Uiso 1 1 calc R U . . .
H13K H 0.319398 0.375975 0.159168 0.135 Uiso 1 1 calc R U . . .
H13L H 0.378021 0.335726 0.186454 0.135 Uiso 1 1 calc R U . . .
C140 C 1.1904(8) 0.1945(7) 0.1622(3) 0.067(2) Uani 1 1 d . U . . .
C142 C 0.5219(12) -0.2461(10) 0.1497(5) 0.098(4) Uani 1 1 d . U . . .
C144 C 0.2039(11) -0.3583(10) 0.0346(4) 0.088(3) Uani 1 1 d . U . . .
O34 O 0.3302(9) -0.4753(8) 0.1303(4) 0.114(4) Uani 1 1 d . U . . .
C146 C 0.0651(9) -0.6530(7) 0.3022(4) 0.073(3) Uani 1 1 d D U . . .
C148 C 0.0425(9) -0.5842(8) 0.2941(3) 0.074(3) Uani 1 1 d D U . . .
C150 C 0.9601(9) 0.0351(7) 0.1777(4) 0.070(3) Uani 1 1 d . U . . .
H150 H 0.949634 -0.002001 0.162760 0.084 Uiso 1 1 calc R U . . .
C152 C 1.2141(11) 0.1203(8) 0.1606(5) 0.085(4) Uani 1 1 d . U . . .
H15D H 1.240051 0.105283 0.181668 0.128 Uiso 1 1 calc R U . . .
H15E H 1.255727 0.113877 0.144265 0.128 Uiso 1 1 calc R U . . .
H15F H 1.162346 0.092582 0.154837 0.128 Uiso 1 1 calc R U . . .
C154 C 0.2871(11) -0.3772(8) 0.3085(4) 0.080(3) Uani 1 1 d . U . . .
H154 H 0.305357 -0.342166 0.323595 0.096 Uiso 1 1 calc R U . . .
C156 C 0.4640(10) -0.0163(7) 0.2861(4) 0.079(4) Uani 1 1 d D U . . .
H15G H 0.489131 0.023631 0.275542 0.118 Uiso 1 1 calc R U . . .
H15H H 0.508593 -0.039311 0.300217 0.118 Uiso 1 1 calc R U . . .
H15I H 0.417363 -0.000372 0.298903 0.118 Uiso 1 1 calc R U . . .
C158 C 0.7621(14) -0.8051(9) 0.2674(4) 0.099(5) Uani 1 1 d . U . . .
H15J H 0.708684 -0.795895 0.253973 0.149 Uiso 1 1 calc R U . . .
H15K H 0.778178 -0.854088 0.265241 0.149 Uiso 1 1 calc R U . . .
H15L H 0.808357 -0.775456 0.260271 0.149 Uiso 1 1 calc R U . . .
O36 O -0.0068(8) -0.2297(7) 0.0356(3) 0.105(3) Uani 1 1 d . U . . .
O38 O -0.1660(12) -0.4305(7) 0.1404(5) 0.162(6) Uani 1 1 d D U . . .
O40 O 0.4735(8) 0.1646(8) 0.0888(3) 0.113(4) Uani 1 1 d . U . . .
C160 C 1.1813(9) 0.3656(7) 0.2079(3) 0.070(3) Uani 1 1 d . U . . .
H16A H 1.129116 0.394214 0.204808 0.104 Uiso 1 1 calc R U . . .
H16B H 1.232170 0.394528 0.205136 0.104 Uiso 1 1 calc R U . . .
H16C H 1.185246 0.345955 0.229745 0.104 Uiso 1 1 calc R U . . .
O5 O 0.4530(12) 0.1918(8) 0.3419(5) 0.160(6) Uani 1 1 d D U . . .
C162 C 0.7014(9) -0.5613(7) 0.3250(4) 0.070(3) Uani 1 1 d . U . . .
H162 H 0.689307 -0.566397 0.346924 0.084 Uiso 1 1 calc R U . . .
C164 C 0.3135(10) -0.2112(8) 0.1904(4) 0.086(4) Uani 1 1 d D U . . .
H16D H 0.283972 -0.247979 0.201620 0.129 Uiso 1 1 calc R U . . .
H16E H 0.358536 -0.231817 0.178132 0.129 Uiso 1 1 calc R U . . .
H16F H 0.271746 -0.186684 0.175629 0.129 Uiso 1 1 calc R U . . .
C166 C 0.1265(11) -0.3890(10) 0.0465(4) 0.091(3) Uani 1 1 d . U . . .
H166 H 0.124217 -0.435103 0.054712 0.110 Uiso 1 1 calc R U . . .
C168 C 0.7279(8) -0.5434(7) 0.2617(4) 0.065(3) Uani 1 1 d . U . . .
H168 H 0.732864 -0.537065 0.239280 0.079 Uiso 1 1 calc R U . . .
N3 N 0.8155(9) -0.0917(9) 0.4188(3) 0.135(4) Uani 1 1 d G U . . .
C170 C 0.8101(10) -0.0365(7) 0.3971(4) 0.130(4) Uani 1 1 d G U . A .
H170 H 0.830899 0.008125 0.403667 0.156 Uiso 1 1 calc R U . . .
C172 C 0.7741(10) -0.0468(8) 0.3659(3) 0.120(4) Uani 1 1 d G U . A .
H172 H 0.770384 -0.009088 0.351032 0.144 Uiso 1 1 calc R U . . .
C174 C 0.7436(10) -0.1121(9) 0.3563(3) 0.119(4) Uani 1 1 d G U . A .
C176 C 0.7491(11) -0.1672(7) 0.3780(4) 0.133(5) Uani 1 1 d G U . A .
H176 H 0.728293 -0.211906 0.371448 0.159 Uiso 1 1 calc R U . . .
C178 C 0.7851(11) -0.1570(8) 0.4093(3) 0.133(5) Uani 1 1 d G U . A .
H178 H 0.788807 -0.194694 0.424084 0.160 Uiso 1 1 calc R U . . .
C180 C 0.0800(10) -0.5861(9) 0.3496(3) 0.078(3) Uani 1 1 d D U . . .
C182 C 0.5362(14) -0.3151(10) 0.2287(6) 0.114(5) Uani 1 1 d D U . . .
H18A H 0.578688 -0.350542 0.235944 0.171 Uiso 1 1 calc R U . . .
H18B H 0.518668 -0.322231 0.205812 0.171 Uiso 1 1 calc R U . . .
H18C H 0.485633 -0.318807 0.241329 0.171 Uiso 1 1 calc R U . . .
C184 C 0.5489(12) -0.2219(11) 0.1761(5) 0.100(4) Uani 1 1 d . U . . .
C186 C 0.9673(10) 0.0770(7) 0.2315(4) 0.069(3) Uani 1 1 d . U . . .
H186 H 0.961956 0.070591 0.253898 0.083 Uiso 1 1 calc R U . . .
C188 C 0.0085(10) 0.0385(9) 0.3357(4) 0.102(3) Uani 1 1 d D U . . .
C190 C 0.8869(8) -0.0993(7) 0.2270(4) 0.066(3) Uani 1 1 d . U . . .
C192 C 0.6321(12) -0.8836(8) 0.3053(5) 0.093(4) Uani 1 1 d . U . . .
H19G H 0.602159 -0.907197 0.322121 0.140 Uiso 1 1 calc R U . . .
H19H H 0.666976 -0.917382 0.294329 0.140 Uiso 1 1 calc R U . . .
H19I H 0.589505 -0.862600 0.289606 0.140 Uiso 1 1 calc R U . . .
C194 C 0.4057(9) -0.1320(7) 0.2715(3) 0.069(3) Uani 1 1 d D U . . .
C196 C 0.2911(10) -0.3692(8) 0.2755(4) 0.079(3) Uani 1 1 d . U . . .
C198 C 0.3776(8) -0.0962(7) 0.2048(3) 0.065(2) Uani 1 1 d D U . . .
C200 C 0.7633(10) -0.7516(8) 0.3542(4) 0.079(3) Uani 1 1 d . U . . .
C202 C 1.1290(11) 0.3785(9) 0.1337(4) 0.091(4) Uani 1 1 d . U . . .
H20J H 1.072869 0.373183 0.121545 0.137 Uiso 1 1 calc R U . . .
H20K H 1.172866 0.390356 0.118882 0.137 Uiso 1 1 calc R U . . .
H20L H 1.125399 0.415796 0.149660 0.137 Uiso 1 1 calc R U . . .
C204 C 0.1078(12) -0.5650(9) 0.3854(3) 0.093(4) Uani 1 1 d D U . . .
H20M H 0.170602 -0.568767 0.389165 0.140 Uiso 1 1 calc R U . . .
H20N H 0.080042 -0.596198 0.400122 0.140 Uiso 1 1 calc R U . . .
H20O H 0.089951 -0.516978 0.389139 0.140 Uiso 1 1 calc R U . . .
C206 C 0.4201(11) -0.1564(8) 0.3050(4) 0.084(4) Uani 1 1 d D U . . .
H20P H 0.380285 -0.132485 0.318506 0.126 Uiso 1 1 calc R U . . .
H20Q H 0.479729 -0.146266 0.313062 0.126 Uiso 1 1 calc R U . . .
H20R H 0.410075 -0.206671 0.305838 0.126 Uiso 1 1 calc R U . . .
C208 C 0.0105(10) -0.5622(10) 0.2615(4) 0.092(4) Uani 1 1 d D U . . .
H20S H 0.032805 -0.515735 0.257043 0.139 Uiso 1 1 calc R U . . .
H20T H -0.052765 -0.560922 0.259970 0.139 Uiso 1 1 calc R U . . .
H20U H 0.030014 -0.595258 0.245605 0.139 Uiso 1 1 calc R U . . .
C13 C 0.0642(12) -0.1950(11) 0.1885(5) 0.103(4) Uani 1 1 d . U . . .
C105 C 0.4557(11) -0.3317(10) 0.1149(4) 0.093(3) Uani 1 1 d . U . . .
H105 H 0.457952 -0.363026 0.132559 0.111 Uiso 1 1 calc R U . . .
C53 C 0.9103(10) -0.1273(7) 0.2935(4) 0.079(4) Uani 1 1 d D U . . .
H53A H 0.968329 -0.113523 0.288259 0.119 Uiso 1 1 calc R U . . .
H53B H 0.912593 -0.145116 0.315636 0.119 Uiso 1 1 calc R U . . .
H53C H 0.871772 -0.086946 0.291542 0.119 Uiso 1 1 calc R U . . .
C107 C 0.7606(9) -0.3258(7) 0.1977(3) 0.069(3) Uani 1 1 d D U . . .
H10G H 0.729542 -0.362608 0.208382 0.104 Uiso 1 1 calc R U . . .
H10H H 0.805155 -0.346774 0.185309 0.104 Uiso 1 1 calc R U . . .
H10I H 0.720050 -0.299605 0.183201 0.104 Uiso 1 1 calc R U . . .
C27 C 0.3414(9) -0.2468(8) 0.2572(4) 0.074(3) Uani 1 1 d . U . . .
C109 C 0.7484(9) -0.7898(7) 0.3015(4) 0.072(2) Uani 1 1 d . U . . .
C55 C 0.0347(11) -0.4674(8) 0.3270(5) 0.096(4) Uani 1 1 d D U . . .
H55A H 0.067153 -0.449674 0.346362 0.144 Uiso 1 1 calc R U . . .
H55B H -0.027119 -0.459345 0.328663 0.144 Uiso 1 1 calc R U . . .
H55C H 0.053310 -0.443107 0.307951 0.144 Uiso 1 1 calc R U . . .
C111 C 0.0630(11) -0.2642(10) 0.0351(4) 0.088(3) Uani 1 1 d . U . . .
C7 C 0.7951(9) -0.3661(7) 0.2647(4) 0.067(3) Uani 1 1 d . U . . .
O21 O 0.4034(13) 0.0768(8) 0.3498(5) 0.160(6) Uani 1 1 d D U . . .
C113 C 1.2395(10) 0.2093(9) 0.2242(4) 0.085(4) Uani 1 1 d . U . . .
H11A H 1.217584 0.236800 0.241683 0.127 Uiso 1 1 calc R U . . .
H11B H 1.302477 0.213199 0.225032 0.127 Uiso 1 1 calc R U . . .
H11C H 1.223246 0.160432 0.226648 0.127 Uiso 1 1 calc R U . . .
C57 C -0.2230(11) -0.3514(6) 0.0468(3) 0.123(4) Uani 1 1 d DG U . . .
C115 C -0.2420(10) -0.2906(7) 0.0644(3) 0.121(4) Uani 1 1 d DG U . . .
C29 C -0.2300(11) -0.2321(6) 0.0443(3) 0.129(4) Uani 1 1 d DG U . . .
C117 C -0.2035(11) -0.2568(7) 0.0144(3) 0.127(4) Uani 1 1 d DG U . . .
C59 C -0.1991(11) -0.3305(7) 0.0160(3) 0.126(4) Uani 1 1 d DG U . . .
C119 C 0.6752(12) -0.1356(12) 0.3000(5) 0.100(4) Uani 1 1 d . U . . .
C15 C 0.3206(10) -0.3035(8) 0.2654(4) 0.077(3) Uani 1 1 d . U . . .
O11 O -0.0332(11) 0.1504(9) 0.3109(5) 0.146(5) Uani 1 1 d . U . . .
C121 C 0.0704(10) -0.7175(9) 0.2809(4) 0.091(4) Uani 1 1 d D U . . .
H12A H 0.030182 -0.712485 0.261710 0.136 Uiso 1 1 calc R U . . .
H12B H 0.055152 -0.758856 0.292993 0.136 Uiso 1 1 calc R U . . .
H12C H 0.129322 -0.722392 0.274240 0.136 Uiso 1 1 calc R U . . .
C61 C 0.4816(15) -0.2229(13) 0.0934(5) 0.117(4) Uani 1 1 d . U . . .
H61 H 0.503121 -0.176690 0.094703 0.141 Uiso 1 1 calc R U . . .
F14 F -0.1489(14) -0.5063(10) 0.2023(5) 0.198(6) Uani 1 1 d D U . . .
F16 F -0.0224(11) -0.5464(10) 0.1857(5) 0.190(6) Uani 1 1 d D U . . .
C123 C 0.9976(9) 0.1371(7) 0.2198(3) 0.064(3) Uani 1 1 d . U . . .
H123 H 1.009156 0.174033 0.234644 0.077 Uiso 1 1 calc R U . . .
C31 C 0.8661(13) -0.2731(9) 0.3139(4) 0.092(4) Uani 1 1 d D U . . .
H31A H 0.849136 -0.321713 0.316585 0.138 Uiso 1 1 calc R U . . .
H31B H 0.832207 -0.243256 0.327352 0.138 Uiso 1 1 calc R U . . .
H31C H 0.927629 -0.267742 0.320589 0.138 Uiso 1 1 calc R U . . .
O23 O 0.3551(11) 0.2272(10) 0.0599(4) 0.135(4) Uani 1 1 d . U . . .
C125 C 0.7039(13) -0.1245(13) 0.3250(5) 0.110(4) Uani 1 1 d . U . . .
C63 C 1.1394(11) 0.2209(11) 0.1028(4) 0.095(4) Uani 1 1 d . U . . .
H63A H 1.112773 0.174700 0.102166 0.143 Uiso 1 1 calc R U . . .
H63B H 1.192872 0.219487 0.091676 0.143 Uiso 1 1 calc R U . . .
H63C H 1.099482 0.254488 0.091968 0.143 Uiso 1 1 calc R U . . .
O3 O 0.8923(11) -0.5373(10) 0.3691(4) 0.146(5) Uani 1 1 d D U . . .
C127 C 0.2074(11) -0.2892(10) 0.0230(4) 0.091(3) Uani 1 1 d . U . . .
C2 C 0.3150(18) -0.3360(16) -0.0655(6) 0.154(8) Uani 1 1 d D U . . .
H2A H 0.319941 -0.286059 -0.069741 0.231 Uiso 1 1 calc R U . . .
H2B H 0.327939 -0.362206 -0.084801 0.231 Uiso 1 1 calc R U . . .
H2C H 0.256203 -0.346699 -0.060050 0.231 Uiso 1 1 calc R U . . .
C129 C 0.4682(13) 0.4497(12) 0.2160(4) 0.104(5) Uani 1 1 d . U . . .
H12D H 0.424776 0.414894 0.220671 0.155 Uiso 1 1 calc R U . . .
H12E H 0.444423 0.496413 0.218422 0.155 Uiso 1 1 calc R U . . .
H12F H 0.519428 0.443816 0.230950 0.155 Uiso 1 1 calc R U . . .
C65 C 0.6156(12) 0.5314(9) 0.1819(5) 0.100(5) Uani 1 1 d . U . . .
H65A H 0.626723 0.519385 0.204734 0.150 Uiso 1 1 calc R U . . .
H65B H 0.589786 0.577893 0.180028 0.150 Uiso 1 1 calc R U . . .
H65C H 0.670096 0.531080 0.171428 0.150 Uiso 1 1 calc R U . . .
C131 C 0.0875(13) -0.1830(12) 0.2152(5) 0.109(4) Uani 1 1 d . U . . .
O25 O 0.4827(10) -0.0939(11) 0.5033(4) 0.161(4) Uani 1 1 d D U . . .
C33 C 0.6795(11) -0.0364(9) 0.2459(5) 0.093(4) Uani 1 1 d D U . . .
H33A H 0.633763 -0.002047 0.241148 0.140 Uiso 1 1 calc R U . . .
H33B H 0.724660 -0.030319 0.230904 0.140 Uiso 1 1 calc R U . . .
H33C H 0.704363 -0.029913 0.268082 0.140 Uiso 1 1 calc R U . . .
C133 C 0.0753(15) -0.2876(11) 0.2652(7) 0.136(6) Uani 1 1 d D U . . .
H13A H 0.058259 -0.291669 0.242100 0.204 Uiso 1 1 calc R U . . .
H13B H 0.024494 -0.294048 0.277522 0.204 Uiso 1 1 calc R U . . .
H13C H 0.118354 -0.323283 0.271459 0.204 Uiso 1 1 calc DR U . . .
C67 C 0.9703(11) -0.1354(7) 0.4811(4) 0.168(4) Uani 1 1 d DG U . . .
C135 C 0.9616(11) -0.0815(9) 0.5040(3) 0.172(4) Uani 1 1 d DG U . A .
C17 C 0.9792(11) -0.0172(8) 0.4890(4) 0.173(4) Uani 1 1 d DG U . A .
C137 C 0.9987(9) -0.0314(9) 0.4568(4) 0.167(4) Uani 1 1 d DG U . A .
C69 C 0.9932(10) -0.1045(9) 0.4519(3) 0.165(4) Uani 1 1 d DG U . A .
C139 C 0.1801(9) -0.1314(8) 0.3095(3) 0.117(4) Uani 1 1 d G U . . .
C35 C 0.1860(8) -0.0844(6) 0.2844(4) 0.116(4) Uani 1 1 d DG U . . .
C141 C 0.1559(9) -0.1027(7) 0.2532(3) 0.117(4) Uani 1 1 d DG U . . .
C71 C 0.1199(9) -0.1681(8) 0.2471(3) 0.118(4) Uani 1 1 d G U . . .
C143 C 0.1140(8) -0.2151(6) 0.2723(4) 0.115(4) Uani 1 1 d DG U . . .
C9 C 0.1441(9) -0.1968(7) 0.3035(3) 0.119(4) Uani 1 1 d DG U . . .
C145 C 0.7978(9) -0.7465(7) 0.3247(4) 0.073(3) Uani 1 1 d . U . . .
O13 O -0.1773(12) -0.5550(7) 0.1424(6) 0.183(7) Uani 1 1 d D U . . .
C73 C 0.6086(11) 0.4846(11) 0.1093(4) 0.101(5) Uani 1 1 d . U . . .
H73A H 0.669425 0.474607 0.115553 0.152 Uiso 1 1 calc R U . . .
H73B H 0.601237 0.534616 0.105518 0.152 Uiso 1 1 calc R U . . .
H73C H 0.590518 0.459020 0.089588 0.152 Uiso 1 1 calc R U . . .
F18 F -0.0280(15) -0.4382(11) 0.1866(6) 0.219(7) Uani 1 1 d D U . . .
C147 C 0.4447(15) -0.2481(12) 0.0631(5) 0.115(4) Uani 1 1 d . U . . .
H147 H 0.440971 -0.217922 0.044981 0.138 Uiso 1 1 calc R U . . .
F20 F 0.3698(12) 0.0672(10) 0.0539(5) 0.171(5) Uani 1 1 d . U . . .
C37 C 0.4238(11) -0.3535(11) 0.0861(4) 0.092(3) Uani 1 1 d . U . . .
H37 H 0.405934 -0.400688 0.084136 0.110 Uiso 1 1 calc R U . . .
O27 O 0.7621(11) -0.5064(13) 0.3945(4) 0.171(6) Uani 1 1 d D U . . .
C149 C 0.6060(13) -0.2724(10) 0.2909(4) 0.104(5) Uani 1 1 d D U . . .
H14A H 0.628601 -0.250512 0.311110 0.156 Uiso 1 1 calc R U . . .
H14B H 0.641465 -0.312855 0.286407 0.156 Uiso 1 1 calc R U . . .
H14C H 0.546314 -0.287265 0.292929 0.156 Uiso 1 1 calc R U . . .
C75 C 0.1350(11) -0.2363(11) 0.0250(4) 0.094(3) Uani 1 1 d . U . . .
H75 H 0.140454 -0.188513 0.019547 0.113 Uiso 1 1 calc R U . . .
F22 F 0.2527(11) 0.0937(11) 0.0768(5) 0.182(6) Uani 1 1 d . U . . .
C151 C 0.5781(14) -0.3289(14) 0.0120(7) 0.129(6) Uani 1 1 d . U . . .
H15A H 0.579069 -0.277893 0.011339 0.193 Uiso 1 1 calc R U . . .
H15B H 0.626908 -0.347214 0.000977 0.193 Uiso 1 1 calc R U . . .
H15C H 0.582485 -0.344547 0.034469 0.193 Uiso 1 1 calc R U . . .
C19 C 0.5592(8) 0.0003(10) 0.4871(5) 0.156(4) Uani 1 1 d DG U . . .
C153 C 0.5564(8) -0.0700(11) 0.4948(5) 0.158(4) Uani 1 1 d DG U . . .
C77 C 0.6292(10) -0.1113(8) 0.4926(5) 0.163(5) Uani 1 1 d G U . . .
H77 H 0.627245 -0.159300 0.497921 0.195 Uiso 1 1 calc R U . . .
C155 C 0.7047(8) -0.0823(9) 0.4827(4) 0.157(4) Uani 1 1 d DG U . . .
C39 C 0.7075(8) -0.0120(9) 0.4749(4) 0.155(4) Uani 1 1 d DG U . . .
C157 C 0.6348(10) 0.0293(8) 0.4771(5) 0.160(5) Uani 1 1 d G U . . .
H157 H 0.636663 0.077291 0.471800 0.192 Uiso 1 1 calc R U . . .
C79 C 0.1628(15) -0.0466(14) 0.2264(5) 0.134(6) Uani 1 1 d D U . . .
H79A H 0.119056 -0.010588 0.228691 0.201 Uiso 1 1 calc R U . . .
H79B H 0.153477 -0.068480 0.205137 0.201 Uiso 1 1 calc R U . . .
H79C H 0.220369 -0.025434 0.228544 0.201 Uiso 1 1 calc R U . . .
C159 C 0.3664(11) -0.0708(8) 0.1694(4) 0.082(4) Uani 1 1 d D U . . .
H15M H 0.423073 -0.059801 0.161797 0.123 Uiso 1 1 calc R U . . .
H15N H 0.330101 -0.029036 0.168079 0.123 Uiso 1 1 calc R U . . .
H15O H 0.338941 -0.107444 0.155799 0.123 Uiso 1 1 calc R U . . .
F24 F 0.3639(16) -0.4002(15) 0.4486(6) 0.274(9) Uani 1 1 d D U . . .
C5 C -0.1711(18) -0.3781(14) -0.0117(5) 0.158(8) Uani 1 1 d D U . . .
H5A H -0.110680 -0.368633 -0.015429 0.236 Uiso 1 1 calc R U . . .
H5B H -0.207618 -0.368701 -0.031409 0.236 Uiso 1 1 calc R U . . .
H5C H -0.177239 -0.426991 -0.005516 0.236 Uiso 1 1 calc R U . . .
F3 F 0.3653(13) 0.0587(11) 0.1071(5) 0.185(6) Uani 1 1 d . U . . .
O7 O 0.4886(11) 0.0408(11) 0.4891(5) 0.170(4) Uani 1 1 d D U . . .
C161 C 0.4668(13) 0.3792(10) 0.0972(4) 0.102(5) Uani 1 1 d . U . . .
H16G H 0.517637 0.380242 0.084548 0.153 Uiso 1 1 calc R U . . .
H16H H 0.420334 0.406581 0.086115 0.153 Uiso 1 1 calc R U . . .
H16I H 0.447597 0.330947 0.099360 0.153 Uiso 1 1 calc R U . . .
C81 C -0.2684(16) -0.2950(15) 0.0994(4) 0.145(7) Uani 1 1 d D U . . .
H81A H -0.250163 -0.339886 0.108740 0.217 Uiso 1 1 calc R U . . .
H81B H -0.331229 -0.290575 0.099472 0.217 Uiso 1 1 calc R U . . .
H81C H -0.240585 -0.257262 0.112156 0.217 Uiso 1 1 calc R U . . .
O29 O 0.8864(17) -0.5375(13) 0.4240(5) 0.197(7) Uani 1 1 d D U . . .
O15 O 0.7816(9) -0.1120(8) 0.4803(4) 0.161(4) Uani 1 1 d D U . . .
C163 C 0.1160(15) -0.7114(10) 0.3603(5) 0.112(5) Uani 1 1 d D U . . .
H16J H 0.124577 -0.754242 0.348186 0.168 Uiso 1 1 calc R U . . .
H16K H 0.071194 -0.719048 0.375355 0.168 Uiso 1 1 calc R U . . .
H16L H 0.170096 -0.698437 0.372439 0.168 Uiso 1 1 calc R U . . .
F13 F 0.3044(14) 0.1417(11) 0.2979(4) 0.213(6) Uani 1 1 d D U . . .
C41 C 0.4435(10) -0.3126(6) -0.0256(4) 0.114(3) Uani 1 1 d G U . . .
C165 C 0.3753(9) -0.3552(8) -0.0390(3) 0.113(4) Uani 1 1 d DG U . . .
C83 C 0.3870(9) -0.4231(7) -0.0259(4) 0.111(3) Uani 1 1 d G U . . .
C167 C 0.4624(10) -0.4224(7) -0.0044(4) 0.114(3) Uani 1 1 d G U . . .
C21 C 0.4973(8) -0.3541(8) -0.0042(4) 0.112(3) Uani 1 1 d G U . . .
C169 C 0.8657(11) -0.6976(10) 0.3157(6) 0.102(5) Uani 1 1 d . U . . .
H16M H 0.841417 -0.650648 0.313388 0.154 Uiso 1 1 calc R U . . .
H16N H 0.887407 -0.712272 0.295271 0.154 Uiso 1 1 calc R U . . .
H16O H 0.913132 -0.697523 0.332639 0.154 Uiso 1 1 calc R U . . .
F7 F 0.315(2) -0.4657(14) 0.4107(7) 0.297(10) Uani 1 1 d D U . . .
C85 C 0.389(3) -0.136(2) 0.5656(9) 0.199(9) Uani 1 1 d . U . . .
H85A H 0.388857 -0.167825 0.547171 0.299 Uiso 1 1 calc R U . . .
H85B H 0.352565 -0.154720 0.581686 0.299 Uiso 1 1 calc R U . . .
H85C H 0.448332 -0.130653 0.575191 0.299 Uiso 1 1 calc R U . . .
O31 O 0.1747(18) -0.3855(16) 0.3906(7) 0.264(10) Uani 1 1 d D U . . .
C171 C 0.3248(17) -0.4874(13) -0.0304(6) 0.133(6) Uani 1 1 d . U . . .
H17A H 0.278386 -0.482944 -0.015773 0.200 Uiso 1 1 calc R U . . .
H17B H 0.357265 -0.530223 -0.025396 0.200 Uiso 1 1 calc R U . . .
H17C H 0.299893 -0.489026 -0.052719 0.200 Uiso 1 1 calc R U . . .
C43 C 0.7983(12) -0.7119(11) 0.3843(4) 0.100(5) Uani 1 1 d . U . . .
H43A H 0.824530 -0.668158 0.377855 0.149 Uiso 1 1 calc R U . . .
H43B H 0.841815 -0.740276 0.396465 0.149 Uiso 1 1 calc R U . . .
H43C H 0.750872 -0.701743 0.397872 0.149 Uiso 1 1 calc R U . . .
F15 F 0.9713(13) -0.4154(13) 0.4043(6) 0.229(7) Uani 1 1 d D U . . .
N7 N 0.3462(10) -0.0427(9) 0.4600(3) 0.144(4) Uani 1 1 d G U . . .
C173 C 0.3285(11) 0.0095(7) 0.4373(4) 0.135(5) Uani 1 1 d G U . . .
H173 H 0.341202 0.056595 0.442727 0.162 Uiso 1 1 calc R U . . .
C87 C 0.2924(11) -0.0072(8) 0.4067(3) 0.130(5) Uani 1 1 d G U . . .
H87 H 0.280308 0.028527 0.391186 0.156 Uiso 1 1 calc R U . . .
C175 C 0.2738(10) -0.0761(9) 0.3987(3) 0.126(4) Uani 1 1 d G U . . .
C11 C 0.2915(12) -0.1283(7) 0.4214(4) 0.139(5) Uani 1 1 d G U . . .
H11 H 0.278820 -0.175407 0.415940 0.166 Uiso 1 1 calc R U . . .
C177 C 0.3277(11) -0.1116(8) 0.4520(4) 0.139(5) Uani 1 1 d G U . . .
H177 H 0.339713 -0.147340 0.467482 0.166 Uiso 1 1 calc R U . . .
C89 C 0.2117(15) -0.1103(14) 0.3420(6) 0.123(4) Uani 1 1 d . U . . .
C179 C 0.2243(13) -0.0101(11) 0.2904(5) 0.120(5) Uani 1 1 d D U . . .
H17D H 0.234830 -0.002250 0.313627 0.181 Uiso 1 1 calc R U . . .
H17E H 0.183418 0.024665 0.281215 0.181 Uiso 1 1 calc R U . . .
H17F H 0.278807 -0.006176 0.280069 0.181 Uiso 1 1 calc R U . . .
F2 F 0.2801(11) 0.2263(8) 0.3234(5) 0.191(5) Uani 1 1 d D U . . .
C45 C 0.3471(17) 0.0973(12) 0.0798(7) 0.136(4) Uani 1 1 d D U . . .
C181 C 0.3402(14) 0.0450(11) 0.5395(6) 0.179(4) Uani 1 1 d DG U . . .
C91 C 0.3942(12) -0.0021(12) 0.5579(5) 0.178(5) Uani 1 1 d DG U . . .
C183 C 0.3567(16) -0.0694(11) 0.5548(6) 0.179(5) Uani 1 1 d DG U . . .
C23 C 0.2794(15) -0.0638(13) 0.5344(6) 0.175(5) Uani 1 1 d G U . . .
C185 C 0.2693(12) 0.0069(14) 0.5250(5) 0.172(5) Uani 1 1 d DG U . . .
C93 C 0.452(2) -0.2353(13) -0.0315(7) 0.139(7) Uani 1 1 d . U . . .
H93A H 0.395190 -0.213135 -0.030541 0.208 Uiso 1 1 calc R U . . .
H93B H 0.472871 -0.227623 -0.052845 0.208 Uiso 1 1 calc R U . . .
H93C H 0.492486 -0.215115 -0.014951 0.208 Uiso 1 1 calc R U . . .
C187 C -0.181(2) -0.2161(14) -0.0158(5) 0.167(8) Uani 1 1 d D U . . .
H18D H -0.204725 -0.168887 -0.015016 0.251 Uiso 1 1 calc R U . . .
H18E H -0.206257 -0.239844 -0.035192 0.251 Uiso 1 1 calc R U . . .
H18F H -0.118340 -0.213722 -0.016550 0.251 Uiso 1 1 calc R U . . .
O2 O 0.3610(19) 0.1679(15) 0.3855(6) 0.211(7) Uani 1 1 d D U . . .
C47 C 0.1295(19) -0.2529(14) 0.3291(6) 0.150(7) Uani 1 1 d D U . . .
H47A H 0.185382 -0.268098 0.339205 0.226 Uiso 1 1 calc R U . . .
H47B H 0.099516 -0.292835 0.318737 0.226 Uiso 1 1 calc DR U . . .
H47C H 0.094489 -0.233541 0.345557 0.226 Uiso 1 1 calc R U . . .
C189 C 0.198(2) 0.047(2) 0.5017(8) 0.171(8) Uani 1 1 d . U . . .
H18G H 0.187353 0.092966 0.510625 0.257 Uiso 1 1 calc R U . . .
H18H H 0.144209 0.019989 0.500207 0.257 Uiso 1 1 calc R U . . .
H18I H 0.219031 0.051790 0.480202 0.257 Uiso 1 1 calc R U . . .
F17 F 0.8540(16) -0.3770(14) 0.4196(6) 0.245(8) Uani 1 1 d D U . . .
C95 C 0.214(3) -0.118(2) 0.5252(10) 0.200(10) Uani 1 1 d . U . . .
H95A H 0.234043 -0.162846 0.534167 0.300 Uiso 1 1 calc R U . . .
H95B H 0.159284 -0.105491 0.533603 0.300 Uiso 1 1 calc R U . . .
H95C H 0.207091 -0.121303 0.501605 0.300 Uiso 1 1 calc R U . . .
F9 F 0.8764(17) -0.3787(15) 0.3720(5) 0.250(8) Uani 1 1 d D U . . .
C191 C 0.8862(16) -0.4211(9) 0.3972(7) 0.191(5) Uani 1 1 d D U . . .
S7 S -0.0373(10) 0.0197(6) 0.0784(3) 0.225(4) Uani 1 1 d D U . . .
O33 O 0.215(2) -0.3038(15) 0.4359(7) 0.277(10) Uani 1 1 d D U . . .
F19 F -0.0843(19) 0.1467(12) 0.0801(6) 0.272(9) Uani 1 1 d D U . . .
F5 F -0.0008(18) 0.1230(15) 0.0426(7) 0.295(9) Uani 1 1 d D U . . .
C3 C 0.2909(18) -0.4136(12) 0.4307(6) 0.263(7) Uani 1 1 d D U . . .
O17 O 0.3154(18) -0.3220(16) 0.3945(7) 0.275(10) Uani 1 1 d D U . . .
F21 F -0.1284(16) 0.0972(13) 0.0362(5) 0.247(8) Uani 1 1 d D U . . .
O35 O -0.034(2) -0.0266(15) 0.0495(6) 0.285(10) Uani 1 1 d D U . . .
C193 C -0.231(2) -0.1553(10) 0.0548(7) 0.174(8) Uani 1 1 d D U . . .
H19A H -0.251857 -0.151983 0.076445 0.262 Uiso 1 1 calc R U . . .
H19B H -0.172283 -0.136329 0.055213 0.262 Uiso 1 1 calc R U . . .
H19C H -0.269083 -0.128706 0.039569 0.262 Uiso 1 1 calc R U . . .
C97 C -0.2232(17) -0.4252(9) 0.0596(6) 0.140(7) Uani 1 1 d D U . . .
H97A H -0.195891 -0.456189 0.044666 0.210 Uiso 1 1 calc R U . . .
H97B H -0.282820 -0.440251 0.061680 0.210 Uiso 1 1 calc R U . . .
H97C H -0.191060 -0.427021 0.080810 0.210 Uiso 1 1 calc R U . . .
C195 C 0.918(2) -0.0945(18) 0.5360(5) 0.196(9) Uani 1 1 d D U . . .
H19D H 0.917912 -0.051248 0.548528 0.294 Uiso 1 1 calc R U . A .
H19E H 0.858045 -0.109781 0.530998 0.294 Uiso 1 1 calc R U . . .
H19F H 0.949533 -0.130495 0.548624 0.294 Uiso 1 1 calc R U . . .
C49 C 0.979(3) -0.2142(11) 0.4880(8) 0.212(9) Uani 1 1 d D U . . .
H49A H 0.983708 -0.239313 0.467763 0.318 Uiso 1 1 calc R U . . .
H49B H 1.030123 -0.222762 0.502581 0.318 Uiso 1 1 calc R U . . .
H49C H 0.927364 -0.230437 0.498192 0.318 Uiso 1 1 calc R U . . .
C197 C 0.3019(12) 0.1632(12) 0.3289(5) 0.177(5) Uani 1 1 d D U . . .
F11 F 0.2288(10) 0.1268(9) 0.3356(5) 0.202(6) Uani 1 1 d D U . . .
O9 O 0.0414(15) 0.0300(16) 0.0957(6) 0.241(9) Uani 1 1 d D U . . .
C99 C -0.0640(18) 0.0975(12) 0.0591(6) 0.241(6) Uani 1 1 d D U . . .
O37 O -0.1101(17) 0.0018(17) 0.0950(7) 0.270(9) Uani 1 1 d D U . . .
F23 F 0.2429(19) -0.4448(16) 0.4519(7) 0.302(10) Uani 1 1 d D U . . .
C199 C -0.0826(14) -0.4938(11) 0.1819(5) 0.170(5) Uani 1 1 d D U . . .
O19 O -0.0520(13) -0.4977(14) 0.1275(6) 0.218(7) Uani 1 1 d D U . . .
O39 O 0.7805(9) 0.0019(9) 0.4650(4) 0.167(4) Uani 1 1 d D U . . .
C25 C 0.2233(10) -0.3919(8) 0.1461(4) 0.097(3) Uani 1 1 d D U . . .
C201 C 0.2441(16) -0.0866(14) 0.3674(6) 0.127(5) Uani 1 1 d . U . . .
C101 C 0.5055(19) -0.4775(16) 0.0178(6) 0.146(7) Uani 1 1 d . U . . .
H10A H 0.496170 -0.466265 0.040233 0.219 Uiso 1 1 calc R U . . .
H10B H 0.567517 -0.478555 0.014974 0.219 Uiso 1 1 calc R U . . .
H10C H 0.480324 -0.523179 0.012322 0.219 Uiso 1 1 calc R U . . .
C203 C 0.960(2) 0.0561(12) 0.4998(7) 0.187(6) Uani 1 1 d D U . . .
H20A H 0.979605 0.089567 0.484244 0.281 Uiso 1 1 calc R U . A 1
H20B H 0.897130 0.061307 0.501083 0.281 Uiso 1 1 calc R U . A 1
H20C H 0.989126 0.064680 0.521071 0.281 Uiso 1 1 calc R U . A 1
C51 C 1.018(2) 0.0166(15) 0.4293(6) 0.181(8) Uani 1 1 d D U . . .
H51A H 1.003465 -0.006785 0.408640 0.272 Uiso 1 1 calc R U . A .
H51B H 1.079760 0.028357 0.430993 0.272 Uiso 1 1 calc R U . . .
H51C H 0.984024 0.059279 0.430379 0.272 Uiso 1 1 calc R U . . .
C205 C 0.4871(17) 0.0106(19) 0.5729(8) 0.193(9) Uani 1 1 d D U . . .
H20D H 0.525015 0.021557 0.555806 0.290 Uiso 1 1 calc R U . . .
H20E H 0.508165 -0.031278 0.584417 0.290 Uiso 1 1 calc R U . . .
H20F H 0.486935 0.049686 0.588080 0.290 Uiso 1 1 calc R U . . .
C103 C 0.347(3) 0.1241(14) 0.5347(10) 0.227(9) Uani 1 1 d D U . . .
H10D H 0.298822 0.140347 0.520305 0.340 Uiso 1 1 calc R U . . .
H10E H 0.346547 0.147487 0.555612 0.340 Uiso 1 1 calc R U . . .
H10F H 0.401735 0.134781 0.525146 0.340 Uiso 1 1 calc R U . . .
C207 C 1.043(2) -0.1436(17) 0.4255(7) 0.197(9) Uani 1 1 d D U . . .
H20G H 1.049127 -0.192838 0.431385 0.295 Uiso 1 1 calc R U . A .
H20H H 1.100002 -0.122746 0.424307 0.295 Uiso 1 1 calc R U . . .
H20I H 1.010063 -0.139556 0.404549 0.295 Uiso 1 1 calc R U . . .
Rh9 Rh 0.8757(2) -0.0923(4) 0.46424(8) 0.1394(19) Uani 0.541(8) 1 d D U P 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 O6 2.106(8) . ?
Rh1 O10 2.096(8) . ?
Rh1 N8 2.123(10) . ?
Rh1 C12 2.131(13) . ?
Rh1 C18 2.133(13) . ?
Rh1 C32 2.109(12) . ?
Rh1 C96 2.115(14) . ?
Rh1 C140 2.152(13) . ?
Rh4 O1 2.108(9) . ?
Rh4 O18 2.117(9) . ?
Rh4 N6 2.084(10) . ?
Rh4 C94 2.205(14) . ?
Rh4 C102 2.137(15) . ?
Rh4 C200 2.105(15) . ?
Rh4 C109 2.135(14) . ?
Rh4 C145 2.165(13) . ?
Rh6 O4 2.107(9) . ?
Rh6 N4 2.128(10) . ?
Rh6 O16 2.109(8) . ?
Rh6 C92 2.153(13) . ?
Rh6 C104 2.125(13) . ?
Rh6 C112 2.090(13) . ?
Rh6 C120 2.109(14) . ?
Rh6 C126 2.158(14) . ?
Rh8 O8 2.120(9) . ?
Rh8 O12 2.099(8) . ?
Rh8 N1 2.074(11) . ?
Rh8 C36 2.121(14) . ?
Rh8 C128 2.125(13) . ?
Rh8 C146 2.144(13) . ?
Rh8 C148 2.147(14) . ?
Rh8 C180 2.149(14) . ?
Rh2 O20 2.120(12) . ?
Rh2 N5 2.070(8) . ?
Rh2 O36 2.084(13) . ?
Rh2 C57 2.201(15) . ?
Rh2 C115 2.126(15) . ?
Rh2 C29 2.088(16) . ?
Rh2 C117 2.142(15) . ?
Rh2 C59 2.211(15) . ?
Rh5 O14 2.109(12) . ?
Rh5 O24 2.079(14) . ?
Rh5 N2 2.129(16) . ?
Rh5 C41 2.106(15) . ?
Rh5 C165 2.151(14) . ?
Rh5 C83 2.185(15) . ?
Rh5 C167 2.162(15) . ?
Rh5 C21 2.113(15) . ?
Rh3 O25 2.083(18) . ?
Rh3 O7 2.070(18) . ?
Rh3 N7 2.117(11) . ?
Rh3 C181 1.97(2) . ?
Rh3 C91 2.10(2) . ?
Rh3 C183 2.30(2) . ?
Rh3 C23 2.31(2) . ?
Rh3 C185 2.12(2) . ?
Rh7 N3 2.354(14) . ?
Rh7 C67 2.535(14) . ?
Rh7 C135 2.252(14) . ?
Rh7 C17 1.840(15) . ?
Rh7 C137 1.922(14) . ?
Rh7 C69 2.361(14) . ?
Rh7 O15 2.294(14) . ?
Rh7 O39 1.645(15) . ?
Rh7 C203 2.52(3) . ?
S1 O22 1.409(12) . ?
S1 O26 1.423(13) . ?
S1 O34 1.349(15) . ?
S1 C25 1.764(15) . ?
S4 O30 1.454(15) . ?
S4 O32 1.401(18) . ?
S4 C188 1.769(16) . ?
S4 O11 1.409(19) . ?
S6 O28 1.440(15) . ?
S6 O40 1.397(14) . ?
S6 O23 1.516(17) . ?
S6 C45 1.66(2) . ?
S8 O38 1.399(12) . ?
S8 O13 1.348(13) . ?
S8 C199 1.624(17) . ?
S8 O19 1.473(15) . ?
S2 O3 1.424(18) . ?
S2 O27 1.438(19) . ?
S2 O29 1.37(2) . ?
S2 C191 1.707(17) . ?
O1 C108 1.290(15) . ?
S5 O5 1.430(18) . ?
S5 O21 1.359(18) . ?
S5 O2 1.50(2) . ?
S5 C197 1.672(15) . ?
O4 C1 1.280(14) . ?
O6 C26 1.311(14) . ?
O8 C54 1.264(15) . ?
O10 C28 1.269(15) . ?
O12 C118 1.285(14) . ?
N1 C16 1.391(18) . ?
N1 C136 1.322(19) . ?
N4 C10 1.282(16) . ?
N4 C58 1.367(17) . ?
O14 C144 1.30(2) . ?
O16 C22 1.259(14) . ?
F1 C188 1.322(17) . ?
O18 C80 1.314(15) . ?
N6 C60 1.332(17) . ?
N6 C162 1.389(17) . ?
F4 C188 1.348(18) . ?
C1 C8 1.386(17) . ?
C1 C22 1.503(17) . ?
N8 C122 1.443(18) . ?
N8 C123 1.299(16) . ?
F6 C25 1.379(18) . ?
C4 C30 1.42(2) . ?
C4 C50 1.490(19) . ?
C4 C168 1.32(2) . ?
C6 C46 1.39(2) . ?
C6 C56 1.20(2) . ?
C8 H8 0.9500 . ?
C8 C28 1.405(18) . ?
C10 H10 0.9500 . ?
C10 C116 1.386(19) . ?
F8 C25 1.387(17) . ?
C12 C32 1.421(19) . ?
C12 C140 1.47(2) . ?
C12 C113 1.529(19) . ?
F10 C188 1.332(18) . ?
C14 C52 1.341(19) . ?
C14 C64 1.39(2) . ?
C14 C7 1.469(19) . ?
O20 C114 1.211(19) . ?
C16 H16 0.9500 . ?
C16 C100 1.439(19) . ?
C18 C32 1.359(19) . ?
C18 C96 1.44(2) . ?
C18 C202 1.51(2) . ?
C20 C34 1.40(2) . ?
C20 C64 1.386(19) . ?
C20 C132 1.568(17) . ?
C22 C44 1.375(17) . ?
C24 H24 0.9500 . ?
C24 C80 1.320(18) . ?
C24 C118 1.415(18) . ?
C26 C28 1.494(18) . ?
C26 C44 1.353(16) . ?
C30 H30 0.9500 . ?
C30 C162 1.31(2) . ?
C32 C160 1.55(2) . ?
C34 C62 1.36(2) . ?
C34 C190 1.436(19) . ?
O24 C127 1.27(2) . ?
C36 C148 1.43(2) . ?
C36 C180 1.37(2) . ?
C36 C55 1.546(18) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C38 C76 1.502(16) . ?
C40 C110 1.38(2) . ?
C40 C164 1.527(17) . ?
C40 C198 1.353(19) . ?
C42 H42 0.9500 . ?
C42 C58 1.281(18) . ?
C42 C124 1.441(18) . ?
C44 H44 0.9500 . ?
C46 C48 1.40(2) . ?
C46 C198 1.471(19) . ?
C48 C156 1.487(17) . ?
C48 C194 1.389(19) . ?
C50 C7 1.170(18) . ?
C52 C62 1.421(18) . ?
C52 C31 1.527(17) . ?
C54 C66 1.425(17) . ?
C54 C118 1.495(18) . ?
C56 C124 1.41(2) . ?
C58 H58 0.9500 . ?
C60 H60 0.9500 . ?
C60 C168 1.373(18) . ?
C62 C53 1.526(17) . ?
C64 C107 1.527(16) . ?
C66 H66 0.9500 . ?
C66 C108 1.383(18) . ?
N2 C147 1.35(3) . ?
N2 C37 1.33(2) . ?
C68 C70 1.3900 . ?
C68 C78 1.3900 . ?
C68 C119 1.43(2) . ?
C70 C72 1.3900 . ?
C70 C149 1.496(17) . ?
C72 C74 1.3900 . ?
C72 C182 1.531(18) . ?
C74 C76 1.3900 . ?
C74 C184 1.42(2) . ?
C76 C78 1.3900 . ?
C78 C33 1.515(17) . ?
C80 C108 1.505(18) . ?
N5 C82 1.3900 . ?
N5 C90 1.3900 . ?
C82 H82 0.9500 . ?
C82 C84 1.3900 . ?
C84 H84 0.9500 . ?
C84 C86 1.3900 . ?
C86 C88 1.3900 . ?
C86 C13 1.42(2) . ?
C88 H88 0.9500 . ?
C88 C90 1.3900 . ?
C90 H90 0.9500 . ?
S3 O31 1.451(19) . ?
S3 O33 1.449(19) . ?
S3 C3 1.695(13) . ?
S3 O17 1.45(2) . ?
F12 C25 1.276(17) . ?
C92 C112 1.48(2) . ?
C92 C126 1.33(2) . ?
C92 C65 1.44(2) . ?
C94 C102 1.43(2) . ?
C94 C192 1.44(2) . ?
C94 C109 1.48(2) . ?
C96 C140 1.45(2) . ?
C96 C63 1.50(2) . ?
C98 C142 1.35(3) . ?
C98 C105 1.43(3) . ?
C98 C61 1.33(3) . ?
C100 H100 0.9500 . ?
C100 C196 1.34(2) . ?
C102 C130 1.53(2) . ?
C102 C200 1.40(2) . ?
C104 C112 1.40(2) . ?
C104 C120 1.44(2) . ?
C104 C138 1.52(2) . ?
C106 C134 1.442(18) . ?
C106 C150 1.35(2) . ?
C106 C186 1.43(2) . ?
C110 C194 1.47(2) . ?
C110 C27 1.43(2) . ?
C112 C129 1.48(2) . ?
C114 C166 1.44(2) . ?
C114 C111 1.56(3) . ?
C116 H116 0.9500 . ?
C116 C124 1.418(19) . ?
C120 C126 1.48(2) . ?
C120 C161 1.45(2) . ?
C122 H122 0.9500 . ?
C122 C150 1.336(19) . ?
C126 C73 1.48(2) . ?
C128 C146 1.47(2) . ?
C128 C180 1.40(2) . ?
C128 C163 1.519(18) . ?
C130 H13D 0.9800 . ?
C130 H13E 0.9800 . ?
C130 H13F 0.9800 . ?
C132 H13G 0.9800 . ?
C132 H13H 0.9800 . ?
C132 H13I 0.9800 . ?
C134 C190 1.211(18) . ?
C136 H136 0.9500 . ?
C136 C154 1.50(2) . ?
C138 H13J 0.9800 . ?
C138 H13K 0.9800 . ?
C138 H13L 0.9800 . ?
C140 C152 1.48(2) . ?
C142 C184 1.24(3) . ?
C144 C166 1.46(2) . ?
C144 C127 1.42(3) . ?
C146 C148 1.40(2) . ?
C146 C121 1.531(18) . ?
C148 C208 1.474(18) . ?
C150 H150 0.9500 . ?
C152 H15D 0.9800 . ?
C152 H15E 0.9800 . ?
C152 H15F 0.9800 . ?
C154 H154 0.9500 . ?
C154 C196 1.39(2) . ?
C156 H15G 0.9800 . ?
C156 H15H 0.9800 . ?
C156 H15I 0.9800 . ?
C158 H15J 0.9800 . ?
C158 H15K 0.9800 . ?
C158 H15L 0.9800 . ?
C158 C109 1.48(2) . ?
O36 C111 1.27(2) . ?
C160 H16A 0.9800 . ?
C160 H16B 0.9800 . ?
C160 H16C 0.9800 . ?
C162 H162 0.9500 . ?
C164 H16D 0.9800 . ?
C164 H16E 0.9800 . ?
C164 H16F 0.9800 . ?
C166 H166 0.9500 . ?
C168 H168 0.9500 . ?
N3 C170 1.3900 . ?
N3 C178 1.3900 . ?
N3 Rh9 2.044(11) . ?
C170 H170 0.9500 . ?
C170 C172 1.3900 . ?
C172 H172 0.9500 . ?
C172 C174 1.3900 . ?
C174 C176 1.3900 . ?
C174 C125 1.42(2) . ?
C176 H176 0.9500 . ?
C176 C178 1.3900 . ?
C178 H178 0.9500 . ?
C180 C204 1.571(17) . ?
C182 H18A 0.9800 . ?
C182 H18B 0.9800 . ?
C182 H18C 0.9800 . ?
C186 H186 0.9500 . ?
C186 C123 1.352(19) . ?
C192 H19G 0.9800 . ?
C192 H19H 0.9800 . ?
C192 H19I 0.9800 . ?
C194 C206 1.472(17) . ?
C196 C15 1.42(2) . ?
C198 C159 1.548(17) . ?
C200 C145 1.38(2) . ?
C200 C43 1.53(2) . ?
C202 H20J 0.9800 . ?
C202 H20K 0.9800 . ?
C202 H20L 0.9800 . ?
C204 H20M 0.9800 . ?
C204 H20N 0.9800 . ?
C204 H20O 0.9800 . ?
C206 H20P 0.9800 . ?
C206 H20Q 0.9800 . ?
C206 H20R 0.9800 . ?
C208 H20S 0.9800 . ?
C208 H20T 0.9800 . ?
C208 H20U 0.9800 . ?
C13 C131 1.16(3) . ?
C105 H105 0.9500 . ?
C105 C37 1.33(2) . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C107 H10G 0.9800 . ?
C107 H10H 0.9800 . ?
C107 H10I 0.9800 . ?
C27 C15 1.19(2) . ?
C109 C145 1.45(2) . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C111 C75 1.34(2) . ?
C113 H11A 0.9800 . ?
C113 H11B 0.9800 . ?
C113 H11C 0.9800 . ?
C57 C115 1.4200 . ?
C57 C59 1.4200 . ?
C57 C97 1.515(15) . ?
C115 C29 1.4200 . ?
C115 C81 1.544(15) . ?
C29 C117 1.4200 . ?
C29 C193 1.540(16) . ?
C117 C59 1.4200 . ?
C117 C187 1.542(16) . ?
C59 C5 1.556(15) . ?
C119 C125 1.12(3) . ?
C121 H12A 0.9800 . ?
C121 H12B 0.9800 . ?
C121 H12C 0.9800 . ?
C61 H61 0.9500 . ?
C61 C147 1.43(3) . ?
F14 C199 1.40(2) . ?
F16 C199 1.38(2) . ?
C123 H123 0.9500 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C127 C75 1.52(3) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C2 C165 1.44(2) . ?
C129 H12D 0.9800 . ?
C129 H12E 0.9800 . ?
C129 H12F 0.9800 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C131 C71 1.42(2) . ?
O25 C153 1.307(17) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C133 H13A 0.9800 . ?
C133 H13B 0.9800 . ?
C133 H13C 0.9800 . ?
C133 C143 1.54(2) . ?
C67 C135 1.4200 . ?
C67 C69 1.4200 . ?
C67 C49 1.544(17) . ?
C67 Rh9 1.784(15) . ?
C135 C17 1.4200 . ?
C135 C195 1.560(16) . ?
C135 Rh9 2.056(13) . ?
C17 C137 1.4200 . ?
C17 C203 1.517(15) . ?
C17 Rh9 2.340(13) . ?
C137 C69 1.4200 . ?
C137 C51 1.519(14) . ?
C137 Rh9 2.281(13) . ?
C69 C207 1.578(16) . ?
C69 Rh9 1.946(13) . ?
C139 C35 1.3900 . ?
C139 C9 1.3900 . ?
C139 C89 1.46(3) . ?
C35 C141 1.3900 . ?
C35 C179 1.56(2) . ?
C141 C71 1.3900 . ?
C141 C79 1.56(2) . ?
C71 C143 1.3900 . ?
C143 C9 1.3900 . ?
C9 C47 1.54(2) . ?
C145 C169 1.48(2) . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
F18 C199 1.37(2) . ?
C147 H147 0.9500 . ?
F20 C45 1.29(3) . ?
C37 H37 0.9500 . ?
C149 H14A 0.9800 . ?
C149 H14B 0.9800 . ?
C149 H14C 0.9800 . ?
C75 H75 0.9500 . ?
F22 C45 1.46(3) . ?
C151 H15A 0.9800 . ?
C151 H15B 0.9800 . ?
C151 H15C 0.9800 . ?
C151 C21 1.46(3) . ?
C19 C153 1.3900 . ?
C19 C157 1.3900 . ?
C19 O7 1.352(19) . ?
C153 C77 1.3900 . ?
C77 H77 0.9500 . ?
C77 C155 1.3900 . ?
C155 C39 1.3900 . ?
C155 O15 1.333(15) . ?
C39 C157 1.3900 . ?
C39 O39 1.263(15) . ?
C157 H157 0.9500 . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
C159 H15M 0.9800 . ?
C159 H15N 0.9800 . ?
C159 H15O 0.9800 . ?
F24 C3 1.33(2) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
F3 C45 1.37(3) . ?
C161 H16G 0.9800 . ?
C161 H16H 0.9800 . ?
C161 H16I 0.9800 . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
O15 Rh9 1.697(13) . ?
C163 H16J 0.9800 . ?
C163 H16K 0.9800 . ?
C163 H16L 0.9800 . ?
F13 C197 1.36(2) . ?
C41 C165 1.4200 . ?
C41 C21 1.4200 . ?
C41 C93 1.51(3) . ?
C165 C83 1.4200 . ?
C83 C167 1.4200 . ?
C83 C171 1.57(3) . ?
C167 C21 1.4200 . ?
C167 C101 1.53(3) . ?
C169 H16M 0.9800 . ?
C169 H16N 0.9800 . ?
C169 H16O 0.9800 . ?
F7 C3 1.37(2) . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
C85 C183 1.43(4) . ?
C171 H17A 0.9800 . ?
C171 H17B 0.9800 . ?
C171 H17C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
F15 C191 1.34(2) . ?
N7 C173 1.3900 . ?
N7 C177 1.3900 . ?
C173 H173 0.9500 . ?
C173 C87 1.3900 . ?
C87 H87 0.9500 . ?
C87 C175 1.3900 . ?
C175 C11 1.3900 . ?
C175 C201 1.36(3) . ?
C11 H11 0.9500 . ?
C11 C177 1.3900 . ?
C177 H177 0.9500 . ?
C89 C201 1.22(3) . ?
C179 H17D 0.9800 . ?
C179 H17E 0.9800 . ?
C179 H17F 0.9800 . ?
F2 C197 1.27(2) . ?
C181 C91 1.4200 . ?
C181 C185 1.4200 . ?
C181 C103 1.538(17) . ?
C91 C183 1.4200 . ?
C91 C205 1.549(17) . ?
C183 C23 1.4200 . ?
C23 C185 1.4200 . ?
C23 C95 1.48(4) . ?
C185 C189 1.61(4) . ?
C93 H93A 0.9800 . ?
C93 H93B 0.9800 . ?
C93 H93C 0.9800 . ?
C187 H18D 0.9800 . ?
C187 H18E 0.9800 . ?
C187 H18F 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C189 H18G 0.9800 . ?
C189 H18H 0.9800 . ?
C189 H18I 0.9800 . ?
F17 C191 1.38(2) . ?
C95 H95A 0.9800 . ?
C95 H95B 0.9800 . ?
C95 H95C 0.9800 . ?
F9 C191 1.33(2) . ?
S7 O35 1.499(18) . ?
S7 O9 1.387(18) . ?
S7 C99 1.733(19) . ?
S7 O37 1.411(19) . ?
F19 C99 1.34(2) . ?
F5 C99 1.33(2) . ?
C3 F23 1.34(2) . ?
F21 C99 1.33(2) . ?
C193 H19A 0.9800 . ?
C193 H19B 0.9800 . ?
C193 H19C 0.9800 . ?
C97 H97A 0.9800 . ?
C97 H97B 0.9800 . ?
C97 H97C 0.9800 . ?
C195 H19D 0.9800 . ?
C195 H19E 0.9800 . ?
C195 H19F 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C197 F11 1.38(2) . ?
O39 Rh9 2.341(16) . ?
C101 H10A 0.9800 . ?
C101 H10B 0.9800 . ?
C101 H10C 0.9800 . ?
C203 H20A 0.9800 . ?
C203 H20B 0.9800 . ?
C203 H20C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C205 H20D 0.9800 . ?
C205 H20E 0.9800 . ?
C205 H20F 0.9800 . ?
C103 H10D 0.9800 . ?
C103 H10E 0.9800 . ?
C103 H10F 0.9800 . ?
C207 H20G 0.9800 . ?
C207 H20H 0.9800 . ?
C207 H20I 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
O6 Rh1 N8 85.4(4) . . ?
O6 Rh1 C12 116.6(4) . . ?
O6 Rh1 C18 111.3(5) . . ?
O6 Rh1 C32 97.6(4) . . ?
O6 Rh1 C96 149.4(5) . . ?
O6 Rh1 C140 156.5(4) . . ?
O10 Rh1 O6 77.3(3) . . ?
O10 Rh1 N8 84.4(4) . . ?
O10 Rh1 C12 163.3(4) . . ?
O10 Rh1 C18 101.8(5) . . ?
O10 Rh1 C32 134.5(4) . . ?
O10 Rh1 C96 97.2(5) . . ?
O10 Rh1 C140 126.3(5) . . ?
N8 Rh1 C12 105.1(5) . . ?
N8 Rh1 C18 163.0(5) . . ?
N8 Rh1 C140 96.9(5) . . ?
C12 Rh1 C18 65.4(5) . . ?
C12 Rh1 C140 40.2(5) . . ?
C18 Rh1 C140 66.6(5) . . ?
C32 Rh1 N8 140.8(4) . . ?
C32 Rh1 C12 39.2(5) . . ?
C32 Rh1 C18 37.4(5) . . ?
C32 Rh1 C96 64.6(6) . . ?
C32 Rh1 C140 66.0(5) . . ?
C96 Rh1 N8 124.4(5) . . ?
C96 Rh1 C12 66.2(5) . . ?
C96 Rh1 C18 39.7(6) . . ?
C96 Rh1 C140 39.7(6) . . ?
O1 Rh4 O18 77.6(3) . . ?
O1 Rh4 C94 98.7(5) . . ?
O1 Rh4 C102 124.5(5) . . ?
O1 Rh4 C109 107.1(5) . . ?
O1 Rh4 C145 143.5(5) . . ?
O18 Rh4 C94 124.8(5) . . ?
O18 Rh4 C102 99.2(5) . . ?
O18 Rh4 C109 163.7(4) . . ?
O18 Rh4 C145 138.8(5) . . ?
N6 Rh4 O1 85.9(4) . . ?
N6 Rh4 O18 86.5(4) . . ?
N6 Rh4 C94 148.7(5) . . ?
N6 Rh4 C102 149.6(5) . . ?
N6 Rh4 C200 111.0(5) . . ?
N6 Rh4 C109 109.2(5) . . ?
N6 Rh4 C145 93.0(5) . . ?
C102 Rh4 C94 38.5(6) . . ?
C102 Rh4 C145 63.1(6) . . ?
C200 Rh4 O1 163.0(5) . . ?
C200 Rh4 O18 104.9(5) . . ?
C200 Rh4 C94 65.8(6) . . ?
C200 Rh4 C102 38.7(6) . . ?
C200 Rh4 C109 65.9(6) . . ?
C200 Rh4 C145 37.7(6) . . ?
C109 Rh4 C94 39.8(5) . . ?
C109 Rh4 C102 65.0(6) . . ?
C109 Rh4 C145 39.4(6) . . ?
C145 Rh4 C94 65.1(5) . . ?
O4 Rh6 N4 86.5(4) . . ?
O4 Rh6 O16 76.1(3) . . ?
O4 Rh6 C92 125.3(5) . . ?
O4 Rh6 C104 136.8(5) . . ?
O4 Rh6 C120 101.9(5) . . ?
O4 Rh6 C126 98.9(5) . . ?
N4 Rh6 C92 148.2(5) . . ?
N4 Rh6 C126 153.7(5) . . ?
O16 Rh6 N4 85.9(4) . . ?
O16 Rh6 C92 99.9(5) . . ?
O16 Rh6 C104 147.0(5) . . ?
O16 Rh6 C120 160.9(5) . . ?
O16 Rh6 C126 120.4(4) . . ?
C92 Rh6 C126 36.0(6) . . ?
C104 Rh6 N4 92.9(5) . . ?
C104 Rh6 C92 65.3(6) . . ?
C104 Rh6 C126 65.5(5) . . ?
C112 Rh6 O4 164.1(5) . . ?
C112 Rh6 N4 107.9(5) . . ?
C112 Rh6 O16 110.8(5) . . ?
C112 Rh6 C92 40.7(6) . . ?
C112 Rh6 C104 38.7(6) . . ?
C112 Rh6 C120 66.7(6) . . ?
C112 Rh6 C126 65.2(6) . . ?
C120 Rh6 N4 113.1(5) . . ?
C120 Rh6 C92 65.3(6) . . ?
C120 Rh6 C104 39.6(6) . . ?
C120 Rh6 C126 40.6(6) . . ?
O8 Rh8 C36 154.0(5) . . ?
O8 Rh8 C128 115.1(5) . . ?
O8 Rh8 C146 97.1(4) . . ?
O8 Rh8 C148 115.2(5) . . ?
O8 Rh8 C180 152.5(5) . . ?
O12 Rh8 O8 77.5(3) . . ?
O12 Rh8 C36 128.3(5) . . ?
O12 Rh8 C128 100.5(4) . . ?
O12 Rh8 C146 133.9(5) . . ?
O12 Rh8 C148 163.4(4) . . ?
O12 Rh8 C180 97.9(5) . . ?
N1 Rh8 O8 84.7(4) . . ?
N1 Rh8 O12 86.3(4) . . ?
N1 Rh8 C36 98.6(5) . . ?
N1 Rh8 C128 159.9(5) . . ?
N1 Rh8 C146 139.4(5) . . ?
N1 Rh8 C148 104.8(5) . . ?
N1 Rh8 C180 122.4(5) . . ?
C36 Rh8 C128 62.3(6) . . ?
C36 Rh8 C146 63.8(5) . . ?
C36 Rh8 C148 39.0(6) . . ?
C36 Rh8 C180 37.4(6) . . ?
C128 Rh8 C146 40.1(6) . . ?
C128 Rh8 C148 65.0(5) . . ?
C128 Rh8 C180 38.3(6) . . ?
C146 Rh8 C148 38.2(6) . . ?
C146 Rh8 C180 66.3(6) . . ?
C148 Rh8 C180 65.8(5) . . ?
O20 Rh2 C57 96.6(5) . . ?
O20 Rh2 C115 128.6(5) . . ?
O20 Rh2 C117 126.4(5) . . ?
O20 Rh2 C59 95.7(5) . . ?
N5 Rh2 O20 84.7(5) . . ?
N5 Rh2 O36 84.3(5) . . ?
N5 Rh2 C57 123.7(5) . . ?
N5 Rh2 C115 101.3(5) . . ?
N5 Rh2 C29 112.2(5) . . ?
N5 Rh2 C117 148.5(5) . . ?
N5 Rh2 C59 161.3(5) . . ?
O36 Rh2 O20 77.1(5) . . ?
O36 Rh2 C57 151.0(5) . . ?
O36 Rh2 C115 153.9(5) . . ?
O36 Rh2 C29 114.8(5) . . ?
O36 Rh2 C117 96.8(5) . . ?
O36 Rh2 C59 114.1(5) . . ?
C57 Rh2 C59 37.5(2) . . ?
C115 Rh2 C57 38.3(2) . . ?
C115 Rh2 C117 65.1(3) . . ?
C115 Rh2 C59 63.9(3) . . ?
C29 Rh2 O20 159.5(5) . . ?
C29 Rh2 C57 64.7(3) . . ?
C29 Rh2 C115 39.4(3) . . ?
C29 Rh2 C117 39.2(3) . . ?
C29 Rh2 C59 64.5(3) . . ?
C117 Rh2 C57 63.9(3) . . ?
C117 Rh2 C59 38.0(2) . . ?
O14 Rh5 N2 89.0(5) . . ?
O14 Rh5 C165 115.0(5) . . ?
O14 Rh5 C83 94.9(5) . . ?
O14 Rh5 C167 109.5(5) . . ?
O14 Rh5 C21 147.2(6) . . ?
O24 Rh5 O14 77.6(5) . . ?
O24 Rh5 N2 88.0(6) . . ?
O24 Rh5 C41 100.2(5) . . ?
O24 Rh5 C165 96.1(5) . . ?
O24 Rh5 C83 125.2(6) . . ?
O24 Rh5 C167 160.5(5) . . ?
O24 Rh5 C21 134.9(6) . . ?
N2 Rh5 C165 156.0(6) . . ?
N2 Rh5 C83 146.7(6) . . ?
N2 Rh5 C167 109.8(6) . . ?
C41 Rh5 O14 153.9(5) . . ?
C41 Rh5 N2 117.0(6) . . ?
C41 Rh5 C165 39.0(2) . . ?
C41 Rh5 C83 64.7(3) . . ?
C41 Rh5 C167 65.1(3) . . ?
C41 Rh5 C21 39.3(2) . . ?
C165 Rh5 C83 38.2(2) . . ?
C165 Rh5 C167 64.4(3) . . ?
C167 Rh5 C83 38.1(2) . . ?
C21 Rh5 N2 95.3(5) . . ?
C21 Rh5 C165 65.2(3) . . ?
C21 Rh5 C83 64.6(3) . . ?
C21 Rh5 C167 38.8(2) . . ?
O25 Rh3 N7 85.6(7) . . ?
O25 Rh3 C91 102.3(8) . . ?
O25 Rh3 C183 87.7(8) . . ?
O25 Rh3 C23 107.5(9) . . ?
O25 Rh3 C185 144.6(9) . . ?
O7 Rh3 O25 79.6(8) . . ?
O7 Rh3 N7 88.5(7) . . ?
O7 Rh3 C91 109.8(8) . . ?
O7 Rh3 C183 140.8(8) . . ?
O7 Rh3 C23 170.2(8) . . ?
O7 Rh3 C185 135.6(9) . . ?
N7 Rh3 C183 127.6(8) . . ?
N7 Rh3 C23 98.7(7) . . ?
C181 Rh3 O25 142.7(8) . . ?
C181 Rh3 O7 106.0(9) . . ?
C181 Rh3 N7 130.6(8) . . ?
C181 Rh3 C91 40.6(4) . . ?
C181 Rh3 C183 64.4(4) . . ?
C181 Rh3 C23 64.2(4) . . ?
C181 Rh3 C185 40.4(4) . . ?
C91 Rh3 N7 160.9(7) . . ?
C91 Rh3 C183 37.3(4) . . ?
C91 Rh3 C23 62.5(4) . . ?
C91 Rh3 C185 66.0(5) . . ?
C183 Rh3 C23 35.8(3) . . ?
C185 Rh3 N7 97.4(7) . . ?
C185 Rh3 C183 62.5(4) . . ?
C185 Rh3 C23 37.1(3) . . ?
N3 Rh7 C67 91.4(7) . . ?
N3 Rh7 C69 79.1(6) . . ?
N3 Rh7 C203 163.4(9) . . ?
C135 Rh7 N3 123.9(7) . . ?
C135 Rh7 C67 33.85(19) . . ?
C135 Rh7 C69 59.7(3) . . ?
C135 Rh7 O15 81.0(7) . . ?
C135 Rh7 C203 67.2(7) . . ?
C17 Rh7 N3 143.7(7) . . ?
C17 Rh7 C67 60.9(3) . . ?
C17 Rh7 C135 39.0(3) . . ?
C17 Rh7 C137 44.3(3) . . ?
C17 Rh7 C69 64.9(3) . . ?
C17 Rh7 O15 118.7(8) . . ?
C17 Rh7 C203 36.7(7) . . ?
C137 Rh7 N3 102.9(7) . . ?
C137 Rh7 C67 60.2(3) . . ?
C137 Rh7 C135 66.2(3) . . ?
C137 Rh7 C69 37.0(2) . . ?
C137 Rh7 O15 135.3(8) . . ?
C137 Rh7 C203 68.9(8) . . ?
C69 Rh7 C67 33.47(18) . . ?
C69 Rh7 C203 99.5(7) . . ?
O15 Rh7 N3 70.4(6) . . ?
O15 Rh7 C67 75.6(6) . . ?
O15 Rh7 C69 100.5(7) . . ?
O15 Rh7 C203 125.8(9) . . ?
O39 Rh7 N3 83.5(8) . . ?
O39 Rh7 C67 143.2(8) . . ?
O39 Rh7 C135 128.9(8) . . ?
O39 Rh7 C17 132.7(9) . . ?
O39 Rh7 C137 156.3(10) . . ?
O39 Rh7 C69 161.8(9) . . ?
O39 Rh7 O15 68.4(6) . . ?
O39 Rh7 C203 98.6(10) . . ?
C203 Rh7 C67 96.3(7) . . ?
O22 S1 O26 117.1(9) . . ?
O22 S1 C25 105.2(8) . . ?
O26 S1 C25 103.7(8) . . ?
O34 S1 O22 115.8(9) . . ?
O34 S1 O26 110.9(10) . . ?
O34 S1 C25 102.1(9) . . ?
O30 S4 C188 104.1(8) . . ?
O32 S4 O30 116.8(11) . . ?
O32 S4 C188 103.1(10) . . ?
O32 S4 O11 116.9(12) . . ?
O11 S4 O30 112.5(11) . . ?
O11 S4 C188 100.4(10) . . ?
O28 S6 O23 104.4(11) . . ?
O28 S6 C45 110.8(13) . . ?
O40 S6 O28 115.3(9) . . ?
O40 S6 O23 113.5(10) . . ?
O40 S6 C45 100.8(12) . . ?
O23 S6 C45 112.2(13) . . ?
O38 S8 C199 105.5(11) . . ?
O38 S8 O19 105.6(12) . . ?
O13 S8 O38 121.8(11) . . ?
O13 S8 C199 109.1(12) . . ?
O13 S8 O19 113.5(14) . . ?
O19 S8 C199 98.6(12) . . ?
O3 S2 O27 115.8(11) . . ?
O3 S2 C191 107.2(11) . . ?
O27 S2 C191 106.7(13) . . ?
O29 S2 O3 110.0(15) . . ?
O29 S2 O27 108.9(15) . . ?
O29 S2 C191 108.0(13) . . ?
C108 O1 Rh4 115.7(8) . . ?
O5 S5 O2 112.6(16) . . ?
O5 S5 C197 103.0(11) . . ?
O21 S5 O5 116.3(14) . . ?
O21 S5 O2 115.8(16) . . ?
O21 S5 C197 104.7(12) . . ?
O2 S5 C197 102.0(13) . . ?
C1 O4 Rh6 116.1(8) . . ?
C26 O6 Rh1 114.6(7) . . ?
C54 O8 Rh8 113.5(8) . . ?
C28 O10 Rh1 115.8(8) . . ?
C118 O12 Rh8 115.3(8) . . ?
C16 N1 Rh8 120.3(9) . . ?
C136 N1 Rh8 120.0(10) . . ?
C136 N1 C16 119.6(12) . . ?
C10 N4 Rh6 120.0(9) . . ?
C10 N4 C58 117.7(11) . . ?
C58 N4 Rh6 122.0(8) . . ?
C144 O14 Rh5 110.8(11) . . ?
C22 O16 Rh6 116.5(8) . . ?
C80 O18 Rh4 114.6(8) . . ?
C60 N6 Rh4 121.7(8) . . ?
C60 N6 C162 115.9(11) . . ?
C162 N6 Rh4 121.9(9) . . ?
O4 C1 C8 123.0(11) . . ?
O4 C1 C22 115.1(10) . . ?
C8 C1 C22 121.7(10) . . ?
C122 N8 Rh1 117.1(8) . . ?
C123 N8 Rh1 124.6(9) . . ?
C123 N8 C122 118.2(11) . . ?
C30 C4 C50 116.9(12) . . ?
C168 C4 C30 119.3(13) . . ?
C168 C4 C50 123.6(13) . . ?
C56 C6 C46 176.5(17) . . ?
C1 C8 H8 121.4 . . ?
C1 C8 C28 117.3(12) . . ?
C28 C8 H8 121.4 . . ?
N4 C10 H10 117.8 . . ?
N4 C10 C116 124.3(13) . . ?
C116 C10 H10 117.8 . . ?
C32 C12 Rh1 69.6(7) . . ?
C32 C12 C140 106.7(11) . . ?
C32 C12 C113 128.9(13) . . ?
C140 C12 Rh1 70.7(7) . . ?
C140 C12 C113 124.0(13) . . ?
C113 C12 Rh1 129.9(10) . . ?
C52 C14 C64 124.5(12) . . ?
C52 C14 C7 117.7(13) . . ?
C64 C14 C7 117.7(12) . . ?
C114 O20 Rh2 116.0(12) . . ?
N1 C16 H16 121.1 . . ?
N1 C16 C100 117.9(13) . . ?
C100 C16 H16 121.1 . . ?
C32 C18 Rh1 70.4(7) . . ?
C32 C18 C96 107.4(12) . . ?
C32 C18 C202 124.3(15) . . ?
C96 C18 Rh1 69.5(8) . . ?
C96 C18 C202 128.2(14) . . ?
C202 C18 Rh1 127.4(10) . . ?
C34 C20 C132 125.4(13) . . ?
C64 C20 C34 118.3(13) . . ?
C64 C20 C132 116.3(12) . . ?
O16 C22 C1 115.9(10) . . ?
O16 C22 C44 125.1(11) . . ?
C44 C22 C1 118.8(10) . . ?
C80 C24 H24 120.3 . . ?
C80 C24 C118 119.3(12) . . ?
C118 C24 H24 120.3 . . ?
O6 C26 C28 115.1(10) . . ?
O6 C26 C44 124.2(11) . . ?
C44 C26 C28 120.6(11) . . ?
O10 C28 C8 122.7(11) . . ?
O10 C28 C26 116.8(10) . . ?
C8 C28 C26 120.5(11) . . ?
C4 C30 H30 120.1 . . ?
C162 C30 C4 119.7(14) . . ?
C162 C30 H30 120.1 . . ?
C12 C32 Rh1 71.2(7) . . ?
C12 C32 C160 121.4(12) . . ?
C18 C32 Rh1 72.3(8) . . ?
C18 C32 C12 111.8(13) . . ?
C18 C32 C160 126.8(12) . . ?
C160 C32 Rh1 124.5(8) . . ?
C20 C34 C190 113.7(13) . . ?
C62 C34 C20 124.5(12) . . ?
C62 C34 C190 121.8(13) . . ?
C127 O24 Rh5 115.3(12) . . ?
C148 C36 Rh8 71.5(8) . . ?
C148 C36 C55 124.8(15) . . ?
C180 C36 Rh8 72.4(8) . . ?
C180 C36 C148 113.4(13) . . ?
C180 C36 C55 121.7(14) . . ?
C55 C36 Rh8 122.4(11) . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C76 C38 H38A 109.5 . . ?
C76 C38 H38B 109.5 . . ?
C76 C38 H38C 109.5 . . ?
C110 C40 C164 119.3(13) . . ?
C198 C40 C110 122.1(12) . . ?
C198 C40 C164 118.6(14) . . ?
C58 C42 H42 119.2 . . ?
C58 C42 C124 121.7(13) . . ?
C124 C42 H42 119.2 . . ?
C22 C44 H44 119.6 . . ?
C26 C44 C22 120.8(11) . . ?
C26 C44 H44 119.6 . . ?
C6 C46 C48 119.5(13) . . ?
C6 C46 C198 120.5(14) . . ?
C48 C46 C198 120.0(12) . . ?
C46 C48 C156 121.1(12) . . ?
C194 C48 C46 121.3(12) . . ?
C194 C48 C156 117.5(13) . . ?
C7 C50 C4 179.8(19) . . ?
C14 C52 C62 119.3(13) . . ?
C14 C52 C31 123.9(13) . . ?
C62 C52 C31 116.7(13) . . ?
O8 C54 C66 122.4(12) . . ?
O8 C54 C118 118.4(11) . . ?
C66 C54 C118 119.2(11) . . ?
C6 C56 C124 172.0(17) . . ?
N4 C58 H58 118.3 . . ?
C42 C58 N4 123.4(12) . . ?
C42 C58 H58 118.3 . . ?
N6 C60 H60 117.9 . . ?
N6 C60 C168 124.2(13) . . ?
C168 C60 H60 117.9 . . ?
C34 C62 C52 116.3(12) . . ?
C34 C62 C53 117.1(11) . . ?
C52 C62 C53 126.4(13) . . ?
C14 C64 C20 117.0(12) . . ?
C14 C64 C107 123.0(12) . . ?
C20 C64 C107 120.0(13) . . ?
C54 C66 H66 120.6 . . ?
C108 C66 C54 118.7(12) . . ?
C108 C66 H66 120.6 . . ?
C147 N2 Rh5 117.3(14) . . ?
C37 N2 Rh5 126.1(14) . . ?
C37 N2 C147 116.2(18) . . ?
C70 C68 C78 120.0 . . ?
C70 C68 C119 117.4(12) . . ?
C78 C68 C119 122.6(12) . . ?
C68 C70 C149 122.6(11) . . ?
C72 C70 C68 120.0 . . ?
C72 C70 C149 117.4(11) . . ?
C70 C72 C74 120.0 . . ?
C70 C72 C182 120.2(12) . . ?
C74 C72 C182 119.7(12) . . ?
C72 C74 C184 119.1(12) . . ?
C76 C74 C72 120.0 . . ?
C76 C74 C184 120.8(12) . . ?
C74 C76 C38 116.5(10) . . ?
C74 C76 C78 120.0 . . ?
C78 C76 C38 123.5(10) . . ?
C68 C78 C33 121.6(10) . . ?
C76 C78 C68 120.0 . . ?
C76 C78 C33 118.4(10) . . ?
O18 C80 C24 121.7(12) . . ?
O18 C80 C108 115.9(11) . . ?
C24 C80 C108 122.4(12) . . ?
C82 N5 Rh2 121.8(6) . . ?
C82 N5 C90 120.0 . . ?
C90 N5 Rh2 118.2(6) . . ?
N5 C82 H82 120.0 . . ?
N5 C82 C84 120.0 . . ?
C84 C82 H82 120.0 . . ?
C82 C84 H84 120.0 . . ?
C86 C84 C82 120.0 . . ?
C86 C84 H84 120.0 . . ?
C84 C86 C13 118.9(12) . . ?
C88 C86 C84 120.0 . . ?
C88 C86 C13 121.1(12) . . ?
C86 C88 H88 120.0 . . ?
C86 C88 C90 120.0 . . ?
C90 C88 H88 120.0 . . ?
N5 C90 H90 120.0 . . ?
C88 C90 N5 120.0 . . ?
C88 C90 H90 120.0 . . ?
O31 S3 C3 100.6(14) . . ?
O31 S3 O17 118.7(17) . . ?
O33 S3 O31 118.8(18) . . ?
O33 S3 C3 101.3(14) . . ?
O33 S3 O17 114.1(17) . . ?
O17 S3 C3 97.2(14) . . ?
C112 C92 Rh6 67.3(7) . . ?
C126 C92 Rh6 72.1(8) . . ?
C126 C92 C112 108.9(13) . . ?
C126 C92 C65 125.4(16) . . ?
C65 C92 Rh6 124.8(11) . . ?
C65 C92 C112 125.7(16) . . ?
C102 C94 Rh4 68.2(8) . . ?
C102 C94 C192 132.6(15) . . ?
C102 C94 C109 104.2(13) . . ?
C192 C94 Rh4 128.1(11) . . ?
C192 C94 C109 123.2(15) . . ?
C109 C94 Rh4 67.6(7) . . ?
C18 C96 Rh1 70.8(8) . . ?
C18 C96 C140 109.0(13) . . ?
C18 C96 C63 128.1(15) . . ?
C140 C96 Rh1 71.5(8) . . ?
C140 C96 C63 123.0(15) . . ?
C63 C96 Rh1 124.3(10) . . ?
C142 C98 C105 117.4(19) . . ?
C61 C98 C142 128(2) . . ?
C61 C98 C105 114.2(18) . . ?
C16 C100 H100 118.8 . . ?
C196 C100 C16 122.5(15) . . ?
C196 C100 H100 118.8 . . ?
C94 C102 Rh4 73.3(8) . . ?
C94 C102 C130 127.0(16) . . ?
C130 C102 Rh4 124.2(11) . . ?
C200 C102 Rh4 69.4(9) . . ?
C200 C102 C94 111.2(14) . . ?
C200 C102 C130 121.8(16) . . ?
C112 C104 Rh6 69.3(8) . . ?
C112 C104 C120 109.2(13) . . ?
C112 C104 C138 125.2(15) . . ?
C120 C104 Rh6 69.6(7) . . ?
C120 C104 C138 125.5(15) . . ?
C138 C104 Rh6 124.4(10) . . ?
C150 C106 C134 120.4(13) . . ?
C150 C106 C186 117.3(12) . . ?
C186 C106 C134 122.0(14) . . ?
O1 C108 C66 123.8(12) . . ?
O1 C108 C80 116.2(11) . . ?
C66 C108 C80 120.0(11) . . ?
C40 C110 C194 121.3(12) . . ?
C40 C110 C27 121.0(13) . . ?
C27 C110 C194 117.6(14) . . ?
C92 C112 Rh6 71.9(8) . . ?
C92 C112 C129 126.2(15) . . ?
C104 C112 Rh6 72.0(8) . . ?
C104 C112 C92 106.8(13) . . ?
C104 C112 C129 126.2(15) . . ?
C129 C112 Rh6 129.2(11) . . ?
O20 C114 C166 121.1(16) . . ?
O20 C114 C111 116.5(15) . . ?
C166 C114 C111 121.9(15) . . ?
C10 C116 H116 120.7 . . ?
C10 C116 C124 118.7(12) . . ?
C124 C116 H116 120.7 . . ?
O12 C118 C24 124.6(11) . . ?
O12 C118 C54 115.0(11) . . ?
C24 C118 C54 120.4(11) . . ?
C104 C120 Rh6 70.8(8) . . ?
C104 C120 C126 105.2(13) . . ?
C104 C120 C161 130.6(15) . . ?
C126 C120 Rh6 71.5(7) . . ?
C161 C120 Rh6 127.6(12) . . ?
C161 C120 C126 123.7(15) . . ?
N8 C122 H122 121.5 . . ?
C150 C122 N8 117.0(13) . . ?
C150 C122 H122 121.5 . . ?
C56 C124 C42 127.0(13) . . ?
C56 C124 C116 118.7(13) . . ?
C116 C124 C42 113.9(12) . . ?
C92 C126 Rh6 71.8(8) . . ?
C92 C126 C120 109.6(13) . . ?
C92 C126 C73 131.3(15) . . ?
C120 C126 Rh6 68.0(7) . . ?
C73 C126 Rh6 123.7(11) . . ?
C73 C126 C120 119.1(15) . . ?
C146 C128 Rh8 70.6(7) . . ?
C146 C128 C163 132.0(14) . . ?
C180 C128 Rh8 71.8(8) . . ?
C180 C128 C146 109.9(12) . . ?
C180 C128 C163 118.1(14) . . ?
C163 C128 Rh8 124.7(12) . . ?
C102 C130 H13D 109.5 . . ?
C102 C130 H13E 109.5 . . ?
C102 C130 H13F 109.5 . . ?
H13D C130 H13E 109.5 . . ?
H13D C130 H13F 109.5 . . ?
H13E C130 H13F 109.5 . . ?
C20 C132 H13G 109.5 . . ?
C20 C132 H13H 109.5 . . ?
C20 C132 H13I 109.5 . . ?
H13G C132 H13H 109.5 . . ?
H13G C132 H13I 109.5 . . ?
H13H C132 H13I 109.5 . . ?
C190 C134 C106 177.7(17) . . ?
N1 C136 H136 118.2 . . ?
N1 C136 C154 123.6(15) . . ?
C154 C136 H136 118.2 . . ?
C104 C138 H13J 109.5 . . ?
C104 C138 H13K 109.5 . . ?
C104 C138 H13L 109.5 . . ?
H13J C138 H13K 109.5 . . ?
H13J C138 H13L 109.5 . . ?
H13K C138 H13L 109.5 . . ?
C12 C140 Rh1 69.1(7) . . ?
C12 C140 C152 123.8(14) . . ?
C96 C140 Rh1 68.8(8) . . ?
C96 C140 C12 105.1(12) . . ?
C96 C140 C152 130.9(15) . . ?
C152 C140 Rh1 129.1(10) . . ?
C184 C142 C98 171(2) . . ?
O14 C144 C166 116.5(16) . . ?
O14 C144 C127 120.0(16) . . ?
C127 C144 C166 123.3(16) . . ?
C128 C146 Rh8 69.2(8) . . ?
C128 C146 C121 123.4(14) . . ?
C148 C146 Rh8 71.0(8) . . ?
C148 C146 C128 106.2(12) . . ?
C148 C146 C121 130.4(15) . . ?
C121 C146 Rh8 122.6(10) . . ?
C36 C148 Rh8 69.5(8) . . ?
C36 C148 C208 130.7(15) . . ?
C146 C148 Rh8 70.8(8) . . ?
C146 C148 C36 105.6(12) . . ?
C146 C148 C208 123.6(15) . . ?
C208 C148 Rh8 127.6(10) . . ?
C106 C150 H150 117.7 . . ?
C122 C150 C106 124.6(13) . . ?
C122 C150 H150 117.7 . . ?
C140 C152 H15D 109.5 . . ?
C140 C152 H15E 109.5 . . ?
C140 C152 H15F 109.5 . . ?
H15D C152 H15E 109.5 . . ?
H15D C152 H15F 109.5 . . ?
H15E C152 H15F 109.5 . . ?
C136 C154 H154 122.8 . . ?
C196 C154 C136 114.4(14) . . ?
C196 C154 H154 122.8 . . ?
C48 C156 H15G 109.5 . . ?
C48 C156 H15H 109.5 . . ?
C48 C156 H15I 109.5 . . ?
H15G C156 H15H 109.5 . . ?
H15G C156 H15I 109.5 . . ?
H15H C156 H15I 109.5 . . ?
H15J C158 H15K 109.5 . . ?
H15J C158 H15L 109.5 . . ?
H15K C158 H15L 109.5 . . ?
C109 C158 H15J 109.5 . . ?
C109 C158 H15K 109.5 . . ?
C109 C158 H15L 109.5 . . ?
C111 O36 Rh2 116.3(11) . . ?
C32 C160 H16A 109.5 . . ?
C32 C160 H16B 109.5 . . ?
C32 C160 H16C 109.5 . . ?
H16A C160 H16B 109.5 . . ?
H16A C160 H16C 109.5 . . ?
H16B C160 H16C 109.5 . . ?
N6 C162 H162 118.9 . . ?
C30 C162 N6 122.1(14) . . ?
C30 C162 H162 118.9 . . ?
C40 C164 H16D 109.5 . . ?
C40 C164 H16E 109.5 . . ?
C40 C164 H16F 109.5 . . ?
H16D C164 H16E 109.5 . . ?
H16D C164 H16F 109.5 . . ?
H16E C164 H16F 109.5 . . ?
C114 C166 C144 113.0(16) . . ?
C114 C166 H166 123.5 . . ?
C144 C166 H166 123.5 . . ?
C4 C168 C60 118.5(14) . . ?
C4 C168 H168 120.8 . . ?
C60 C168 H168 120.8 . . ?
C170 N3 Rh7 98.2(9) . . ?
C170 N3 C178 120.0 . . ?
C170 N3 Rh9 127.3(9) . . ?
C178 N3 Rh7 141.8(9) . . ?
C178 N3 Rh9 112.4(9) . . ?
N3 C170 H170 120.0 . . ?
N3 C170 C172 120.0 . . ?
C172 C170 H170 120.0 . . ?
C170 C172 H172 120.0 . . ?
C174 C172 C170 120.0 . . ?
C174 C172 H172 120.0 . . ?
C172 C174 C125 122.0(15) . . ?
C176 C174 C172 120.0 . . ?
C176 C174 C125 117.9(15) . . ?
C174 C176 H176 120.0 . . ?
C178 C176 C174 120.0 . . ?
C178 C176 H176 120.0 . . ?
N3 C178 H178 120.0 . . ?
C176 C178 N3 120.0 . . ?
C176 C178 H178 120.0 . . ?
C36 C180 Rh8 70.2(8) . . ?
C36 C180 C128 104.9(12) . . ?
C36 C180 C204 130.7(15) . . ?
C128 C180 Rh8 69.9(8) . . ?
C128 C180 C204 124.2(14) . . ?
C204 C180 Rh8 119.9(10) . . ?
C72 C182 H18A 109.5 . . ?
C72 C182 H18B 109.5 . . ?
C72 C182 H18C 109.5 . . ?
H18A C182 H18B 109.5 . . ?
H18A C182 H18C 109.5 . . ?
H18B C182 H18C 109.5 . . ?
C142 C184 C74 177(2) . . ?
C106 C186 H186 121.5 . . ?
C123 C186 C106 117.1(13) . . ?
C123 C186 H186 121.5 . . ?
F1 C188 S4 115.4(12) . . ?
F1 C188 F4 105.7(14) . . ?
F1 C188 F10 109.1(15) . . ?
F4 C188 S4 111.1(12) . . ?
F10 C188 S4 111.6(11) . . ?
F10 C188 F4 103.3(13) . . ?
C134 C190 C34 175.8(16) . . ?
C94 C192 H19G 109.5 . . ?
C94 C192 H19H 109.5 . . ?
C94 C192 H19I 109.5 . . ?
H19G C192 H19H 109.5 . . ?
H19G C192 H19I 109.5 . . ?
H19H C192 H19I 109.5 . . ?
C48 C194 C110 117.0(13) . . ?
C48 C194 C206 123.9(13) . . ?
C110 C194 C206 119.2(13) . . ?
C100 C196 C154 121.7(14) . . ?
C100 C196 C15 122.7(16) . . ?
C154 C196 C15 115.6(15) . . ?
C40 C198 C46 118.3(13) . . ?
C40 C198 C159 124.9(12) . . ?
C46 C198 C159 116.8(12) . . ?
C102 C200 Rh4 71.9(9) . . ?
C102 C200 C43 128.0(16) . . ?
C145 C200 Rh4 73.6(9) . . ?
C145 C200 C102 108.0(14) . . ?
C145 C200 C43 123.7(16) . . ?
C43 C200 Rh4 125.2(11) . . ?
C18 C202 H20J 109.5 . . ?
C18 C202 H20K 109.5 . . ?
C18 C202 H20L 109.5 . . ?
H20J C202 H20K 109.5 . . ?
H20J C202 H20L 109.5 . . ?
H20K C202 H20L 109.5 . . ?
C180 C204 H20M 109.5 . . ?
C180 C204 H20N 109.5 . . ?
C180 C204 H20O 109.5 . . ?
H20M C204 H20N 109.5 . . ?
H20M C204 H20O 109.5 . . ?
H20N C204 H20O 109.5 . . ?
C194 C206 H20P 109.5 . . ?
C194 C206 H20Q 109.5 . . ?
C194 C206 H20R 109.5 . . ?
H20P C206 H20Q 109.5 . . ?
H20P C206 H20R 109.5 . . ?
H20Q C206 H20R 109.5 . . ?
C148 C208 H20S 109.5 . . ?
C148 C208 H20T 109.5 . . ?
C148 C208 H20U 109.5 . . ?
H20S C208 H20T 109.5 . . ?
H20S C208 H20U 109.5 . . ?
H20T C208 H20U 109.5 . . ?
C131 C13 C86 172(2) . . ?
C98 C105 H105 119.1 . . ?
C37 C105 C98 121.8(19) . . ?
C37 C105 H105 119.1 . . ?
C62 C53 H53A 109.5 . . ?
C62 C53 H53B 109.5 . . ?
C62 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C64 C107 H10G 109.5 . . ?
C64 C107 H10H 109.5 . . ?
C64 C107 H10I 109.5 . . ?
H10G C107 H10H 109.5 . . ?
H10G C107 H10I 109.5 . . ?
H10H C107 H10I 109.5 . . ?
C15 C27 C110 179.2(19) . . ?
C94 C109 Rh4 72.7(8) . . ?
C94 C109 C158 122.0(15) . . ?
C158 C109 Rh4 129.6(11) . . ?
C145 C109 Rh4 71.5(8) . . ?
C145 C109 C94 106.9(13) . . ?
C145 C109 C158 130.2(15) . . ?
C36 C55 H55A 109.5 . . ?
C36 C55 H55B 109.5 . . ?
C36 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
O36 C111 C114 113.8(15) . . ?
O36 C111 C75 122.0(17) . . ?
C75 C111 C114 124.1(16) . . ?
C50 C7 C14 176.7(15) . . ?
C12 C113 H11A 109.5 . . ?
C12 C113 H11B 109.5 . . ?
C12 C113 H11C 109.5 . . ?
H11A C113 H11B 109.5 . . ?
H11A C113 H11C 109.5 . . ?
H11B C113 H11C 109.5 . . ?
C115 C57 Rh2 68.0(6) . . ?
C115 C57 C59 108.0 . . ?
C115 C57 C97 125.8(12) . . ?
C59 C57 Rh2 71.6(6) . . ?
C59 C57 C97 126.1(12) . . ?
C97 C57 Rh2 123.4(14) . . ?
C57 C115 Rh2 73.7(6) . . ?
C57 C115 C29 108.0 . . ?
C57 C115 C81 121.2(12) . . ?
C29 C115 Rh2 68.9(6) . . ?
C29 C115 C81 130.7(12) . . ?
C81 C115 Rh2 122.0(13) . . ?
C115 C29 Rh2 71.7(6) . . ?
C115 C29 C193 126.0(12) . . ?
C117 C29 Rh2 72.5(6) . . ?
C117 C29 C115 108.0 . . ?
C117 C29 C193 125.3(13) . . ?
C193 C29 Rh2 114.1(15) . . ?
C29 C117 Rh2 68.3(6) . . ?
C29 C117 C59 108.0 . . ?
C29 C117 C187 130.0(12) . . ?
C59 C117 Rh2 73.6(6) . . ?
C59 C117 C187 122.0(12) . . ?
C187 C117 Rh2 123.5(15) . . ?
C57 C59 Rh2 70.8(6) . . ?
C57 C59 C5 127.4(12) . . ?
C117 C59 Rh2 68.4(6) . . ?
C117 C59 C57 108.0 . . ?
C117 C59 C5 124.6(12) . . ?
C5 C59 Rh2 125.4(14) . . ?
C125 C119 C68 176(2) . . ?
C27 C15 C196 176.6(17) . . ?
C146 C121 H12A 109.5 . . ?
C146 C121 H12B 109.5 . . ?
C146 C121 H12C 109.5 . . ?
H12A C121 H12B 109.5 . . ?
H12A C121 H12C 109.5 . . ?
H12B C121 H12C 109.5 . . ?
C98 C61 H61 118.9 . . ?
C98 C61 C147 122(2) . . ?
C147 C61 H61 118.9 . . ?
N8 C123 C186 125.5(13) . . ?
N8 C123 H123 117.3 . . ?
C186 C123 H123 117.3 . . ?
C52 C31 H31A 109.5 . . ?
C52 C31 H31B 109.5 . . ?
C52 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C119 C125 C174 177(2) . . ?
C96 C63 H63A 109.5 . . ?
C96 C63 H63B 109.5 . . ?
C96 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
O24 C127 C144 116.1(16) . . ?
O24 C127 C75 119.6(17) . . ?
C144 C127 C75 124.2(16) . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C165 C2 H2A 109.5 . . ?
C165 C2 H2B 109.5 . . ?
C165 C2 H2C 109.5 . . ?
C112 C129 H12D 109.5 . . ?
C112 C129 H12E 109.5 . . ?
C112 C129 H12F 109.5 . . ?
H12D C129 H12E 109.5 . . ?
H12D C129 H12F 109.5 . . ?
H12E C129 H12F 109.5 . . ?
C92 C65 H65A 109.5 . . ?
C92 C65 H65B 109.5 . . ?
C92 C65 H65C 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C13 C131 C71 177(2) . . ?
C153 O25 Rh3 113.1(15) . . ?
C78 C33 H33A 109.5 . . ?
C78 C33 H33B 109.5 . . ?
C78 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
H13A C133 H13B 109.5 . . ?
H13A C133 H13C 109.5 . . ?
H13B C133 H13C 109.5 . . ?
C143 C133 H13A 109.5 . . ?
C143 C133 H13B 109.5 . . ?
C143 C133 H13C 109.5 . . ?
C135 C67 Rh7 62.1(4) . . ?
C135 C67 C69 108.0 . . ?
C135 C67 C49 126.9(13) . . ?
C135 C67 Rh9 78.9(6) . . ?
C69 C67 Rh7 66.5(4) . . ?
C69 C67 C49 123.2(14) . . ?
C69 C67 Rh9 73.8(6) . . ?
C49 C67 Rh7 149.8(19) . . ?
C49 C67 Rh9 126(2) . . ?
C67 C135 Rh7 84.1(5) . . ?
C67 C135 C17 108.0 . . ?
C67 C135 C195 121.7(13) . . ?
C67 C135 Rh9 58.4(5) . . ?
C17 C135 Rh7 54.6(5) . . ?
C17 C135 C195 128.6(14) . . ?
C17 C135 Rh9 82.4(5) . . ?
C195 C135 Rh7 115.7(16) . . ?
C195 C135 Rh9 111.8(16) . . ?
C135 C17 Rh7 86.4(6) . . ?
C135 C17 C137 108.0 . . ?
C135 C17 C203 128.9(13) . . ?
C135 C17 Rh9 60.6(5) . . ?
C137 C17 Rh7 70.9(6) . . ?
C137 C17 C203 121.3(13) . . ?
C137 C17 Rh9 69.8(4) . . ?
C203 C17 Rh7 96.9(17) . . ?
C203 C17 Rh9 123.8(17) . . ?
C17 C137 Rh7 64.8(6) . . ?
C17 C137 C51 131.5(13) . . ?
C17 C137 Rh9 74.4(4) . . ?
C69 C137 Rh7 88.6(6) . . ?
C69 C137 C17 108.0 . . ?
C69 C137 C51 120.5(13) . . ?
C69 C137 Rh9 58.0(5) . . ?
C51 C137 Rh7 111.6(16) . . ?
C51 C137 Rh9 129.1(15) . . ?
C67 C69 Rh7 80.0(5) . . ?
C67 C69 C207 124.1(13) . . ?
C67 C69 Rh9 61.7(5) . . ?
C137 C69 Rh7 54.5(5) . . ?
C137 C69 C67 108.0 . . ?
C137 C69 C207 122.9(13) . . ?
C137 C69 Rh9 83.8(5) . . ?
C207 C69 Rh7 148.1(16) . . ?
C207 C69 Rh9 139.1(17) . . ?
C35 C139 C9 120.0 . . ?
C35 C139 C89 118.6(15) . . ?
C9 C139 C89 121.4(15) . . ?
C139 C35 C141 120.0 . . ?
C139 C35 C179 121.4(13) . . ?
C141 C35 C179 118.6(13) . . ?
C35 C141 C71 120.0 . . ?
C35 C141 C79 117.0(14) . . ?
C71 C141 C79 123.0(14) . . ?
C141 C71 C131 117.6(15) . . ?
C143 C71 C131 122.4(15) . . ?
C143 C71 C141 120.0 . . ?
C71 C143 C133 119.5(15) . . ?
C9 C143 C133 120.5(15) . . ?
C9 C143 C71 120.0 . . ?
C139 C9 C47 125.8(15) . . ?
C143 C9 C139 120.0 . . ?
C143 C9 C47 114.2(15) . . ?
C200 C145 Rh4 68.8(8) . . ?
C200 C145 C109 109.3(13) . . ?
C200 C145 C169 126.8(16) . . ?
C109 C145 Rh4 69.2(8) . . ?
C109 C145 C169 123.3(16) . . ?
C169 C145 Rh4 121.6(11) . . ?
C126 C73 H73A 109.5 . . ?
C126 C73 H73B 109.5 . . ?
C126 C73 H73C 109.5 . . ?
H73A C73 H73B 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
N2 C147 C61 121(2) . . ?
N2 C147 H147 119.4 . . ?
C61 C147 H147 119.4 . . ?
N2 C37 H37 117.8 . . ?
C105 C37 N2 124.4(19) . . ?
C105 C37 H37 117.8 . . ?
C70 C149 H14A 109.5 . . ?
C70 C149 H14B 109.5 . . ?
C70 C149 H14C 109.5 . . ?
H14A C149 H14B 109.5 . . ?
H14A C149 H14C 109.5 . . ?
H14B C149 H14C 109.5 . . ?
C111 C75 C127 112.8(17) . . ?
C111 C75 H75 123.6 . . ?
C127 C75 H75 123.6 . . ?
H15A C151 H15B 109.5 . . ?
H15A C151 H15C 109.5 . . ?
H15B C151 H15C 109.5 . . ?
C21 C151 H15A 109.5 . . ?
C21 C151 H15B 109.5 . . ?
C21 C151 H15C 109.5 . . ?
C153 C19 C157 120.0 . . ?
O7 C19 C153 120.3(15) . . ?
O7 C19 C157 119.7(15) . . ?
O25 C153 C19 116.6(16) . . ?
O25 C153 C77 123.4(16) . . ?
C77 C153 C19 120.0 . . ?
C153 C77 H77 120.0 . . ?
C153 C77 C155 120.0 . . ?
C155 C77 H77 120.0 . . ?
C39 C155 C77 120.0 . . ?
O15 C155 C77 129.1(11) . . ?
O15 C155 C39 110.8(11) . . ?
C155 C39 C157 120.0 . . ?
O39 C39 C155 109.0(12) . . ?
O39 C39 C157 130.9(12) . . ?
C19 C157 H157 120.0 . . ?
C39 C157 C19 120.0 . . ?
C39 C157 H157 120.0 . . ?
C141 C79 H79A 109.5 . . ?
C141 C79 H79B 109.5 . . ?
C141 C79 H79C 109.5 . . ?
H79A C79 H79B 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C198 C159 H15M 109.5 . . ?
C198 C159 H15N 109.5 . . ?
C198 C159 H15O 109.5 . . ?
H15M C159 H15N 109.5 . . ?
H15M C159 H15O 109.5 . . ?
H15N C159 H15O 109.5 . . ?
C59 C5 H5A 109.5 . . ?
C59 C5 H5B 109.5 . . ?
C59 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C19 O7 Rh3 109.9(15) . . ?
C120 C161 H16G 109.5 . . ?
C120 C161 H16H 109.5 . . ?
C120 C161 H16I 109.5 . . ?
H16G C161 H16H 109.5 . . ?
H16G C161 H16I 109.5 . . ?
H16H C161 H16I 109.5 . . ?
C115 C81 H81A 109.5 . . ?
C115 C81 H81B 109.5 . . ?
C115 C81 H81C 109.5 . . ?
H81A C81 H81B 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C155 O15 Rh7 109.9(10) . . ?
C155 O15 Rh9 137.5(12) . . ?
C128 C163 H16J 109.5 . . ?
C128 C163 H16K 109.5 . . ?
C128 C163 H16L 109.5 . . ?
H16J C163 H16K 109.5 . . ?
H16J C163 H16L 109.5 . . ?
H16K C163 H16L 109.5 . . ?
C165 C41 Rh5 72.2(6) . . ?
C165 C41 C93 125.0(16) . . ?
C21 C41 Rh5 70.6(6) . . ?
C21 C41 C165 108.0 . . ?
C21 C41 C93 126.9(16) . . ?
C93 C41 Rh5 119.3(14) . . ?
C2 C165 Rh5 133.1(16) . . ?
C41 C165 Rh5 68.8(6) . . ?
C41 C165 C2 125.2(17) . . ?
C83 C165 Rh5 72.2(6) . . ?
C83 C165 C2 125.9(17) . . ?
C83 C165 C41 108.0 . . ?
C165 C83 Rh5 69.6(6) . . ?
C165 C83 C167 108.0 . . ?
C165 C83 C171 128.1(15) . . ?
C167 C83 Rh5 70.1(5) . . ?
C167 C83 C171 123.6(15) . . ?
C171 C83 Rh5 120.9(13) . . ?
C83 C167 Rh5 71.8(5) . . ?
C83 C167 C101 132.7(16) . . ?
C21 C167 Rh5 68.7(6) . . ?
C21 C167 C83 108.0 . . ?
C21 C167 C101 119.3(16) . . ?
C101 C167 Rh5 122.1(14) . . ?
C151 C21 Rh5 127.3(13) . . ?
C41 C21 Rh5 70.1(6) . . ?
C41 C21 C151 123.2(16) . . ?
C41 C21 C167 108.0 . . ?
C167 C21 Rh5 72.5(6) . . ?
C167 C21 C151 128.6(16) . . ?
C145 C169 H16M 109.5 . . ?
C145 C169 H16N 109.5 . . ?
C145 C169 H16O 109.5 . . ?
H16M C169 H16N 109.5 . . ?
H16M C169 H16O 109.5 . . ?
H16N C169 H16O 109.5 . . ?
H85A C85 H85B 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C183 C85 H85A 109.5 . . ?
C183 C85 H85B 109.5 . . ?
C183 C85 H85C 109.5 . . ?
C83 C171 H17A 109.5 . . ?
C83 C171 H17B 109.5 . . ?
C83 C171 H17C 109.5 . . ?
H17A C171 H17B 109.5 . . ?
H17A C171 H17C 109.5 . . ?
H17B C171 H17C 109.5 . . ?
C200 C43 H43A 109.5 . . ?
C200 C43 H43B 109.5 . . ?
C200 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C173 N7 Rh3 119.8(9) . . ?
C173 N7 C177 120.0 . . ?
C177 N7 Rh3 120.0(9) . . ?
N7 C173 H173 120.0 . . ?
C87 C173 N7 120.0 . . ?
C87 C173 H173 120.0 . . ?
C173 C87 H87 120.0 . . ?
C173 C87 C175 120.0 . . ?
C175 C87 H87 120.0 . . ?
C11 C175 C87 120.0 . . ?
C201 C175 C87 114.7(16) . . ?
C201 C175 C11 125.1(16) . . ?
C175 C11 H11 120.0 . . ?
C177 C11 C175 120.0 . . ?
C177 C11 H11 120.0 . . ?
N7 C177 H177 120.0 . . ?
C11 C177 N7 120.0 . . ?
C11 C177 H177 120.0 . . ?
C201 C89 C139 172(3) . . ?
C35 C179 H17D 109.5 . . ?
C35 C179 H17E 109.5 . . ?
C35 C179 H17F 109.5 . . ?
H17D C179 H17E 109.5 . . ?
H17D C179 H17F 109.5 . . ?
H17E C179 H17F 109.5 . . ?
F20 C45 S6 116(2) . . ?
F20 C45 F22 104(2) . . ?
F20 C45 F3 113(2) . . ?
F22 C45 S6 113.4(19) . . ?
F3 C45 S6 108.1(19) . . ?
F3 C45 F22 101(2) . . ?
C91 C181 Rh3 74.4(10) . . ?
C91 C181 C185 108.0 . . ?
C91 C181 C103 130.8(14) . . ?
C185 C181 Rh3 75.2(9) . . ?
C185 C181 C103 121.1(14) . . ?
C103 C181 Rh3 118(2) . . ?
C181 C91 Rh3 64.9(9) . . ?
C181 C91 C183 108.0 . . ?
C181 C91 C205 127.7(14) . . ?
C183 C91 Rh3 79.2(10) . . ?
C183 C91 C205 123.0(14) . . ?
C205 C91 Rh3 112.0(18) . . ?
C85 C183 Rh3 124(2) . . ?
C91 C183 Rh3 63.5(9) . . ?
C91 C183 C85 131(2) . . ?
C91 C183 C23 108.0 . . ?
C23 C183 Rh3 72.4(8) . . ?
C23 C183 C85 121(2) . . ?
C183 C23 Rh3 71.7(8) . . ?
C183 C23 C95 129(2) . . ?
C185 C23 Rh3 63.9(9) . . ?
C185 C23 C183 108.0 . . ?
C185 C23 C95 123(2) . . ?
C95 C23 Rh3 132(2) . . ?
C181 C185 Rh3 64.4(9) . . ?
C181 C185 C23 108.0 . . ?
C181 C185 C189 119(2) . . ?
C23 C185 Rh3 79.0(10) . . ?
C23 C185 C189 133(2) . . ?
C189 C185 Rh3 119.3(17) . . ?
C41 C93 H93A 109.5 . . ?
C41 C93 H93B 109.5 . . ?
C41 C93 H93C 109.5 . . ?
H93A C93 H93B 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
C117 C187 H18D 109.5 . . ?
C117 C187 H18E 109.5 . . ?
C117 C187 H18F 109.5 . . ?
H18D C187 H18E 109.5 . . ?
H18D C187 H18F 109.5 . . ?
H18E C187 H18F 109.5 . . ?
C9 C47 H47A 109.5 . . ?
C9 C47 H47B 109.5 . . ?
C9 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C185 C189 H18G 109.5 . . ?
C185 C189 H18H 109.5 . . ?
C185 C189 H18I 109.5 . . ?
H18G C189 H18H 109.5 . . ?
H18G C189 H18I 109.5 . . ?
H18H C189 H18I 109.5 . . ?
C23 C95 H95A 109.5 . . ?
C23 C95 H95B 109.5 . . ?
C23 C95 H95C 109.5 . . ?
H95A C95 H95B 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
F15 C191 S2 111.2(18) . . ?
F15 C191 F17 101.7(18) . . ?
F17 C191 S2 119.6(19) . . ?
F9 C191 S2 123(2) . . ?
F9 C191 F15 100.3(19) . . ?
F9 C191 F17 97.4(18) . . ?
O35 S7 C99 99.4(14) . . ?
O9 S7 O35 114.9(18) . . ?
O9 S7 C99 106.8(15) . . ?
O9 S7 O37 119.2(17) . . ?
O37 S7 O35 108.8(16) . . ?
O37 S7 C99 105.3(16) . . ?
F24 C3 S3 118.7(19) . . ?
F24 C3 F7 103(2) . . ?
F24 C3 F23 102.3(19) . . ?
F7 C3 S3 111.9(18) . . ?
F23 C3 S3 114.5(19) . . ?
F23 C3 F7 105(2) . . ?
C29 C193 H19A 109.5 . . ?
C29 C193 H19B 109.5 . . ?
C29 C193 H19C 109.5 . . ?
H19A C193 H19B 109.5 . . ?
H19A C193 H19C 109.5 . . ?
H19B C193 H19C 109.5 . . ?
C57 C97 H97A 109.5 . . ?
C57 C97 H97B 109.5 . . ?
C57 C97 H97C 109.5 . . ?
H97A C97 H97B 109.5 . . ?
H97A C97 H97C 109.5 . . ?
H97B C97 H97C 109.5 . . ?
C135 C195 H19D 109.5 . . ?
C135 C195 H19E 109.5 . . ?
C135 C195 H19F 109.5 . . ?
H19D C195 H19E 109.5 . . ?
H19D C195 H19F 109.5 . . ?
H19E C195 H19F 109.5 . . ?
C67 C49 H49A 109.5 . . ?
C67 C49 H49B 109.5 . . ?
C67 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
F13 C197 S5 116.1(17) . . ?
F13 C197 F11 96.8(17) . . ?
F2 C197 S5 119.3(17) . . ?
F2 C197 F13 98.5(17) . . ?
F2 C197 F11 107.8(17) . . ?
F11 C197 S5 114.9(15) . . ?
F19 C99 S7 111.6(18) . . ?
F5 C99 S7 113.3(19) . . ?
F5 C99 F19 107(2) . . ?
F21 C99 S7 117.9(19) . . ?
F21 C99 F19 106(2) . . ?
F21 C99 F5 100(2) . . ?
F14 C199 S8 104.7(15) . . ?
F16 C199 S8 109.7(16) . . ?
F16 C199 F14 109.2(18) . . ?
F18 C199 S8 112.8(15) . . ?
F18 C199 F14 122(2) . . ?
F18 C199 F16 98.6(19) . . ?
C39 O39 Rh7 140.9(13) . . ?
C39 O39 Rh9 115.1(11) . . ?
F6 C25 S1 113.1(12) . . ?
F6 C25 F8 102.8(14) . . ?
F8 C25 S1 114.4(11) . . ?
F12 C25 S1 117.6(13) . . ?
F12 C25 F6 103.2(14) . . ?
F12 C25 F8 104.0(14) . . ?
C89 C201 C175 165(3) . . ?
C167 C101 H10A 109.5 . . ?
C167 C101 H10B 109.5 . . ?
C167 C101 H10C 109.5 . . ?
H10A C101 H10B 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
Rh7 C203 H20A 102.6 . . ?
Rh7 C203 H20B 69.2 . . ?
Rh7 C203 H20C 145.8 . . ?
C17 C203 Rh7 46.4(11) . . ?
C17 C203 H20A 109.5 . . ?
C17 C203 H20B 109.5 . . ?
C17 C203 H20C 109.5 . . ?
H20A C203 H20B 109.5 . . ?
H20A C203 H20C 109.5 . . ?
H20B C203 H20C 109.5 . . ?
C137 C51 H51A 109.5 . . ?
C137 C51 H51B 109.5 . . ?
C137 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C91 C205 H20D 109.5 . . ?
C91 C205 H20E 109.5 . . ?
C91 C205 H20F 109.5 . . ?
H20D C205 H20E 109.5 . . ?
H20D C205 H20F 109.5 . . ?
H20E C205 H20F 109.5 . . ?
C181 C103 H10D 109.5 . . ?
C181 C103 H10E 109.5 . . ?
C181 C103 H10F 109.5 . . ?
H10D C103 H10E 109.5 . . ?
H10D C103 H10F 109.5 . . ?
H10E C103 H10F 109.5 . . ?
C69 C207 H20G 109.5 . . ?
C69 C207 H20H 109.5 . . ?
C69 C207 H20I 109.5 . . ?
H20G C207 H20H 109.5 . . ?
H20G C207 H20I 109.5 . . ?
H20H C207 H20I 109.5 . . ?
N3 Rh9 C135 165.3(7) . . ?
N3 Rh9 C17 130.9(7) . . ?
N3 Rh9 C137 101.6(6) . . ?
N3 Rh9 O39 76.2(7) . . ?
C67 Rh9 N3 132.3(7) . . ?
C67 Rh9 C135 42.7(3) . . ?
C67 Rh9 C17 66.1(3) . . ?
C67 Rh9 C137 67.6(3) . . ?
C67 Rh9 C69 44.5(3) . . ?
C67 Rh9 O39 149.0(7) . . ?
C135 Rh9 C17 37.0(2) . . ?
C135 Rh9 C137 63.7(3) . . ?
C135 Rh9 O39 106.5(7) . . ?
C17 Rh9 O39 86.0(6) . . ?
C137 Rh9 C17 35.77(18) . . ?
C137 Rh9 O39 98.2(6) . . ?
C69 Rh9 N3 97.6(6) . . ?
C69 Rh9 C135 70.0(3) . . ?
C69 Rh9 C17 64.1(3) . . ?
C69 Rh9 C137 38.2(2) . . ?
C69 Rh9 O39 134.7(7) . . ?
O15 Rh9 N3 91.0(8) . . ?
O15 Rh9 C67 116.8(8) . . ?
O15 Rh9 C135 103.4(8) . . ?
O15 Rh9 C17 123.2(8) . . ?
O15 Rh9 C137 157.4(8) . . ?
O15 Rh9 C69 158.5(8) . . ?
O15 Rh9 O39 66.5(6) . . ?

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
Rh1 O6 C26 C28 -7.3(12) . . . . ?
Rh1 O6 C26 C44 176.9(9) . . . . ?
Rh1 O10 C28 C8 -176.0(9) . . . . ?
Rh1 O10 C28 C26 0.7(13) . . . . ?
Rh1 N8 C122 C150 175.1(10) . . . . ?
Rh1 N8 C123 C186 -174.8(11) . . . . ?
Rh1 C12 C32 C18 -61.2(9) . . . . ?
Rh1 C12 C32 C160 119.6(11) . . . . ?
Rh1 C12 C140 C96 59.7(9) . . . . ?
Rh1 C12 C140 C152 -123.9(13) . . . . ?
Rh1 C18 C32 C12 60.5(9) . . . . ?
Rh1 C18 C32 C160 -120.3(12) . . . . ?
Rh1 C18 C96 C140 -61.7(10) . . . . ?
Rh1 C18 C96 C63 119.1(15) . . . . ?
Rh1 C96 C140 C12 -60.0(8) . . . . ?
Rh1 C96 C140 C152 124.0(16) . . . . ?
Rh4 O1 C108 C66 179.6(10) . . . . ?
Rh4 O1 C108 C80 -2.0(13) . . . . ?
Rh4 O18 C80 C24 179.1(10) . . . . ?
Rh4 O18 C80 C108 0.2(13) . . . . ?
Rh4 N6 C60 C168 -173.4(10) . . . . ?
Rh4 N6 C162 C30 169.7(12) . . . . ?
Rh4 C94 C102 C130 120.5(16) . . . . ?
Rh4 C94 C102 C200 -59.3(11) . . . . ?
Rh4 C94 C109 C158 -126.3(14) . . . . ?
Rh4 C94 C109 C145 63.7(9) . . . . ?
Rh4 C102 C200 C145 -65.2(10) . . . . ?
Rh4 C102 C200 C43 120.9(17) . . . . ?
Rh4 C200 C145 C109 -57.3(10) . . . . ?
Rh4 C200 C145 C169 114.2(15) . . . . ?
Rh4 C109 C145 C200 57.1(10) . . . . ?
Rh4 C109 C145 C169 -114.8(14) . . . . ?
Rh6 O4 C1 C8 179.2(10) . . . . ?
Rh6 O4 C1 C22 -5.0(13) . . . . ?
Rh6 N4 C10 C116 -171.1(11) . . . . ?
Rh6 N4 C58 C42 168.4(10) . . . . ?
Rh6 O16 C22 C1 -3.3(13) . . . . ?
Rh6 O16 C22 C44 -179.2(9) . . . . ?
Rh6 C92 C112 C104 -64.0(9) . . . . ?
Rh6 C92 C112 C129 125.8(16) . . . . ?
Rh6 C92 C126 C120 57.6(10) . . . . ?
Rh6 C92 C126 C73 -119.3(17) . . . . ?
Rh6 C104 C112 C92 64.0(9) . . . . ?
Rh6 C104 C112 C129 -125.8(16) . . . . ?
Rh6 C104 C120 C126 -63.7(9) . . . . ?
Rh6 C104 C120 C161 123.5(17) . . . . ?
Rh6 C120 C126 C92 -59.9(10) . . . . ?
Rh6 C120 C126 C73 117.4(13) . . . . ?
Rh8 O8 C54 C66 -178.4(9) . . . . ?
Rh8 O8 C54 C118 3.3(13) . . . . ?
Rh8 O12 C118 C24 178.6(10) . . . . ?
Rh8 O12 C118 C54 -4.1(13) . . . . ?
Rh8 N1 C16 C100 177.4(11) . . . . ?
Rh8 N1 C136 C154 -176.6(12) . . . . ?
Rh8 C36 C148 C146 62.1(9) . . . . ?
Rh8 C36 C148 C208 -122.5(16) . . . . ?
Rh8 C36 C180 C128 -61.8(10) . . . . ?
Rh8 C36 C180 C204 112.9(16) . . . . ?
Rh8 C128 C146 C148 -61.8(9) . . . . ?
Rh8 C128 C146 C121 116.1(13) . . . . ?
Rh8 C128 C180 C36 62.0(10) . . . . ?
Rh8 C128 C180 C204 -113.2(14) . . . . ?
Rh8 C146 C148 C36 -61.2(9) . . . . ?
Rh8 C146 C148 C208 123.0(14) . . . . ?
Rh2 O20 C114 C166 174.2(12) . . . . ?
Rh2 O20 C114 C111 2.2(19) . . . . ?
Rh2 N5 C82 C84 -179.5(8) . . . . ?
Rh2 N5 C90 C88 179.5(8) . . . . ?
Rh2 O36 C111 C114 6.4(19) . . . . ?
Rh2 O36 C111 C75 -178.3(14) . . . . ?
Rh2 C57 C115 C29 60.7(6) . . . . ?
Rh2 C57 C115 C81 -118.0(16) . . . . ?
Rh2 C57 C59 C117 -58.4(6) . . . . ?
Rh2 C57 C59 C5 120.4(19) . . . . ?
Rh2 C115 C29 C117 63.8(6) . . . . ?
Rh2 C115 C29 C193 -107(2) . . . . ?
Rh2 C29 C117 C59 63.4(6) . . . . ?
Rh2 C29 C117 C187 -116(2) . . . . ?
Rh2 C117 C59 C57 60.0(6) . . . . ?
Rh2 C117 C59 C5 -118.9(18) . . . . ?
Rh5 O14 C144 C166 177.4(12) . . . . ?
Rh5 O14 C144 C127 4(2) . . . . ?
Rh5 O24 C127 C144 1(2) . . . . ?
Rh5 O24 C127 C75 177.6(12) . . . . ?
Rh5 N2 C147 C61 -174.5(17) . . . . ?
Rh5 N2 C37 C105 175.6(13) . . . . ?
Rh5 C41 C165 C2 129(2) . . . . ?
Rh5 C41 C165 C83 -61.9(6) . . . . ?
Rh5 C41 C21 C151 -122.2(16) . . . . ?
Rh5 C41 C21 C167 63.0(6) . . . . ?
Rh5 C165 C83 C167 -59.8(5) . . . . ?
Rh5 C165 C83 C171 113.9(18) . . . . ?
Rh5 C83 C167 C21 -59.5(6) . . . . ?
Rh5 C83 C167 C101 117(2) . . . . ?
Rh5 C167 C21 C151 124.1(18) . . . . ?
Rh5 C167 C21 C41 -61.4(5) . . . . ?
Rh3 O25 C153 C19 -6.2(19) . . . . ?
Rh3 O25 C153 C77 175.2(10) . . . . ?
Rh3 N7 C173 C87 -174.6(11) . . . . ?
Rh3 N7 C177 C11 174.6(11) . . . . ?
Rh3 C181 C91 C183 -68.3(10) . . . . ?
Rh3 C181 C91 C205 99(2) . . . . ?
Rh3 C181 C185 C23 67.8(10) . . . . ?
Rh3 C181 C185 C189 -110.7(19) . . . . ?
Rh3 C91 C183 C85 114(3) . . . . ?
Rh3 C91 C183 C23 -58.9(9) . . . . ?
Rh3 C183 C23 C185 -53.6(9) . . . . ?
Rh3 C183 C23 C95 130(3) . . . . ?
Rh3 C23 C185 C181 -58.3(8) . . . . ?
Rh3 C23 C185 C189 120(3) . . . . ?
Rh7 N3 C170 C172 -178.6(9) . . . . ?
Rh7 N3 C178 C176 177.8(14) . . . . ?
Rh7 C67 C135 C17 -49.7(5) . . . . ?
Rh7 C67 C135 C195 117(2) . . . . ?
Rh7 C67 C69 C137 47.3(5) . . . . ?
Rh7 C67 C69 C207 -157(2) . . . . ?
Rh7 C135 C17 C137 -68.6(6) . . . . ?
Rh7 C135 C17 C203 96(2) . . . . ?
Rh7 C17 C137 C69 -79.5(6) . . . . ?
Rh7 C17 C137 C51 97(2) . . . . ?
Rh7 C137 C69 C67 -62.8(5) . . . . ?
Rh7 C137 C69 C207 141(2) . . . . ?
O4 C1 C8 C28 173.0(11) . . . . ?
O4 C1 C22 O16 5.6(16) . . . . ?
O4 C1 C22 C44 -178.2(11) . . . . ?
O6 C26 C28 O10 4.5(15) . . . . ?
O6 C26 C28 C8 -178.8(10) . . . . ?
O6 C26 C44 C22 173.3(11) . . . . ?
O8 C54 C66 C108 -178.4(11) . . . . ?
O8 C54 C118 O12 0.4(16) . . . . ?
O8 C54 C118 C24 177.9(11) . . . . ?
N1 C16 C100 C196 -5(2) . . . . ?
N1 C136 C154 C196 3(2) . . . . ?
N4 C10 C116 C124 -3(2) . . . . ?
O14 C144 C166 C114 -172.3(15) . . . . ?
O14 C144 C127 O24 -3(3) . . . . ?
O14 C144 C127 C75 -179.6(16) . . . . ?
O16 C22 C44 C26 -179.4(11) . . . . ?
O18 C80 C108 O1 1.2(16) . . . . ?
O18 C80 C108 C66 179.7(11) . . . . ?
N6 C60 C168 C4 5(2) . . . . ?
C1 C8 C28 O10 -178.5(11) . . . . ?
C1 C8 C28 C26 5.0(17) . . . . ?
C1 C22 C44 C26 4.7(17) . . . . ?
N8 C122 C150 C106 5(2) . . . . ?
C4 C30 C162 N6 2(2) . . . . ?
C6 C46 C48 C156 3(2) . . . . ?
C6 C46 C48 C194 179.6(13) . . . . ?
C6 C46 C198 C40 -179.0(12) . . . . ?
C6 C46 C198 C159 0.6(18) . . . . ?
C8 C1 C22 O16 -178.5(11) . . . . ?
C8 C1 C22 C44 -2.3(17) . . . . ?
C10 N4 C58 C42 -4.8(19) . . . . ?
C10 C116 C124 C42 4.5(19) . . . . ?
C10 C116 C124 C56 177.7(13) . . . . ?
C14 C52 C62 C34 2(2) . . . . ?
C14 C52 C62 C53 177.2(14) . . . . ?
O20 C114 C166 C144 -179.4(16) . . . . ?
O20 C114 C111 O36 -6(2) . . . . ?
O20 C114 C111 C75 179.0(17) . . . . ?
C16 N1 C136 C154 -1(2) . . . . ?
C16 C100 C196 C154 7(3) . . . . ?
C16 C100 C196 C15 -175.9(15) . . . . ?
C18 C96 C140 Rh1 61.3(10) . . . . ?
C18 C96 C140 C12 1.3(15) . . . . ?
C18 C96 C140 C152 -174.7(14) . . . . ?
O22 S1 C25 F6 -60.3(14) . . . . ?
O22 S1 C25 F8 56.9(15) . . . . ?
O22 S1 C25 F12 179.5(14) . . . . ?
C20 C34 C62 C52 2(2) . . . . ?
C20 C34 C62 C53 -173.6(14) . . . . ?
C22 C1 C8 C28 -2.5(18) . . . . ?
C24 C80 C108 O1 -177.7(12) . . . . ?
C24 C80 C108 C66 0.8(19) . . . . ?
C28 C26 C44 C22 -2.3(17) . . . . ?
C30 C4 C168 C60 -6(2) . . . . ?
C32 C12 C140 Rh1 -60.6(8) . . . . ?
C32 C12 C140 C96 -0.9(14) . . . . ?
C32 C12 C140 C152 175.5(13) . . . . ?
C32 C18 C96 Rh1 60.4(9) . . . . ?
C32 C18 C96 C140 -1.2(15) . . . . ?
C32 C18 C96 C63 179.5(14) . . . . ?
C34 C20 C64 C14 1.8(19) . . . . ?
C34 C20 C64 C107 179.8(12) . . . . ?
O24 C127 C75 C111 176.1(17) . . . . ?
C38 C76 C78 C68 179.9(12) . . . . ?
C38 C76 C78 C33 -1.7(13) . . . . ?
C40 C110 C194 C48 2.0(19) . . . . ?
C40 C110 C194 C206 -177.1(13) . . . . ?
C44 C26 C28 O10 -179.5(11) . . . . ?
C44 C26 C28 C8 -2.8(17) . . . . ?
C46 C48 C194 C110 -0.9(19) . . . . ?
C46 C48 C194 C206 178.1(14) . . . . ?
C48 C46 C198 C40 1.2(18) . . . . ?
C48 C46 C198 C159 -179.2(12) . . . . ?
C50 C4 C30 C162 176.9(14) . . . . ?
C50 C4 C168 C60 -179.9(13) . . . . ?
C52 C14 C64 C20 2(2) . . . . ?
C52 C14 C64 C107 -175.6(13) . . . . ?
C54 C66 C108 O1 178.3(11) . . . . ?
C54 C66 C108 C80 -0.1(17) . . . . ?
C58 N4 C10 C116 2(2) . . . . ?
C58 C42 C124 C56 -179.5(14) . . . . ?
C58 C42 C124 C116 -7.0(19) . . . . ?
C60 N6 C162 C30 -3(2) . . . . ?
C64 C14 C52 C62 -5(2) . . . . ?
C64 C14 C52 C31 -179.6(15) . . . . ?
C64 C20 C34 C62 -4(2) . . . . ?
C64 C20 C34 C190 178.7(12) . . . . ?
C66 C54 C118 O12 -177.9(10) . . . . ?
C66 C54 C118 C24 -0.4(17) . . . . ?
C68 C70 C72 C74 0.0 . . . . ?
C68 C70 C72 C182 -177.1(12) . . . . ?
C70 C68 C78 C76 0.0 . . . . ?
C70 C68 C78 C33 -178.4(11) . . . . ?
C70 C72 C74 C76 0.0 . . . . ?
C70 C72 C74 C184 176.5(12) . . . . ?
C72 C74 C76 C38 -179.9(11) . . . . ?
C72 C74 C76 C78 0.0 . . . . ?
C74 C76 C78 C68 0.0 . . . . ?
C74 C76 C78 C33 178.4(11) . . . . ?
C78 C68 C70 C72 0.0 . . . . ?
C78 C68 C70 C149 179.7(12) . . . . ?
C80 C24 C118 O12 178.4(12) . . . . ?
C80 C24 C118 C54 1.1(19) . . . . ?
N5 C82 C84 C86 0.0 . . . . ?
C82 N5 C90 C88 0.0 . . . . ?
C82 C84 C86 C88 0.0 . . . . ?
C82 C84 C86 C13 179.0(13) . . . . ?
C84 C86 C88 C90 0.0 . . . . ?
C86 C88 C90 N5 0.0 . . . . ?
C90 N5 C82 C84 0.0 . . . . ?
O26 S1 C25 F6 63.2(14) . . . . ?
O26 S1 C25 F8 -179.6(13) . . . . ?
O26 S1 C25 F12 -57.1(16) . . . . ?
O28 S6 C45 F20 177(2) . . . . ?
O28 S6 C45 F22 57(2) . . . . ?
O28 S6 C45 F3 -54(2) . . . . ?
C94 C102 C200 Rh4 61.7(11) . . . . ?
C94 C102 C200 C145 -3.6(17) . . . . ?
C94 C102 C200 C43 -177.4(15) . . . . ?
C94 C109 C145 Rh4 -64.5(9) . . . . ?
C94 C109 C145 C200 -7.4(16) . . . . ?
C94 C109 C145 C169 -179.4(14) . . . . ?
C96 C18 C32 Rh1 -59.9(9) . . . . ?
C96 C18 C32 C12 0.7(15) . . . . ?
C96 C18 C32 C160 179.8(11) . . . . ?
C98 C105 C37 N2 -2(3) . . . . ?
C98 C61 C147 N2 -2(4) . . . . ?
C102 C94 C109 Rh4 -58.7(10) . . . . ?
C102 C94 C109 C158 174.9(14) . . . . ?
C102 C94 C109 C145 5.0(15) . . . . ?
C102 C200 C145 Rh4 64.1(10) . . . . ?
C102 C200 C145 C109 6.8(16) . . . . ?
C102 C200 C145 C169 178.4(15) . . . . ?
C104 C120 C126 Rh6 63.2(9) . . . . ?
C104 C120 C126 C92 3.3(15) . . . . ?
C104 C120 C126 C73 -179.4(13) . . . . ?
C106 C186 C123 N8 -5(2) . . . . ?
C110 C40 C198 C46 -0.2(19) . . . . ?
C110 C40 C198 C159 -179.7(13) . . . . ?
C112 C92 C126 Rh6 -57.4(9) . . . . ?
C112 C92 C126 C120 0.1(16) . . . . ?
C112 C92 C126 C73 -176.7(15) . . . . ?
C112 C104 C120 Rh6 58.1(10) . . . . ?
C112 C104 C120 C126 -5.6(15) . . . . ?
C112 C104 C120 C161 -178.4(16) . . . . ?
C114 C111 C75 C127 1(3) . . . . ?
C118 C24 C80 O18 179.8(12) . . . . ?
C118 C24 C80 C108 -1.3(19) . . . . ?
C118 C54 C66 C108 -0.1(17) . . . . ?
C120 C104 C112 Rh6 -58.3(10) . . . . ?
C120 C104 C112 C92 5.7(15) . . . . ?
C120 C104 C112 C129 175.9(15) . . . . ?
C122 N8 C123 C186 4(2) . . . . ?
O30 S4 C188 F1 178.2(15) . . . . ?
O30 S4 C188 F4 58.0(14) . . . . ?
O30 S4 C188 F10 -56.6(15) . . . . ?
C124 C42 C58 N4 7(2) . . . . ?
C126 C92 C112 Rh6 60.4(10) . . . . ?
C126 C92 C112 C104 -3.6(16) . . . . ?
C126 C92 C112 C129 -173.9(15) . . . . ?
C128 C146 C148 Rh8 60.6(9) . . . . ?
C128 C146 C148 C36 -0.6(15) . . . . ?
C128 C146 C148 C208 -176.4(13) . . . . ?
C130 C102 C200 Rh4 -118.2(15) . . . . ?
C130 C102 C200 C145 176.5(14) . . . . ?
C130 C102 C200 C43 3(2) . . . . ?
O32 S4 C188 F1 -59.3(17) . . . . ?
O32 S4 C188 F4 -179.5(13) . . . . ?
O32 S4 C188 F10 65.8(15) . . . . ?
C132 C20 C34 C62 177.6(13) . . . . ?
C132 C20 C34 C190 0(2) . . . . ?
C132 C20 C64 C14 -179.5(12) . . . . ?
C132 C20 C64 C107 -1.5(19) . . . . ?
C134 C106 C150 C122 179.8(14) . . . . ?
C134 C106 C186 C123 179.5(13) . . . . ?
C136 N1 C16 C100 2(2) . . . . ?
C136 C154 C196 C100 -6(2) . . . . ?
C136 C154 C196 C15 177.1(14) . . . . ?
C138 C104 C112 Rh6 118.2(14) . . . . ?
C138 C104 C112 C92 -177.8(13) . . . . ?
C138 C104 C112 C129 -8(2) . . . . ?
C138 C104 C120 Rh6 -118.3(14) . . . . ?
C138 C104 C120 C126 178.0(13) . . . . ?
C138 C104 C120 C161 5(3) . . . . ?
C140 C12 C32 Rh1 61.3(9) . . . . ?
C140 C12 C32 C18 0.2(14) . . . . ?
C140 C12 C32 C160 -179.1(10) . . . . ?
C142 C98 C105 C37 -176.9(17) . . . . ?
C142 C98 C61 C147 178(2) . . . . ?
C144 C127 C75 C111 -8(3) . . . . ?
O34 S1 C25 F6 178.5(13) . . . . ?
O34 S1 C25 F8 -64.3(15) . . . . ?
O34 S1 C25 F12 58.2(16) . . . . ?
C146 C128 C180 Rh8 -60.7(10) . . . . ?
C146 C128 C180 C36 1.3(16) . . . . ?
C146 C128 C180 C204 -173.8(13) . . . . ?
C148 C36 C180 Rh8 60.0(11) . . . . ?
C148 C36 C180 C128 -1.8(17) . . . . ?
C148 C36 C180 C204 172.9(14) . . . . ?
C150 C106 C186 C123 5(2) . . . . ?
C156 C48 C194 C110 176.1(12) . . . . ?
C156 C48 C194 C206 -5(2) . . . . ?
C158 C109 C145 Rh4 126.7(16) . . . . ?
C158 C109 C145 C200 -176.3(15) . . . . ?
C158 C109 C145 C169 12(2) . . . . ?
O36 C111 C75 C127 -173.7(16) . . . . ?
O38 S8 C199 F14 82.4(17) . . . . ?
O38 S8 C199 F16 -160.5(17) . . . . ?
O38 S8 C199 F18 -52(2) . . . . ?
O40 S6 C45 F20 -60(2) . . . . ?
O40 S6 C45 F22 179.3(19) . . . . ?
O40 S6 C45 F3 68(2) . . . . ?
O5 S5 C197 F13 70(2) . . . . ?
O5 S5 C197 F2 -48(2) . . . . ?
O5 S5 C197 F11 -178.0(19) . . . . ?
C162 N6 C60 C168 -0.6(19) . . . . ?
C164 C40 C110 C194 179.3(12) . . . . ?
C164 C40 C110 C27 1.2(19) . . . . ?
C164 C40 C198 C46 179.1(12) . . . . ?
C164 C40 C198 C159 0(2) . . . . ?
C166 C114 C111 O36 -177.8(16) . . . . ?
C166 C114 C111 C75 7(3) . . . . ?
C166 C144 C127 O24 -176.8(16) . . . . ?
C166 C144 C127 C75 7(3) . . . . ?
C168 C4 C30 C162 2(2) . . . . ?
N3 Rh7 C17 C135 -79.4(14) . . . . ?
N3 Rh7 C17 C137 31.1(13) . . . . ?
N3 Rh7 C17 C203 151.9(16) . . . . ?
N3 Rh7 O39 C39 82(3) . . . . ?
N3 C170 C172 C174 0.0 . . . . ?
C170 N3 C178 C176 0.0 . . . . ?
C170 C172 C174 C176 0.0 . . . . ?
C170 C172 C174 C125 177.9(16) . . . . ?
C172 C174 C176 C178 0.0 . . . . ?
C174 C176 C178 N3 0.0 . . . . ?
C178 N3 C170 C172 0.0 . . . . ?
C180 C36 C148 Rh8 -60.5(11) . . . . ?
C180 C36 C148 C146 1.5(17) . . . . ?
C180 C36 C148 C208 176.9(15) . . . . ?
C180 C128 C146 Rh8 61.4(10) . . . . ?
C180 C128 C146 C148 -0.4(16) . . . . ?
C180 C128 C146 C121 177.4(13) . . . . ?
C182 C72 C74 C76 177.1(12) . . . . ?
C182 C72 C74 C184 -6.4(14) . . . . ?
C184 C74 C76 C38 3.7(13) . . . . ?
C184 C74 C76 C78 -176.4(12) . . . . ?
C186 C106 C150 C122 -6(2) . . . . ?
C190 C34 C62 C52 179.0(13) . . . . ?
C190 C34 C62 C53 3.8(19) . . . . ?
C192 C94 C102 Rh4 -122.4(17) . . . . ?
C192 C94 C102 C130 -2(3) . . . . ?
C192 C94 C102 C200 178.3(16) . . . . ?
C192 C94 C109 Rh4 121.9(14) . . . . ?
C192 C94 C109 C158 -4(2) . . . . ?
C192 C94 C109 C145 -174.4(13) . . . . ?
C198 C40 C110 C194 -1(2) . . . . ?
C198 C40 C110 C27 -179.5(13) . . . . ?
C198 C46 C48 C156 -177.5(13) . . . . ?
C198 C46 C48 C194 -0.6(19) . . . . ?
C202 C18 C32 Rh1 122.6(14) . . . . ?
C202 C18 C32 C12 -176.9(13) . . . . ?
C202 C18 C32 C160 2(2) . . . . ?
C202 C18 C96 Rh1 -122.1(15) . . . . ?
C202 C18 C96 C140 176.2(13) . . . . ?
C202 C18 C96 C63 -3(2) . . . . ?
C13 C86 C88 C90 -178.9(13) . . . . ?
C105 C98 C61 C147 2(3) . . . . ?
C27 C110 C194 C48 -179.9(12) . . . . ?
C27 C110 C194 C206 1.1(19) . . . . ?
C109 C94 C102 Rh4 58.3(9) . . . . ?
C109 C94 C102 C130 178.8(15) . . . . ?
C109 C94 C102 C200 -1.0(16) . . . . ?
C55 C36 C148 Rh8 117.1(15) . . . . ?
C55 C36 C148 C146 179.2(14) . . . . ?
C55 C36 C148 C208 -5(2) . . . . ?
C55 C36 C180 Rh8 -117.7(14) . . . . ?
C55 C36 C180 C128 -179.5(13) . . . . ?
C55 C36 C180 C204 -5(2) . . . . ?
C111 C114 C166 C144 -8(2) . . . . ?
C7 C14 C52 C62 176.9(12) . . . . ?
C7 C14 C52 C31 2(2) . . . . ?
C7 C14 C64 C20 -179.1(12) . . . . ?
C7 C14 C64 C107 2.9(19) . . . . ?
O21 S5 C197 F13 -52(2) . . . . ?
O21 S5 C197 F2 -170(2) . . . . ?
O21 S5 C197 F11 60(2) . . . . ?
C113 C12 C32 Rh1 -125.5(14) . . . . ?
C113 C12 C32 C18 173.4(13) . . . . ?
C113 C12 C32 C160 -6(2) . . . . ?
C113 C12 C140 Rh1 125.8(13) . . . . ?
C113 C12 C140 C96 -174.5(13) . . . . ?
C113 C12 C140 C152 2(2) . . . . ?
C57 C115 C29 Rh2 -63.8(6) . . . . ?
C57 C115 C29 C117 0.0 . . . . ?
C57 C115 C29 C193 -171(2) . . . . ?
C115 C57 C59 Rh2 58.4(6) . . . . ?
C115 C57 C59 C117 0.0 . . . . ?
C115 C57 C59 C5 179(2) . . . . ?
C115 C29 C117 Rh2 -63.4(6) . . . . ?
C115 C29 C117 C59 0.0 . . . . ?
C115 C29 C117 C187 -180(2) . . . . ?
C29 C117 C59 Rh2 -60.0(6) . . . . ?
C29 C117 C59 C57 0.0 . . . . ?
C29 C117 C59 C5 -179(2) . . . . ?
C59 C57 C115 Rh2 -60.7(6) . . . . ?
C59 C57 C115 C29 0.0 . . . . ?
C59 C57 C115 C81 -178.7(18) . . . . ?
C119 C68 C70 C72 -178.4(11) . . . . ?
C119 C68 C70 C149 1.3(14) . . . . ?
C119 C68 C78 C76 178.4(12) . . . . ?
C119 C68 C78 C33 0.0(14) . . . . ?
O11 S4 C188 F1 61.6(17) . . . . ?
O11 S4 C188 F4 -58.6(15) . . . . ?
O11 S4 C188 F10 -173.2(14) . . . . ?
C121 C146 C148 Rh8 -117.0(15) . . . . ?
C121 C146 C148 C36 -178.2(14) . . . . ?
C121 C146 C148 C208 6(2) . . . . ?
C61 C98 C105 C37 -1(3) . . . . ?
C123 N8 C122 C150 -3.9(19) . . . . ?
C31 C52 C62 C34 177.8(14) . . . . ?
C31 C52 C62 C53 -7(2) . . . . ?
O23 S6 C45 F20 61(3) . . . . ?
O23 S6 C45 F22 -60(2) . . . . ?
O23 S6 C45 F3 -170.7(18) . . . . ?
C125 C174 C176 C178 -178.0(15) . . . . ?
C63 C96 C140 Rh1 -119.4(14) . . . . ?
C63 C96 C140 C12 -179.4(13) . . . . ?
C63 C96 C140 C152 5(2) . . . . ?
O3 S2 C191 F15 -66(2) . . . . ?
O3 S2 C191 F17 175(2) . . . . ?
O3 S2 C191 F9 52(3) . . . . ?
C127 C144 C166 C114 1(2) . . . . ?
C2 C165 C83 Rh5 -131(2) . . . . ?
C2 C165 C83 C167 169(2) . . . . ?
C2 C165 C83 C171 -17(3) . . . . ?
C65 C92 C112 Rh6 -117.5(15) . . . . ?
C65 C92 C112 C104 178.5(14) . . . . ?
C65 C92 C112 C129 8(2) . . . . ?
C65 C92 C126 Rh6 120.5(15) . . . . ?
C65 C92 C126 C120 178.0(14) . . . . ?
C65 C92 C126 C73 1(3) . . . . ?
C131 C71 C143 C133 3.2(17) . . . . ?
C131 C71 C143 C9 -177.7(15) . . . . ?
O25 C153 C77 C155 179(2) . . . . ?
C133 C143 C9 C139 179.1(14) . . . . ?
C133 C143 C9 C47 -3.5(18) . . . . ?
C67 Rh7 C17 C135 -34.58(14) . . . . ?
C67 Rh7 C17 C137 75.9(2) . . . . ?
C67 Rh7 C17 C203 -163.4(13) . . . . ?
C67 Rh7 O39 C39 -1(3) . . . . ?
C67 C135 C17 Rh7 68.6(6) . . . . ?
C67 C135 C17 C137 0.0 . . . . ?
C67 C135 C17 C203 165(2) . . . . ?
C67 C135 C17 Rh9 53.2(5) . . . . ?
C135 Rh7 C17 C137 110.4(2) . . . . ?
C135 Rh7 C17 C203 -128.8(14) . . . . ?
C135 Rh7 O39 C39 -47(3) . . . . ?
C135 C67 C69 Rh7 -47.3(5) . . . . ?
C135 C67 C69 C137 0.0 . . . . ?
C135 C67 C69 C207 155(2) . . . . ?
C135 C67 C69 Rh9 -72.3(6) . . . . ?
C135 C67 Rh9 N3 160.4(10) . . . . ?
C135 C67 Rh9 C17 36.03(15) . . . . ?
C135 C67 Rh9 C137 75.0(2) . . . . ?
C135 C67 Rh9 C69 112.6(2) . . . . ?
C135 C67 Rh9 O15 -80.6(9) . . . . ?
C135 C67 Rh9 O39 7.9(14) . . . . ?
C135 C17 C137 Rh7 79.5(6) . . . . ?
C135 C17 C137 C69 0.0 . . . . ?
C135 C17 C137 C51 177(2) . . . . ?
C135 C17 C137 Rh9 48.0(5) . . . . ?
C135 C17 C203 Rh7 -91.0(16) . . . . ?
C17 Rh7 O39 C39 -99(3) . . . . ?
C17 C137 C69 Rh7 62.8(5) . . . . ?
C17 C137 C69 C67 0.0 . . . . ?
C17 C137 C69 C207 -156(2) . . . . ?
C17 C137 C69 Rh9 57.5(5) . . . . ?
C137 Rh7 C17 C135 -110.4(2) . . . . ?
C137 Rh7 C17 C203 120.8(13) . . . . ?
C137 Rh7 O39 C39 -170(2) . . . . ?
C137 C17 C203 Rh7 71.9(12) . . . . ?
C69 Rh7 C17 C135 -72.1(2) . . . . ?
C69 Rh7 C17 C137 38.38(14) . . . . ?
C69 Rh7 C17 C203 159.2(13) . . . . ?
C69 Rh7 O39 C39 65(4) . . . . ?
C69 C67 C135 Rh7 49.7(5) . . . . ?
C69 C67 C135 C17 0.0 . . . . ?
C69 C67 C135 C195 166(2) . . . . ?
C69 C67 C135 Rh9 68.7(5) . . . . ?
C69 C67 Rh9 N3 47.8(10) . . . . ?
C69 C67 Rh9 C135 -112.6(2) . . . . ?
C69 C67 Rh9 C17 -76.6(2) . . . . ?
C69 C67 Rh9 C137 -37.60(15) . . . . ?
C69 C67 Rh9 O15 166.8(9) . . . . ?
C69 C67 Rh9 O39 -104.7(14) . . . . ?
C139 C35 C141 C71 0.0 . . . . ?
C139 C35 C141 C79 178.7(14) . . . . ?
C35 C139 C9 C143 0.0 . . . . ?
C35 C139 C9 C47 -177.1(17) . . . . ?
C35 C141 C71 C131 177.8(14) . . . . ?
C35 C141 C71 C143 0.0 . . . . ?
C141 C71 C143 C133 -179.1(14) . . . . ?
C141 C71 C143 C9 0.0 . . . . ?
C71 C143 C9 C139 0.0 . . . . ?
C71 C143 C9 C47 177.4(15) . . . . ?
C9 C139 C35 C141 0.0 . . . . ?
C9 C139 C35 C179 178.8(14) . . . . ?
O13 S8 C199 F14 -50.0(19) . . . . ?
O13 S8 C199 F16 67(2) . . . . ?
O13 S8 C199 F18 176(2) . . . . ?
C147 N2 C37 C105 3(3) . . . . ?
C37 N2 C147 C61 -1(3) . . . . ?
O27 S2 C191 F15 168.9(18) . . . . ?
O27 S2 C191 F17 51(2) . . . . ?
O27 S2 C191 F9 -72(3) . . . . ?
C149 C70 C72 C74 -179.7(11) . . . . ?
C149 C70 C72 C182 3.2(14) . . . . ?
C19 C153 C77 C155 0.0 . . . . ?
C153 C19 C157 C39 0.0 . . . . ?
C153 C19 O7 Rh3 4(2) . . . . ?
C153 C77 C155 C39 0.0 . . . . ?
C153 C77 C155 O15 177(2) . . . . ?
C77 C155 C39 C157 0.0 . . . . ?
C77 C155 C39 O39 -176.8(18) . . . . ?
C77 C155 O15 Rh7 -177.8(11) . . . . ?
C77 C155 O15 Rh9 168.6(14) . . . . ?
C155 C39 C157 C19 0.0 . . . . ?
C155 C39 O39 Rh7 -14(3) . . . . ?
C155 C39 O39 Rh9 -0.2(17) . . . . ?
C155 O15 Rh9 N3 -64(2) . . . . ?
C155 O15 Rh9 C67 157(2) . . . . ?
C155 O15 Rh9 C135 113(2) . . . . ?
C155 O15 Rh9 C17 79(2) . . . . ?
C155 O15 Rh9 C137 61(3) . . . . ?
C155 O15 Rh9 C69 -177.4(18) . . . . ?
C155 O15 Rh9 O39 11(2) . . . . ?
C39 C155 O15 Rh7 -0.8(16) . . . . ?
C39 C155 O15 Rh9 -14(3) . . . . ?
C157 C19 C153 O25 -178.6(19) . . . . ?
C157 C19 C153 C77 0.0 . . . . ?
C157 C19 O7 Rh3 -175.8(9) . . . . ?
C157 C39 O39 Rh7 169.7(15) . . . . ?
C157 C39 O39 Rh9 -176.5(11) . . . . ?
C79 C141 C71 C131 -0.8(17) . . . . ?
C79 C141 C71 C143 -178.6(15) . . . . ?
O7 C19 C153 O25 1(2) . . . . ?
O7 C19 C153 C77 180(2) . . . . ?
O7 C19 C157 C39 -180(2) . . . . ?
C161 C120 C126 Rh6 -123.4(15) . . . . ?
C161 C120 C126 C92 176.7(14) . . . . ?
C161 C120 C126 C73 -6(2) . . . . ?
C81 C115 C29 Rh2 114.6(18) . . . . ?
C81 C115 C29 C117 178(2) . . . . ?
C81 C115 C29 C193 8(3) . . . . ?
O29 S2 C191 F15 52(2) . . . . ?
O29 S2 C191 F17 -66(3) . . . . ?
O29 S2 C191 F9 171(2) . . . . ?
O15 Rh7 C17 C135 16.4(9) . . . . ?
O15 Rh7 C17 C137 126.8(9) . . . . ?
O15 Rh7 C17 C203 -112.4(14) . . . . ?
O15 Rh7 O39 C39 11(2) . . . . ?
O15 C155 C39 C157 -177.3(17) . . . . ?
O15 C155 C39 O39 5.9(17) . . . . ?
C163 C128 C146 Rh8 -119.7(18) . . . . ?
C163 C128 C146 C148 178.5(17) . . . . ?
C163 C128 C146 C121 -4(2) . . . . ?
C163 C128 C180 Rh8 120.2(15) . . . . ?
C163 C128 C180 C36 -177.8(15) . . . . ?
C163 C128 C180 C204 7(2) . . . . ?
C41 C165 C83 Rh5 59.8(5) . . . . ?
C41 C165 C83 C167 0.0 . . . . ?
C41 C165 C83 C171 173.6(19) . . . . ?
C165 C41 C21 Rh5 -63.0(6) . . . . ?
C165 C41 C21 C151 174.8(18) . . . . ?
C165 C41 C21 C167 0.0 . . . . ?
C165 C83 C167 Rh5 59.5(6) . . . . ?
C165 C83 C167 C21 0.0 . . . . ?
C165 C83 C167 C101 177(2) . . . . ?
C83 C167 C21 Rh5 61.4(5) . . . . ?
C83 C167 C21 C151 -174(2) . . . . ?
C83 C167 C21 C41 0.0 . . . . ?
C21 C41 C165 Rh5 61.9(6) . . . . ?
C21 C41 C165 C2 -169(2) . . . . ?
C21 C41 C165 C83 0.0 . . . . ?
C85 C183 C23 Rh3 -120(3) . . . . ?
C85 C183 C23 C185 -173(3) . . . . ?
C85 C183 C23 C95 10(4) . . . . ?
O31 S3 C3 F24 172(3) . . . . ?
O31 S3 C3 F7 52(3) . . . . ?
O31 S3 C3 F23 -67(3) . . . . ?
C171 C83 C167 Rh5 -114.5(16) . . . . ?
C171 C83 C167 C21 -174.0(18) . . . . ?
C171 C83 C167 C101 3(3) . . . . ?
C43 C200 C145 Rh4 -121.7(15) . . . . ?
C43 C200 C145 C109 -179.0(14) . . . . ?
C43 C200 C145 C169 -7(2) . . . . ?
N7 C173 C87 C175 0.0 . . . . ?
C173 N7 C177 C11 0.0 . . . . ?
C173 C87 C175 C11 0.0 . . . . ?
C173 C87 C175 C201 -175.8(18) . . . . ?
C87 C175 C11 C177 0.0 . . . . ?
C87 C175 C201 C89 -164(10) . . . . ?
C175 C11 C177 N7 0.0 . . . . ?
C11 C175 C201 C89 20(11) . . . . ?
C177 N7 C173 C87 0.0 . . . . ?
C89 C139 C35 C141 -179.6(15) . . . . ?
C89 C139 C35 C179 -0.8(17) . . . . ?
C89 C139 C9 C143 179.6(15) . . . . ?
C89 C139 C9 C47 3(2) . . . . ?
C179 C35 C141 C71 -178.8(13) . . . . ?
C179 C35 C141 C79 -0.2(16) . . . . ?
C181 C91 C183 Rh3 58.9(9) . . . . ?
C181 C91 C183 C85 173(3) . . . . ?
C181 C91 C183 C23 0.0 . . . . ?
C91 C181 C185 Rh3 -67.8(10) . . . . ?
C91 C181 C185 C23 0.0 . . . . ?
C91 C181 C185 C189 -178(2) . . . . ?
C91 C183 C23 Rh3 53.6(9) . . . . ?
C91 C183 C23 C185 0.0 . . . . ?
C91 C183 C23 C95 -176(3) . . . . ?
C183 C23 C185 Rh3 58.3(9) . . . . ?
C183 C23 C185 C181 0.0 . . . . ?
C183 C23 C185 C189 178(3) . . . . ?
C185 C181 C91 Rh3 68.3(10) . . . . ?
C185 C181 C91 C183 0.0 . . . . ?
C185 C181 C91 C205 168(3) . . . . ?
C93 C41 C165 Rh5 -113.8(18) . . . . ?
C93 C41 C165 C2 15(3) . . . . ?
C93 C41 C165 C83 -176(2) . . . . ?
C93 C41 C21 Rh5 112.6(18) . . . . ?
C93 C41 C21 C151 -10(2) . . . . ?
C93 C41 C21 C167 176(2) . . . . ?
C187 C117 C59 Rh2 119.6(19) . . . . ?
C187 C117 C59 C57 180(2) . . . . ?
C187 C117 C59 C5 1(3) . . . . ?
O2 S5 C197 F13 -173(2) . . . . ?
O2 S5 C197 F2 69(2) . . . . ?
O2 S5 C197 F11 -61(2) . . . . ?
C95 C23 C185 Rh3 -125(3) . . . . ?
C95 C23 C185 C181 177(3) . . . . ?
C95 C23 C185 C189 -5(4) . . . . ?
O33 S3 C3 F24 -66(3) . . . . ?
O33 S3 C3 F7 175(2) . . . . ?
O33 S3 C3 F23 55(3) . . . . ?
O17 S3 C3 F24 51(3) . . . . ?
O17 S3 C3 F7 -69(3) . . . . ?
O17 S3 C3 F23 172(3) . . . . ?
O35 S7 C99 F19 170(2) . . . . ?
O35 S7 C99 F5 -69(3) . . . . ?
O35 S7 C99 F21 48(3) . . . . ?
C193 C29 C117 Rh2 107.5(19) . . . . ?
C193 C29 C117 C59 171(2) . . . . ?
C193 C29 C117 C187 -9(3) . . . . ?
C97 C57 C115 Rh2 116.2(18) . . . . ?
C97 C57 C115 C29 177(2) . . . . ?
C97 C57 C115 C81 -2(2) . . . . ?
C97 C57 C59 Rh2 -118.4(18) . . . . ?
C97 C57 C59 C117 -177(2) . . . . ?
C97 C57 C59 C5 2(3) . . . . ?
C195 C135 C17 Rh7 -96(2) . . . . ?
C195 C135 C17 C137 -165(2) . . . . ?
C195 C135 C17 C203 0(3) . . . . ?
C195 C135 C17 Rh9 -112(2) . . . . ?
C49 C67 C135 Rh7 -146(2) . . . . ?
C49 C67 C135 C17 165(3) . . . . ?
C49 C67 C135 C195 -29(3) . . . . ?
C49 C67 C135 Rh9 -127(3) . . . . ?
C49 C67 C69 Rh7 147(2) . . . . ?
C49 C67 C69 C137 -165(2) . . . . ?
C49 C67 C69 C207 -10(3) . . . . ?
C49 C67 C69 Rh9 122(2) . . . . ?
C49 C67 Rh9 N3 -71.8(19) . . . . ?
C49 C67 Rh9 C135 127.8(17) . . . . ?
C49 C67 Rh9 C17 163.8(17) . . . . ?
C49 C67 Rh9 C137 -157.2(17) . . . . ?
C49 C67 Rh9 C69 -119.6(17) . . . . ?
C49 C67 Rh9 O15 47.2(19) . . . . ?
C49 C67 Rh9 O39 135.7(18) . . . . ?
O9 S7 C99 F19 -70(3) . . . . ?
O9 S7 C99 F5 51(3) . . . . ?
O9 S7 C99 F21 168(2) . . . . ?
O37 S7 C99 F19 58(3) . . . . ?
O37 S7 C99 F5 179(2) . . . . ?
O37 S7 C99 F21 -65(3) . . . . ?
O19 S8 C199 F14 -168.7(17) . . . . ?
O19 S8 C199 F16 -51.6(19) . . . . ?
O19 S8 C199 F18 57(2) . . . . ?
O39 Rh7 C17 C135 102.6(12) . . . . ?
O39 Rh7 C17 C137 -146.9(12) . . . . ?
O39 Rh7 C17 C203 -26.2(18) . . . . ?
O39 C39 C157 C19 176(2) . . . . ?
C201 C175 C11 C177 175(2) . . . . ?
C101 C167 C21 Rh5 -115.9(17) . . . . ?
C101 C167 C21 C151 8(2) . . . . ?
C101 C167 C21 C41 -177.3(19) . . . . ?
C203 Rh7 C17 C135 128.8(13) . . . . ?
C203 Rh7 C17 C137 -120.8(13) . . . . ?
C203 Rh7 O39 C39 -114(3) . . . . ?
C203 C17 C137 Rh7 -87(2) . . . . ?
C203 C17 C137 C69 -166(2) . . . . ?
C203 C17 C137 C51 11(3) . . . . ?
C203 C17 C137 Rh9 -118(2) . . . . ?
C51 C137 C69 Rh7 -114.4(19) . . . . ?
C51 C137 C69 C67 -177(2) . . . . ?
C51 C137 C69 C207 27(3) . . . . ?
C51 C137 C69 Rh9 -119.7(18) . . . . ?
C205 C91 C183 Rh3 -109(2) . . . . ?
C205 C91 C183 C85 4(4) . . . . ?
C205 C91 C183 C23 -168(3) . . . . ?
C103 C181 C91 Rh3 -114(3) . . . . ?
C103 C181 C91 C183 178(4) . . . . ?
C103 C181 C91 C205 -14(4) . . . . ?
C103 C181 C185 Rh3 114(3) . . . . ?
C103 C181 C185 C23 -178(3) . . . . ?
C103 C181 C185 C189 3(3) . . . . ?
Rh9 N3 C170 C172 173.5(11) . . . . ?
Rh9 N3 C178 C176 -174.4(10) . . . . ?
Rh9 C67 C135 C17 -68.7(5) . . . . ?
Rh9 C67 C135 C195 97.6(19) . . . . ?
Rh9 C67 C69 C137 72.3(6) . . . . ?
Rh9 C67 C69 C207 -132(2) . . . . ?
Rh9 C135 C17 C137 -53.2(5) . . . . ?
Rh9 C135 C17 C203 111(2) . . . . ?
Rh9 C17 C137 C69 -48.0(5) . . . . ?
Rh9 C17 C137 C51 129(2) . . . . ?
Rh9 C137 C69 C67 -57.5(5) . . . . ?
Rh9 C137 C69 C207 147(2) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 462 electrons were 
found in a volume of 2665Å³ in 4 voids per unit cell. 
This is consistent with the presence of 
3.5[CH3OH], 1[C6H14O] per Asymmetric Unit 
which account for 484 electrons 
per unit cell.
;
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 -0.370 -0.065 0.041 626.4 133.5 '7 CH3OH'
2 -0.296 -0.400 0.500 1352.7 194.3 '4 C6H14O'
3 0.017 0.234 0.616 21.0 0.0 ?
4 -0.307 0.435 -0.041 626.4 132.6 '7 CH3OH'
5 -0.017 0.734 0.384 21.0 0.0 ?
6 0.126 0.135 0.278 9.3 0.0 ?
7 0.874 0.635 0.722 9.3 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.74(4)
2 0.26(4)

####################################################################### 
# 
# 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. 
# 
#######################################################################

data_pna21
_database_code_depnum_ccdc_archive 'CCDC 2132805'
loop_
_audit_author_name
_audit_author_address
dang
;luoyang normal university
China
;
_audit_update_record             
;
2022-02-28 deposited with the CCDC.	2022-04-05 downloaded from the CCDC.
;
_audit_creation_date             2021-08-01
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3

# start Validation Reply Form
_vrf_PLAT026_pna21               
;
PROBLEM: Ratio Observed / Unique Reflections (too) Low ....... 29% Check 
RESPONSE: There are many weak reflections due to the presence of a superlattice.
;
_vrf_PLAT342_pna21               
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............  0.02058 Ang.  
RESPONSE:  Poor data quality in context with large assymetric unit
and heavy rhodium atoms in the lattice.
;
_vrf_PLAT910_pna21               
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min). 13 Note 
RESPONSE:   The unit cell is reasonable large and these low-angle 
reflections are probably missing due to the beamstop.
;
# end Validation Reply Form

_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C124 H117 N4 O8 Rh4), 20[CF3SO3]'
_chemical_formula_sum            'C268 H233 F60 N8 O76 Rh8 S20'
_chemical_formula_weight         7386.09
_chemical_absolute_configuration ?
_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 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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      orthorhombic
_space_group_IT_number           33
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'
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'

_cell_length_a                   29.3957(12)
_cell_length_b                   27.2297(11)
_cell_length_c                   40.625(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     32518(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9808
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      52.6640
_cell_measurement_theta_min      3.0430
_shelx_estimated_absorpt_T_max   0.673
_shelx_estimated_absorpt_T_min   0.520
_exptl_absorpt_coefficient_mu    5.368
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.27921
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.509
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             14900
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0906
_diffrn_reflns_av_unetI/netI     0.1696
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.959
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -50
_diffrn_reflns_number            81531
_diffrn_reflns_point_group_measured_fraction_full 0.764
_diffrn_reflns_point_group_measured_fraction_max 0.722
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         74.832
_diffrn_reflns_theta_min         3.740
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2684
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -5.00  60.00   1.00    5.00    --   40.73 -57.00  30.00   65
  2  ω     38.00 122.00   1.00    5.00    --  107.58 -45.00 -30.00   84
  3  ω     56.00 137.00   1.00    5.00    --  107.58 -61.00-150.00   81
  4  ω     43.00  93.00   1.00    5.00    --  107.58 -95.00-150.00   50
  5  ω     26.00  77.00   1.00    5.00    --   40.73-125.00-150.00   51
  6  ω    -92.00 -22.00   1.00    5.00    --  -40.73 -57.00   0.00   70
  7  ω     97.00 122.00   1.00    5.00    --  107.58 125.00 120.00   25
  8  ω    133.00 158.00   1.00    5.00    --  107.58 125.00-120.00   25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0076624000
_diffrn_orient_matrix_UB_12      -0.0143867000
_diffrn_orient_matrix_UB_13      -0.0362582000
_diffrn_orient_matrix_UB_21      -0.0501123000
_diffrn_orient_matrix_UB_22      -0.0121489000
_diffrn_orient_matrix_UB_23      0.0078058000
_diffrn_orient_matrix_UB_31      -0.0133814000
_diffrn_orient_matrix_UB_32      0.0533237000
_diffrn_orient_matrix_UB_33      -0.0080288000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.484
_reflns_Friedel_fraction_full    0.525
_reflns_Friedel_fraction_max     0.478
_reflns_number_gt                14141
_reflns_number_total             48239
_reflns_odcompleteness_completeness 99.82
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.743
_refine_diff_density_min         -0.569
_refine_diff_density_rms         0.065
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.639(10)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2259
_refine_ls_number_reflns         48239
_refine_ls_number_restraints     7595
_refine_ls_R_factor_all          0.2019
_refine_ls_R_factor_gt           0.0973
_refine_ls_restrained_S_all      0.991
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0100P)²+40.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1601
_refine_ls_wR_factor_ref         0.2025
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.361(10)
 0.639(10)
2. 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
3. Restrained distances
 C137-C9
 2.34 with sigma of 0.02
 C41-C85 = C163-C171 = C21-C83 = C165-C43
 1.53 with sigma of 0.02
 C199-C231 = C119-C25 = C49-C59 = C197-C239 = C99-C29
 1.53 with sigma of 0.02
 C5-C224
 1.53 with sigma of 0.02
 C59-C49 = C25-C119
 1.53 with sigma of 0.02
 C59-C49 = C25-C119 = C231-C199 = C99-C29 = C239-C197
 1.53 with sigma of 0.01
 C59-C25
 2.68 with sigma of 0.02
 C113-C185 = C187-C23
 1.53 with sigma of 0.02
 C59-C197
 2.68 with sigma of 0.02
 C35-C137
 2.34 with sigma of 0.02
 C119-C199
 2.68 with sigma of 0.02
 C119-C49
 2.68 with sigma of 0.02
 C183-C187
 2.68 with sigma of 0.02
 C235-C213
 2.64 with sigma of 0.02
 C36-C30
 1.35 with sigma of 0.02
 C235-C105
 2.64 with sigma of 0.02
 C237-C53 = C117-C211 = C15-C105 = C107-C235 = C233-C213
 1.53 with sigma of 0.02
 C248-C71
 1.35 with sigma of 0.02
 C248-C143
 2.34 with sigma of 0.02
 C248-C141
 2.34 with sigma of 0.02
 C234-C137
 1.13 with sigma of 0.02
 C184-C234
 1.54 with sigma of 0.02
 C133-C17
 1.54 with sigma of 0.02
 C28-C36
 2.34 with sigma of 0.02
 C36-C32
 2.34 with sigma of 0.02
 C65-C222
 2.34 with sigma of 0.02
 C230-C65
 2.34 with sigma of 0.02
 C120-C1 = C108-C1 = C108-C110 = C110-C147 = C147-C130 = C120-C130
 1.39 with sigma of 0.02
 C124-C144 = C37-C218 = C37-C144 = C218-C216 = C126-C216
 1.39 with sigma of 0.02
 C216-C124
 2.39 with sigma of 0.02
 C37-C216
 2.39 with sigma of 0.02
 C218-C126
 2.39 with sigma of 0.02
 C144-C218
 2.39 with sigma of 0.02
 C126-C144
 2.39 with sigma of 0.02
 C124-C37
 2.39 with sigma of 0.02
 C94-C12 = C168-C94 = C168-C164 = C14-C148 = C164-C148
 1.39 with sigma of 0.02
 C58-C178 = C178-C172 = C172-C149 = C174-C149 = C60-C174 = C58-C60
 1.39 with sigma of 0.02
 C80-C155 = C54-C80 = C66-C64 = C66-C75
 1.39 with sigma of 0.02
 C68-C70 = C72-C74 = C76-C78
 1.39 with sigma of 0.02
 C146-C78 = C39-C146 = C157-C39 = C157-C79 = C76-C79
 1.39 with sigma of 0.02
 C104-C31 = C31-C100
 2.48 with sigma of 0.02
 C31-C102
 1.53 with sigma of 0.02
 C240-C145
 1.53 with sigma of 0.02
 C31-C145
 1.2 with sigma of 0.02
 C69-C134
 2.48 with sigma of 0.02
 C69-C138
 2.48 with sigma of 0.02
 C248-C71 = C69-C136
 1.53 with sigma of 0.02
 C248-C69
 1.2 with sigma of 0.02
 C192-C226
 1.53 with sigma of 0.02
 C192-C73
 1.2 with sigma of 0.02
 C198-C73
 1.53 with sigma of 0.02
 C192-C226 = C198-C73
 1.53 with sigma of 0.02
 C200-C73
 2.38 with sigma of 0.02
 C73-C196
 2.38 with sigma of 0.02
 Rh7-C199 = Rh7-C99
 2.1 with sigma of 0.02
 Rh4-C105 = Rh4-C211 = Rh4-C107
 2.1 with sigma of 0.02
 C230-C159 = C228-C161 = C222-C129
 1.53 with sigma of 0.02
 C234-C35
 3.4 with sigma of 0.02
 C234-C9
 3.4 with sigma of 0.02
 C69-C143
 3.4 with sigma of 0.02
 C69-C141
 3.4 with sigma of 0.02
 Rh5-C140
 3.1 with sigma of 0.02
 Rh5-C132
 3.1 with sigma of 0.02
 Rh6-C180
 3.1 with sigma of 0.02
 Rh6-C188
 3.1 with sigma of 0.02
 C111-C141
 1.53 with sigma of 0.02
 C143-C81 = C9-C221
 1.53 with sigma of 0.02
 C42-C55 = C190-C40 = C48-C176 = C166-C46
 1.53 with sigma of 0.02
 C35-C111
 2.6 with sigma of 0.02
 C221-C143
 2.6 with sigma of 0.02
 C111-C71
 2.6 with sigma of 0.02
 C81-C71
 2.6 with sigma of 0.02
 C221-C139
 2.6 with sigma of 0.02
 C81-C9
 2.6 with sigma of 0.02
 C139-C223
 2.6 with sigma of 0.02
 C35-C223
 1.53 with sigma of 0.02
 C7-C150 = C7-C6 = C160-C142 = C8-C142
 1.39 with sigma of 0.02
 C191-C227 = C3-C195 = C47-C97 = C193-C189
 1.53 with sigma of 0.02
 C95-C57
 1.53 with sigma of 0.02
 C169-C167
 1.53 with sigma of 0.02
 C97-C3
 2.64 with sigma of 0.02
 C193-C47
 2.64 with sigma of 0.02
 C57-C191
 2.64 with sigma of 0.02
 C57-C189
 2.64 with sigma of 0.02
 C95-C227
 2.64 with sigma of 0.02
 C195-C191
 2.64 with sigma of 0.02
 C3-C227
 2.64 with sigma of 0.02
 C195-C47
 2.64 with sigma of 0.02
 C193-C95
 2.64 with sigma of 0.02
 C97-C189
 2.64 with sigma of 0.02
 C43-C83
 2.64 with sigma of 0.02
 C43-C41
 2.64 with sigma of 0.02
 C229-C185
 2.64 with sigma of 0.02
 C93-C229
 1.53 with sigma of 0.02
 C229-C91
 2.64 with sigma of 0.02
 C103-C101
 2.64 with sigma of 0.02
 C207-C51 = C203-C209 = C205-C13 = C201-C103 = C115-C101
 1.53 with sigma of 0.02
 C115-C201
 2.64 with sigma of 0.02
 C103-C205
 2.64 with sigma of 0.02
 C13-C51
 2.64 with sigma of 0.02
 C203-C115
 2.64 with sigma of 0.02
 C207-C205
 2.64 with sigma of 0.02
 C207-C203
 2.64 with sigma of 0.02
 C13-C201
 2.64 with sigma of 0.02
 C209-C101
 2.64 with sigma of 0.02
 C203-C209
 1.53 with sigma of 0.01
 C209-C51
 2.64 with sigma of 0.02
 O15-C7
 1.3 with sigma of 0.02
 C233-C53
 2.64 with sigma of 0.02
 C117-C53
 2.64 with sigma of 0.02
 C107-C233
 2.64 with sigma of 0.02
 C237-C211
 2.64 with sigma of 0.02
 C117-C105
 2.64 with sigma of 0.02
 C15-C211
 2.64 with sigma of 0.02
 C15-C107
 2.64 with sigma of 0.02
 C241-C183
 1.53 with sigma of 0.02
 C241-C91
 2.68 with sigma of 0.02
 C245-C109
 2.68 with sigma of 0.02
 C123-C219
 2.68 with sigma of 0.02
 C243-C215
 2.68 with sigma of 0.02
 C243-C217
 2.68 with sigma of 0.02
 C241-C23
 2.68 with sigma of 0.02
 C121-C217
 2.68 with sigma of 0.02
 C123-C27
 2.68 with sigma of 0.02
 C121-C219
 2.68 with sigma of 0.02
 C217-C245 = C109-C121 = C61-C219 = C215-C123 = C27-C243
 1.53 with sigma of 0.02
 C61-C109
 2.68 with sigma of 0.02
 C245-C27
 2.68 with sigma of 0.02
 C61-C215
 2.68 with sigma of 0.02
 C247-C183
 2.68 with sigma of 0.02
 C247-C93
 2.68 with sigma of 0.02
 C247-C91
 1.53 with sigma of 0.02
 C211-C237
 2.68 with sigma of 0.02
 C53-C237
 1.53 with sigma of 0.02
 C237-C213
 2.68 with sigma of 0.02
 C49-C239
 2.68 with sigma of 0.02
 C29-C199
 2.68 with sigma of 0.02
 C197-C29
 2.68 with sigma of 0.02
 C239-C99
 2.68 with sigma of 0.02
 C231-C25
 2.68 with sigma of 0.02
 C231-C99
 2.68 with sigma of 0.02
 C129-C224
 2.54 with sigma of 0.02
 C129-C220
 2.54 with sigma of 0.02
 C72-C50 = C84-C50 = C86-C52 = C70-C52
 1.39 with sigma of 0.02
 C187-C185
 2.68 with sigma of 0.02
 C187-C183
 2.68 with sigma of 0.02
 C93-C229 = C185-C113 = C23-C187 = C241-C183 = C91-C247
 1.53 with sigma of 0.01
 C113-C93
 2.68 with sigma of 0.02
 C113-C23
 2.68 with sigma of 0.02
 C125-C104 = C127-C106
 1.53 with sigma of 0.01
 H11F-H22H
 2.1 with sigma of 0.02
 H12N-H12K
 2.1 with sigma of 0.02
 H43B-H45C_$1
 2.1 with sigma of 0.02
 H12L-H12N
 2.1 with sigma of 0.02
4. Restrained planarity
 C235, C233, C237, C15, C107, C213, C53, C211, C105
 with sigma of 0.1
 C65, C73, C192, C220, C222, C224, C226, C228, C230, C232
 with sigma of 0.1
 N2, C73, C192, C194, C196, C198, C200, C202
 with sigma of 0.1
 C37, C120, C122, C124, C126, C128, C130, C144, C216, C218
 with sigma of 0.1
 C9, C35, C69, C71, C81, C111, C137, C139, C141, C143, C221, C223, C234, C248
 with sigma of 0.1
 C17, C38, C40, C42, C44, C46, C48, C55, C166, C170, C176, C190, C214, C246
 with sigma of 0.1
 C2, C31, C36, C63, C96, C98, C100, C102, C104, C106, C125, C127, C145, C162
 with sigma of 0.1
5. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
6. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
All non-hydrogen atoms restrained to be isotropic: with sigma of 0.01 and sigma
for terminal atoms of 0.02
7. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
8.a Secondary CH2 refined with riding coordinates:
 C79(H79A,H79B)
8.b Me refined with riding coordinates:
 C5(H5A,H5B,H5C), C59(H59A,H59B,H59C), C85(H85A,H85B,H85C), C119(H11M,H11N,
 H11O), C179(H17J,H17K,H17L), C187(H18D,H18E,H18F), C235(H23D,H23E,H23F)
8.c Aromatic/amide H refined with riding coordinates:
 C16(H16), C18(H18), C22(H22), C24(H24), C194(H194), C196(H196), C200(H200),
 C202(H202), C236(H236), C238(H238), C242(H242), C244(H244), C26(H26), C28(H28),
  C32(H32), C34(H34), C204(H204), C206(H206), C210(H210), C212(H212),
 C132(H132), C134(H134), C138(H138), C140(H140), C131(H131), C33(H33), C67(H67),
  C135(H135), C180(H180), C182(H182), C186(H186), C188(H188), C37(H37),
 C39(H39), C151(H151), C19(H19), C153(H153), C77(H77), C82(H82), C88(H88),
 C90(H90), C92(H92), C94(H94), C112(H112), C114(H114), C116(H116), C118(H118),
 C144(H144), C146(H146), C148(H148), C149(H149), C152(H152), C154(H154),
 C156(H156), C158(H158), C157(H157), C164(H164), C168(H168), C172(H172),
 C174(H174), C178(H178), C216(H216), C218(H218)
8.d Fitted pentagon refined as free rotating group:
 C47(C189,C95,C191,C3), C49(C197,C99,C199,C25), C87(C175,C11,C177,C89),
 C91(C183,C23,C185,C93), C105(C211,C53,C213,C107), C163(C41,C165,C83,C167),
 C201(C101,C203,C51,C205), C215(C27,C217,C109,C219)
8.e Fitted hexagon refined as free rotating group:
 N1(C16,C18,C20,C22,C24), N2(C194,C196,C198,C200,C202), N3(C236,C238,C240,C242,
 C244), N4(C26,C28,C30,C32,C34), N5(C204,C206,C208,C210,C212), N6(C132,C134,
 C136,C138,C140), N7(C131,C33,C133,C67,C135), N8(C180,C182,C184,C186,C188),
 C4(C6,C8,C10,C12,C14), C38(C40,C42,C44,C46,C48), C54(C56,C58,C60,C62,C64),
 C68(C70,C72,C74,C76,C78), C75(C151,C19,C153,C77,C155), C82(C84,C86,C88,C90,
 C92), C96(C98,C100,C102,C104,C106), C108(C110,C112,C114,C116,C118), C120(C122,
 C124,C126,C128,C130), C139(C35,C141,C71,C143,C9), C150(C152,C154,C156,C158,
 C160), C220(C222,C224,C226,C228,C230)
8.f Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C13(H13A,H13B,H13C), C15(H15A,H15B,H15C), C21(H21A,H21B,
 H21C), C29(H29A,H29B,H29C), C43(H43A,H43B,H43C), C45(H45A,H45B,H45C), C55(H55A,
 H55B,H55C), C57(H57A,H57B,H57C), C61(H61A,H61B,H61C), C63(H63A,H63B,H63C),
 C81(H81A,H81B,H81C), C97(H97A,H97B,H97C), C103(H10A,H10B,H10C), C111(H11D,H11E,
 H11F), C113(H11G,H11H,H11I), C115(H11J,H11K,H11L), C117(H11A,H11B,H11C),
 C121(H12A,H12B,H12C), C123(H12D,H12E,H12F), C125(H12J,H12K,H12L), C127(H12M,
 H12N,H12O), C129(H12G,H12H,H12I), C159(H15D,H15E,H15F), C161(H16A,H16B,H16C),
 C166(H16D,H16E,H16F), C169(H16G,H16H,H16I), C171(H17A,H17B,H17C), C173(H17D,
 H17E,H17F), C176(H17G,H17H,H17I), C181(H18A,H18B,H18C), C190(H19A,H19B,H19C),
 C193(H19D,H19E,H19F), C195(H19G,H19H,H19I), C207(H20A,H20B,H20C), C209(H20D,
 H20E,H20F), C221(H22D,H22E,H22F), C223(H22G,H22H,H22I), C225(H22A,H22B,H22C),
 C227(H22J,H22K,H22L), C229(H22M,H22N,H22O), C231(H23J,H23K,H23L), C233(H23A,
 H23B,H23C), C237(H23G,H23H,H23I), C239(H23M,H23N,H23O), C241(H24G,H24H,H24I),
 C243(H24A,H24B,H24C), C245(H24D,H24E,H24F), C247(H24J,H24K,H24L)
;
_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 -0.11922(5) 1.30740(6) 0.49719(5) 0.1137(6) Uani 1 1 d . U . . .
Rh2 Rh -0.32166(6) 1.86471(6) 0.18880(6) 0.1378(8) Uani 1 1 d . U . . .
Rh3 Rh -0.49861(6) 1.63520(6) 0.13104(6) 0.1360(7) Uani 1 1 d . U . . .
Rh4 Rh 0.13069(5) 1.42917(6) 0.44057(7) 0.1451(8) Uani 1 1 d D U . . .
Rh5 Rh -0.16525(6) 1.11462(6) 0.23938(6) 0.1409(8) Uani 1 1 d D U . . .
Rh6 Rh -0.64628(6) 1.60378(6) 0.40465(7) 0.1501(9) Uani 1 1 d D U . . .
Rh7 Rh 0.01357(7) 1.33412(7) 0.16859(7) 0.1519(8) Uani 1 1 d D U . . .
Rh8 Rh -0.40756(6) 1.74647(8) 0.46503(7) 0.1573(8) Uani 1 1 d . U . . .
O1 O -0.4571(5) 1.7576(5) 0.4248(4) 0.143(4) Uani 1 1 d . U . . .
O2 O -0.4972(4) 1.6889(4) 0.1660(4) 0.115(3) Uani 1 1 d . U . . .
O3 O -0.1092(4) 1.1541(4) 0.2572(4) 0.118(3) Uani 1 1 d . U . . .
O4 O -0.0690(4) 1.2879(4) 0.4656(4) 0.113(3) Uani 1 1 d . U . . .
O5 O -0.0451(4) 1.2993(5) 0.1537(4) 0.130(3) Uani 1 1 d . U . . .
O6 O 0.0928(4) 1.3708(4) 0.4251(4) 0.118(3) Uani 1 1 d . U . . .
O7 O -0.3852(4) 1.8345(4) 0.2018(4) 0.119(3) Uani 1 1 d . U . . .
O8 O -0.6055(4) 1.6625(5) 0.3874(4) 0.130(3) Uani 1 1 d . U . . .
O9 O -0.3250(4) 1.8085(5) 0.1520(4) 0.126(3) Uani 1 1 d . U . . .
O10 O -0.4316(5) 1.6747(5) 0.4755(4) 0.154(4) Uani 1 1 d . U . . .
O11 O 0.0072(4) 1.2922(5) 0.2103(4) 0.124(3) Uani 1 1 d . U . . .
O12 O 0.0832(4) 1.4337(4) 0.4785(4) 0.128(3) Uani 1 1 d . U . . .
O13 O -0.4393(4) 1.6666(4) 0.1149(4) 0.117(3) Uani 1 1 d . U . . .
O14 O -0.0873(4) 1.3721(4) 0.5011(4) 0.118(3) Uani 1 1 d . U . . .
O15 O -0.6036(5) 1.6052(5) 0.4430(4) 0.146(3) Uani 1 1 d D U . . .
O16 O -0.1625(4) 1.1602(4) 0.1966(4) 0.118(3) Uani 1 1 d . U . . .
N1 N 0.0799(3) 1.4692(4) 0.4127(4) 0.126(3) Uani 1 1 d G U . . .
C16 C 0.0675(4) 1.4575(4) 0.3806(4) 0.134(4) Uani 1 1 d G U . . .
H16 H 0.081787 1.430909 0.369562 0.161 Uiso 1 1 calc R U . . .
C18 C 0.0342(5) 1.4849(5) 0.3646(3) 0.136(4) Uani 1 1 d G U . . .
H18 H 0.025743 1.476953 0.342715 0.163 Uiso 1 1 calc R U . . .
C20 C 0.0134(3) 1.5239(5) 0.3808(4) 0.129(4) Uani 1 1 d G U . . .
C22 C 0.0258(4) 1.5355(4) 0.4129(4) 0.125(4) Uani 1 1 d G U . . .
H22 H 0.011524 1.562129 0.423881 0.150 Uiso 1 1 calc R U . . .
C24 C 0.0591(4) 1.5081(5) 0.4288(3) 0.123(4) Uani 1 1 d G U . . .
H24 H 0.067568 1.516085 0.450729 0.148 Uiso 1 1 calc R U . . .
N2 N -0.2883(4) 1.8125(4) 0.2181(4) 0.123(4) Uani 1 1 d G U . . .
C194 C -0.3004(3) 1.8095(4) 0.2511(4) 0.128(4) Uani 1 1 d G U . . .
H194 H -0.324308 1.829328 0.259449 0.153 Uiso 1 1 calc R U . . .
C196 C -0.2774(4) 1.7774(5) 0.2719(3) 0.129(4) Uani 1 1 d DG U . . .
H196 H -0.285640 1.775394 0.294492 0.155 Uiso 1 1 calc R U . . .
C198 C -0.2424(4) 1.7484(4) 0.2597(3) 0.131(4) Uani 1 1 d DG U . . .
C200 C -0.2303(3) 1.7514(4) 0.2267(4) 0.131(4) Uani 1 1 d DG U . . .
H200 H -0.206364 1.731511 0.218351 0.157 Uiso 1 1 calc R U . . .
C202 C -0.2533(4) 1.7834(5) 0.2059(3) 0.130(4) Uani 1 1 d G U . . .
H202 H -0.245032 1.785445 0.183307 0.156 Uiso 1 1 calc R U . . .
N3 N -0.0327(4) 1.3840(4) 0.1878(4) 0.131(4) Uani 1 1 d G U . . .
C236 C -0.0709(5) 1.4017(5) 0.1715(3) 0.140(4) Uani 1 1 d G U . . .
H236 H -0.075112 1.394934 0.148800 0.169 Uiso 1 1 calc R U . . .
C238 C -0.1029(4) 1.4294(5) 0.1885(4) 0.141(4) Uani 1 1 d G U . . .
H238 H -0.129048 1.441576 0.177388 0.169 Uiso 1 1 calc R U . . .
C240 C -0.0968(4) 1.4394(4) 0.2218(4) 0.139(4) Uani 1 1 d DG U . . .
C242 C -0.0586(6) 1.4216(5) 0.2381(3) 0.139(4) Uani 1 1 d G U . . .
H242 H -0.054383 1.428409 0.260793 0.167 Uiso 1 1 calc R U . . .
C244 C -0.0266(4) 1.3939(4) 0.2211(4) 0.134(4) Uani 1 1 d G U . . .
H244 H -0.000446 1.381768 0.232205 0.161 Uiso 1 1 calc R U . . .
N4 N -0.3664(4) 1.7093(5) 0.4342(4) 0.142(4) Uani 1 1 d G U . . .
C26 C -0.3524(4) 1.6616(5) 0.4412(3) 0.145(4) Uani 1 1 d G U . . .
H26 H -0.359469 1.647213 0.461837 0.174 Uiso 1 1 calc R U . . .
C28 C -0.3282(4) 1.6350(4) 0.4178(4) 0.142(4) Uani 1 1 d DG U . . .
H28 H -0.318644 1.602420 0.422549 0.171 Uiso 1 1 calc R U . . .
C30 C -0.3179(4) 1.6561(5) 0.3876(3) 0.144(4) Uani 1 1 d DG U . . .
C32 C -0.3318(4) 1.7037(5) 0.3806(3) 0.141(4) Uani 1 1 d DG U . . .
H32 H -0.324796 1.718117 0.359941 0.170 Uiso 1 1 calc R U . . .
C34 C -0.3561(4) 1.7303(4) 0.4040(4) 0.141(4) Uani 1 1 d G U . . .
H34 H -0.365622 1.762911 0.399230 0.169 Uiso 1 1 calc R U . . .
N5 N -0.4589(4) 1.5947(4) 0.1646(4) 0.128(4) Uani 1 1 d G U . . .
C204 C -0.4701(3) 1.5968(4) 0.1978(4) 0.130(4) Uani 1 1 d G U . . .
H204 H -0.497045 1.613193 0.204618 0.156 Uiso 1 1 calc R U . . .
C206 C -0.4420(5) 1.5749(5) 0.2210(3) 0.126(4) Uani 1 1 d G U . . .
H206 H -0.449654 1.576304 0.243739 0.151 Uiso 1 1 calc R U . . .
C208 C -0.4026(5) 1.5509(4) 0.2111(4) 0.129(4) Uani 1 1 d G U . . .
C210 C -0.3913(3) 1.5488(4) 0.1779(4) 0.134(4) Uani 1 1 d G U . . .
H210 H -0.364400 1.532392 0.171066 0.161 Uiso 1 1 calc R U . . .
C212 C -0.4195(5) 1.5707(5) 0.1546(3) 0.131(4) Uani 1 1 d G U . . .
H212 H -0.411790 1.569281 0.131944 0.158 Uiso 1 1 calc R U . . .
N6 N -0.2076(3) 1.1715(3) 0.2590(3) 0.123(4) Uani 1 1 d G U . . .
C132 C -0.2401(4) 1.1956(4) 0.2403(3) 0.128(4) Uani 1 1 d DG U . . .
H132 H -0.243012 1.188504 0.217457 0.154 Uiso 1 1 calc R U . . .
C134 C -0.2685(3) 1.2302(4) 0.2548(3) 0.135(4) Uani 1 1 d DG U . . .
H134 H -0.290789 1.246694 0.241979 0.162 Uiso 1 1 calc R U . . .
C136 C -0.2643(4) 1.2406(4) 0.2882(4) 0.147(4) Uani 1 1 d DG U . . .
C138 C -0.2317(4) 1.2165(5) 0.3070(3) 0.144(5) Uani 1 1 d DG U . . .
H138 H -0.228870 1.223603 0.329763 0.173 Uiso 1 1 calc R U . . .
C140 C -0.2034(3) 1.1819(4) 0.2924(3) 0.138(4) Uani 1 1 d DG U . . .
H140 H -0.181092 1.165411 0.305242 0.166 Uiso 1 1 calc R U . . .
N7 N -0.1559(3) 1.3369(5) 0.4543(3) 0.127(4) Uani 1 1 d G U . . .
C131 C -0.1622(4) 1.3110(4) 0.4252(4) 0.136(4) Uani 1 1 d G U . . .
H131 H -0.150242 1.278736 0.422990 0.163 Uiso 1 1 calc R U . . .
C33 C -0.1858(4) 1.3323(6) 0.3992(3) 0.133(4) Uani 1 1 d G U . . .
H33 H -0.190097 1.314642 0.379322 0.159 Uiso 1 1 calc R U . . .
C133 C -0.2033(4) 1.3795(6) 0.4024(3) 0.135(4) Uani 1 1 d DG U . . .
C67 C -0.1970(4) 1.4054(4) 0.4316(4) 0.132(4) Uani 1 1 d G U . . .
H67 H -0.208910 1.437701 0.433769 0.159 Uiso 1 1 calc R U . . .
C135 C -0.1733(4) 1.3841(5) 0.4575(3) 0.133(4) Uani 1 1 d G U . . .
H135 H -0.169055 1.401797 0.477437 0.160 Uiso 1 1 calc R U . . .
N8 N -0.5923(3) 1.5576(4) 0.3854(3) 0.133(4) Uani 1 1 d G U . . .
C180 C -0.5773(4) 1.5614(4) 0.3530(3) 0.139(4) Uani 1 1 d DG U . . .
H180 H -0.590464 1.585015 0.338710 0.167 Uiso 1 1 calc R U . . .
C182 C -0.5430(4) 1.5307(5) 0.3416(3) 0.138(4) Uani 1 1 d G U . . .
H182 H -0.532717 1.533251 0.319525 0.165 Uiso 1 1 calc R U . . .
C184 C -0.5236(3) 1.4961(4) 0.3626(4) 0.138(4) Uani 1 1 d DG U . . .
C186 C -0.5386(4) 1.4923(4) 0.3949(4) 0.134(4) Uani 1 1 d G U . . .
H186 H -0.525436 1.468688 0.409262 0.160 Uiso 1 1 calc R U . . .
C188 C -0.5729(4) 1.5230(5) 0.4063(3) 0.133(4) Uani 1 1 d DG U . . .
H188 H -0.583182 1.520451 0.428447 0.159 Uiso 1 1 calc R U . . .
C1 C 0.0558(6) 1.3534(6) 0.4398(5) 0.115(3) Uani 1 1 d D U . . .
C2 C -0.2838(5) 1.6074(5) 0.2775(6) 0.124(6) Uani 1 1 d . U . . .
H2A H -0.307592 1.608164 0.294346 0.186 Uiso 1 1 calc R U . . .
H2B H -0.296738 1.595689 0.256660 0.186 Uiso 1 1 calc R U . . .
H2C H -0.271400 1.640461 0.274412 0.186 Uiso 1 1 calc R U . . .
C4 C -0.5709(4) 1.6817(6) 0.3977(4) 0.126(4) Uani 1 1 d G U . . .
C6 C -0.5481(6) 1.6634(4) 0.4251(4) 0.136(4) Uani 1 1 d DG U . . .
C8 C -0.5071(6) 1.6841(6) 0.4348(3) 0.138(4) Uani 1 1 d DG U . . .
C10 C -0.4887(4) 1.7231(6) 0.4172(4) 0.136(4) Uani 1 1 d G U . . .
C12 C -0.5115(6) 1.7414(4) 0.3898(4) 0.129(4) Uani 1 1 d DG U . . .
C14 C -0.5526(6) 1.7207(6) 0.3801(3) 0.125(4) Uani 1 1 d DG U . . .
C5 C -0.1297(7) 1.6268(7) 0.2532(5) 0.146(6) Uani 1 1 d D U . . .
H5A H -0.154370 1.648004 0.245354 0.219 Uiso 1 1 calc R U . . .
H5B H -0.100916 1.637318 0.243244 0.219 Uiso 1 1 calc R U . . .
H5C H -0.136016 1.592719 0.246867 0.219 Uiso 1 1 calc R U . . .
C7 C -0.5616(7) 1.6260(7) 0.4465(5) 0.145(4) Uani 1 1 d D U . . .
C13 C -0.0847(5) 1.0434(7) 0.2247(5) 0.152(7) Uani 1 1 d D U . . .
H13A H -0.069937 1.071836 0.234852 0.228 Uiso 1 1 calc R U . . .
H13B H -0.080470 1.044720 0.200744 0.228 Uiso 1 1 calc R U . . .
H13C H -0.071195 1.013127 0.233276 0.228 Uiso 1 1 calc R U . . .
C15 C 0.1786(5) 1.4808(7) 0.3693(4) 0.186(7) Uani 1 1 d D U . . .
H15A H 0.162126 1.512074 0.370518 0.279 Uiso 1 1 calc R U . . .
H15B H 0.162100 1.458176 0.354811 0.279 Uiso 1 1 calc R U . . .
H15C H 0.209148 1.486508 0.360493 0.279 Uiso 1 1 calc R U . . .
C17 C -0.2292(6) 1.3937(6) 0.3717(5) 0.134(5) Uani 1 1 d D U . . .
C21 C -0.2178(5) 1.3232(7) 0.5362(6) 0.138(6) Uani 1 1 d D U . . .
H21A H -0.236662 1.322491 0.516359 0.207 Uiso 1 1 calc R U . . .
H21B H -0.211941 1.357333 0.542559 0.207 Uiso 1 1 calc R U . . .
H21C H -0.233753 1.306351 0.554179 0.207 Uiso 1 1 calc R U . . .
C29 C 0.0748(6) 1.4302(6) 0.1899(5) 0.157(7) Uani 1 1 d D U . . .
H29A H 0.103861 1.446333 0.185110 0.236 Uiso 1 1 calc R U . . .
H29B H 0.076165 1.415149 0.211818 0.236 Uiso 1 1 calc R U . . .
H29C H 0.050303 1.454656 0.189449 0.236 Uiso 1 1 calc R U . . .
C31 C -0.1551(5) 1.4822(5) 0.2614(5) 0.137(5) Uani 1 1 d D U . . .
C36 C -0.2933(5) 1.6300(5) 0.3656(5) 0.137(5) Uani 1 1 d D U . . .
C37 C -0.0008(6) 1.5107(6) 0.5400(4) 0.154(5) Uani 1 1 d D U . . .
H37 H 0.008662 1.540471 0.550087 0.185 Uiso 1 1 calc R U . . .
C38 C -0.3282(4) 1.4811(4) 0.2814(4) 0.116(4) Uani 1 1 d G U . . .
C40 C -0.2954(5) 1.4461(5) 0.2739(3) 0.114(4) Uani 1 1 d DG U . . .
C42 C -0.2704(3) 1.4243(3) 0.2989(5) 0.118(4) Uani 1 1 d DG U . . .
C44 C -0.2781(4) 1.4375(5) 0.3315(4) 0.121(4) Uani 1 1 d G U . . .
C46 C -0.3109(5) 1.4725(5) 0.3390(3) 0.121(4) Uani 1 1 d DG U . . .
C48 C -0.3360(3) 1.4943(3) 0.3140(5) 0.120(4) Uani 1 1 d DG U . . .
C39 C -0.5027(6) 1.8148(7) 0.2450(6) 0.119(4) Uani 1 1 d D U . . .
H39 H -0.512023 1.838876 0.260537 0.143 Uiso 1 1 calc R U . . .
C43 C -0.1207(6) 1.3488(6) 0.5700(5) 0.137(6) Uani 1 1 d D U . . .
H43A H -0.087529 1.351795 0.571327 0.205 Uiso 1 1 calc R U . . .
H43B H -0.133131 1.343808 0.592168 0.205 Uiso 1 1 calc DR U . . .
H43C H -0.133511 1.378826 0.560532 0.205 Uiso 1 1 calc R U . . .
C45 C -0.2928(7) 1.9154(7) 0.1144(6) 0.145(6) Uani 1 1 d . U . . .
H45A H -0.263628 1.898497 0.111351 0.218 Uiso 1 1 calc R U . . .
H45B H -0.292054 1.946963 0.102781 0.218 Uiso 1 1 calc R U . . .
H45C H -0.317375 1.895094 0.105509 0.218 Uiso 1 1 calc R U . . .
C47 C -0.7084(5) 1.6412(4) 0.4057(4) 0.142(4) Uani 1 1 d DG U . . .
C189 C -0.7076(5) 1.6018(5) 0.4286(3) 0.141(4) Uani 1 1 d DG U . . .
C95 C -0.7026(5) 1.5573(4) 0.4107(4) 0.142(4) Uani 1 1 d DG U . . .
C191 C -0.7003(5) 1.5692(5) 0.3767(3) 0.144(4) Uani 1 1 d DG U . . .
C3 C -0.7039(5) 1.6210(5) 0.3736(3) 0.144(4) Uani 1 1 d DG U . . .
C49 C 0.0383(5) 1.3583(6) 0.1160(3) 0.171(4) Uani 1 1 d DG U . . .
C197 C 0.0388(5) 1.4010(5) 0.1360(4) 0.164(4) Uani 1 1 d DG U . . .
C99 C 0.0656(5) 1.3909(5) 0.1643(4) 0.154(4) Uani 1 1 d DG U . . .
C199 C 0.0817(4) 1.3419(5) 0.1617(4) 0.158(4) Uani 1 1 d DG U . . .
C25 C 0.0649(5) 1.3217(5) 0.1319(4) 0.166(4) Uani 1 1 d DG U . . .
C50 C -0.4156(6) 1.6986(7) 0.1255(5) 0.116(3) Uani 1 1 d D U . . .
C52 C -0.3559(6) 1.7783(7) 0.1456(5) 0.123(4) Uani 1 1 d D U . . .
C54 C -0.0628(4) 1.2423(6) 0.1981(4) 0.121(3) Uani 1 1 d DG U . . .
C56 C -0.0723(5) 1.2662(4) 0.1686(4) 0.125(3) Uani 1 1 d G U . . .
C58 C -0.1107(6) 1.2535(5) 0.1506(3) 0.125(4) Uani 1 1 d DG U . . .
C60 C -0.1397(4) 1.2169(6) 0.1621(4) 0.130(4) Uani 1 1 d DG U . . .
C62 C -0.1302(5) 1.1930(4) 0.1915(4) 0.121(3) Uani 1 1 d G U . . .
C64 C -0.0917(6) 1.2057(5) 0.2095(3) 0.116(3) Uani 1 1 d DG U . . .
C55 C -0.2341(5) 1.3852(5) 0.2891(6) 0.131(6) Uani 1 1 d D U . . .
H55A H -0.248976 1.358132 0.277401 0.197 Uiso 1 1 calc R U . . .
H55B H -0.219212 1.372607 0.308925 0.197 Uiso 1 1 calc R U . . .
H55C H -0.211315 1.400378 0.274681 0.197 Uiso 1 1 calc R U . . .
C57 C -0.6989(7) 1.5050(6) 0.4254(6) 0.171(7) Uani 1 1 d D U . . .
H57A H -0.726847 1.486725 0.420661 0.256 Uiso 1 1 calc R U . . .
H57B H -0.694578 1.507209 0.449264 0.256 Uiso 1 1 calc R U . . .
H57C H -0.672885 1.487975 0.415512 0.256 Uiso 1 1 calc R U . . .
C59 C -0.0052(7) 1.3529(8) 0.0949(6) 0.229(8) Uani 1 1 d D U . . .
H59A H -0.003288 1.322762 0.081731 0.343 Uiso 1 1 calc R U . . .
H59B H -0.031874 1.351119 0.109348 0.343 Uiso 1 1 calc R U . . .
H59C H -0.008141 1.381256 0.080213 0.343 Uiso 1 1 calc R U . . .
C61 C -0.5659(7) 1.5434(6) 0.1556(5) 0.163(7) Uani 1 1 d D U . . .
H61A H -0.537395 1.532870 0.165875 0.244 Uiso 1 1 calc R U . . .
H61B H -0.580578 1.515097 0.145053 0.244 Uiso 1 1 calc R U . . .
H61C H -0.586212 1.557023 0.172356 0.244 Uiso 1 1 calc R U . . .
C63 C -0.2263(5) 1.5455(5) 0.2339(6) 0.141(6) Uani 1 1 d . U . . .
H63A H -0.259096 1.543619 0.229919 0.211 Uiso 1 1 calc R U . . .
H63B H -0.211054 1.517983 0.222983 0.211 Uiso 1 1 calc R U . . .
H63C H -0.214475 1.576545 0.225201 0.211 Uiso 1 1 calc R U . . .
C65 C -0.0547(6) 1.5762(6) 0.3515(6) 0.143(5) Uani 1 1 d D U . . .
C66 C -0.0837(6) 1.1889(7) 0.2417(5) 0.118(3) Uani 1 1 d D U . . .
C68 C -0.4049(5) 1.7986(4) 0.1898(4) 0.114(3) Uani 1 1 d DG U . . .
C70 C -0.3943(4) 1.7660(6) 0.1646(4) 0.123(4) Uani 1 1 d DG U . . .
C72 C -0.4243(5) 1.7285(5) 0.1565(3) 0.115(3) Uani 1 1 d DG U . . .
C74 C -0.4650(5) 1.7235(4) 0.1736(4) 0.112(3) Uani 1 1 d DG U . . .
C76 C -0.4756(4) 1.7560(6) 0.1988(4) 0.117(4) Uani 1 1 d DG U . . .
C78 C -0.4456(5) 1.7936(5) 0.2069(3) 0.120(4) Uani 1 1 d DG U . . .
C69 C -0.2942(5) 1.2755(5) 0.3067(5) 0.158(5) Uani 1 1 d D U . . .
C73 C -0.2175(5) 1.7180(5) 0.2828(4) 0.135(5) Uani 1 1 d D U . . .
C75 C -0.0452(4) 1.2002(5) 0.2613(4) 0.123(4) Uani 1 1 d DG U . . .
C151 C -0.0353(4) 1.1780(4) 0.2913(4) 0.128(4) Uani 1 1 d G U . . .
H151 H -0.055308 1.153966 0.300146 0.154 Uiso 1 1 calc R U . . .
C19 C 0.0039(5) 1.1909(5) 0.3083(3) 0.123(4) Uani 1 1 d G U . . .
H19 H 0.010737 1.175713 0.328806 0.148 Uiso 1 1 calc R U . . .
C153 C 0.0332(4) 1.2260(5) 0.2954(4) 0.124(4) Uani 1 1 d G U . . .
H153 H 0.060062 1.234819 0.307026 0.149 Uiso 1 1 calc R U . . .
C77 C 0.0233(5) 1.2482(4) 0.2654(4) 0.123(4) Uani 1 1 d G U . . .
H77 H 0.043343 1.272177 0.256585 0.147 Uiso 1 1 calc R U . . .
C155 C -0.0159(5) 1.2353(5) 0.2484(3) 0.122(4) Uani 1 1 d DG U . . .
C79 C -0.5197(6) 1.7535(7) 0.2137(5) 0.119(4) Uani 1 1 d D U . . .
H79A H -0.541652 1.762734 0.196252 0.142 Uiso 1 1 calc R U . . .
H79B H -0.525195 1.718360 0.218476 0.142 Uiso 1 1 calc R U . . .
C80 C -0.0245(7) 1.2568(7) 0.2171(5) 0.124(4) Uani 1 1 d D U . . .
C81 C -0.3257(5) 1.3206(5) 0.3862(5) 0.174(7) Uani 1 1 d D U . . .
H81A H -0.344167 1.300705 0.401246 0.261 Uiso 1 1 calc R U . . .
H81B H -0.309195 1.345606 0.398867 0.261 Uiso 1 1 calc R U . . .
H81C H -0.303922 1.299510 0.374729 0.261 Uiso 1 1 calc R U . . .
C82 C -0.3540(5) 1.6731(4) 0.0896(4) 0.124(4) Uani 1 1 d G U . . .
H82 H -0.373001 1.646651 0.082954 0.148 Uiso 1 1 calc R U . . .
C84 C -0.3689(4) 1.7058(6) 0.1136(4) 0.120(4) Uani 1 1 d DG U . . .
C86 C -0.3411(5) 1.7444(5) 0.1233(3) 0.124(4) Uani 1 1 d DG U . . .
C88 C -0.2984(5) 1.7503(4) 0.1092(4) 0.129(4) Uani 1 1 d G U . . .
H88 H -0.279355 1.776707 0.115825 0.155 Uiso 1 1 calc R U . . .
C90 C -0.2835(4) 1.7176(5) 0.0852(4) 0.131(5) Uani 1 1 d G U . . .
H90 H -0.254310 1.721581 0.075525 0.157 Uiso 1 1 calc R U . . .
C92 C -0.3113(5) 1.6789(5) 0.0755(3) 0.130(5) Uani 1 1 d G U . . .
H92 H -0.301133 1.656552 0.059090 0.155 Uiso 1 1 calc R U . . .
C85 C -0.0534(5) 1.2646(7) 0.5489(6) 0.143(6) Uani 1 1 d D U . . .
H85A H -0.039554 1.233888 0.541396 0.215 Uiso 1 1 calc R U . . .
H85B H -0.038438 1.292442 0.538109 0.215 Uiso 1 1 calc R U . . .
H85C H -0.049829 1.267537 0.572825 0.215 Uiso 1 1 calc R U . . .
C87 C -0.3301(6) 1.9402(5) 0.2055(4) 0.124(4) Uani 1 1 d G U . . .
C175 C -0.2838(6) 1.9260(5) 0.2089(4) 0.127(4) Uani 1 1 d G U . . .
C11 C -0.2661(4) 1.9166(5) 0.1770(5) 0.130(4) Uani 1 1 d G U . . .
C177 C -0.3015(7) 1.9250(6) 0.1539(3) 0.131(4) Uani 1 1 d G U . . .
C89 C -0.3410(5) 1.9396(5) 0.1714(5) 0.124(4) Uani 1 1 d G U . . .
C91 C -0.4124(5) 1.7691(6) 0.5165(4) 0.167(4) Uani 1 1 d DG U . . .
C183 C -0.3687(4) 1.7657(5) 0.5019(4) 0.162(4) Uani 1 1 d DG U . . .
C23 C -0.3657(4) 1.8020(6) 0.4769(4) 0.158(4) Uani 1 1 d DG U . . .
C185 C -0.4077(5) 1.8279(5) 0.4761(4) 0.156(4) Uani 1 1 d DG U . . .
C93 C -0.4365(4) 1.8076(6) 0.5006(4) 0.166(4) Uani 1 1 d DG U . . .
C94 C -0.4927(7) 1.7808(6) 0.3715(5) 0.125(4) Uani 1 1 d D U . . .
H94 H -0.466855 1.798575 0.379010 0.151 Uiso 1 1 calc R U . . .
C96 C -0.2391(4) 1.5717(4) 0.3224(4) 0.125(4) Uani 1 1 d G U . . .
C98 C -0.2452(3) 1.5722(3) 0.2885(4) 0.124(4) Uani 1 1 d G U . . .
C100 C -0.2178(4) 1.5432(4) 0.2685(3) 0.129(4) Uani 1 1 d DG U . . .
C102 C -0.1843(4) 1.5137(3) 0.2824(4) 0.130(4) Uani 1 1 d DG U . . .
C104 C -0.1783(3) 1.5132(4) 0.3164(4) 0.131(4) Uani 1 1 d DG U . . .
C106 C -0.2057(5) 1.5422(5) 0.3364(3) 0.132(4) Uani 1 1 d DG U . . .
C97 C -0.7151(7) 1.6946(5) 0.4147(5) 0.155(7) Uani 1 1 d D U . . .
H97A H -0.695754 1.702839 0.433574 0.232 Uiso 1 1 calc R U . . .
H97B H -0.747072 1.700245 0.420539 0.232 Uiso 1 1 calc R U . . .
H97C H -0.706923 1.715402 0.395950 0.232 Uiso 1 1 calc R U . . .
C103 C -0.1640(6) 1.0483(7) 0.1725(4) 0.146(6) Uani 1 1 d D U . . .
H10A H -0.166613 1.081868 0.163952 0.219 Uiso 1 1 calc R U . . .
H10B H -0.186610 1.027297 0.161829 0.219 Uiso 1 1 calc R U . . .
H10C H -0.133392 1.035689 0.167939 0.219 Uiso 1 1 calc R U . . .
C105 C 0.1823(3) 1.4579(5) 0.4046(3) 0.152(4) Uani 1 1 d DG U . . .
C211 C 0.1818(3) 1.4834(4) 0.4351(4) 0.150(4) Uani 1 1 d DG U . . .
C53 C 0.1871(3) 1.4484(5) 0.4607(3) 0.151(3) Uani 1 1 d DG U . . .
C213 C 0.1908(3) 1.4013(4) 0.4460(3) 0.150(3) Uani 1 1 d DG U . . .
C107 C 0.1879(3) 1.4071(4) 0.4114(3) 0.152(4) Uani 1 1 d DG U . . .
C108 C 0.0385(5) 1.3098(4) 0.4252(3) 0.114(4) Uani 1 1 d DG U . . .
C110 C -0.0030(4) 1.2895(5) 0.4343(3) 0.111(4) Uani 1 1 d DG U . . .
C112 C -0.0175(3) 1.2456(5) 0.4202(3) 0.117(4) Uani 1 1 d G U . . .
H112 H -0.045848 1.231806 0.426432 0.141 Uiso 1 1 calc R U . . .
C114 C 0.0097(5) 1.2221(4) 0.3971(3) 0.124(4) Uani 1 1 d G U . . .
H114 H -0.000195 1.192082 0.387477 0.149 Uiso 1 1 calc R U . . .
C116 C 0.0512(4) 1.2423(5) 0.3880(3) 0.119(4) Uani 1 1 d G U . . .
H116 H 0.069754 1.226181 0.372192 0.143 Uiso 1 1 calc R U . . .
C118 C 0.0657(3) 1.2862(5) 0.4021(3) 0.120(4) Uani 1 1 d G U . . .
H118 H 0.094049 1.300004 0.395863 0.145 Uiso 1 1 calc R U . . .
C111 C -0.3721(6) 1.3443(6) 0.2662(4) 0.160(7) Uani 1 1 d D U . . .
H11D H -0.400894 1.333414 0.256425 0.240 Uiso 1 1 calc R U . . .
H11E H -0.349652 1.317773 0.264618 0.240 Uiso 1 1 calc R U . . .
H11F H -0.360907 1.373169 0.254283 0.240 Uiso 1 1 calc DR U . . .
C113 C -0.4148(7) 1.8710(7) 0.4529(5) 0.176(7) Uani 1 1 d D U . . .
H11G H -0.392636 1.869229 0.434952 0.264 Uiso 1 1 calc R U . . .
H11H H -0.410697 1.901773 0.465038 0.264 Uiso 1 1 calc R U . . .
H11I H -0.445663 1.869655 0.443867 0.264 Uiso 1 1 calc R U . . .
C115 C -0.2611(5) 1.0570(7) 0.2131(5) 0.141(6) Uani 1 1 d D U . . .
H11J H -0.277248 1.086414 0.220573 0.212 Uiso 1 1 calc R U . . .
H11K H -0.277336 1.027643 0.220541 0.212 Uiso 1 1 calc R U . . .
H11L H -0.259516 1.057036 0.188960 0.212 Uiso 1 1 calc R U . . .
C117 C 0.1771(7) 1.5386(5) 0.4418(6) 0.173(7) Uani 1 1 d D U . . .
H11A H 0.146101 1.549178 0.436598 0.259 Uiso 1 1 calc R U . . .
H11B H 0.198787 1.556660 0.428036 0.259 Uiso 1 1 calc R U . . .
H11C H 0.183557 1.545114 0.465055 0.259 Uiso 1 1 calc R U . . .
C119 C 0.0759(8) 1.2743(7) 0.1127(6) 0.213(8) Uani 1 1 d D U . . .
H11M H 0.057143 1.272831 0.092757 0.320 Uiso 1 1 calc R U . . .
H11N H 0.108167 1.274312 0.106459 0.320 Uiso 1 1 calc R U . . .
H11O H 0.069537 1.245715 0.126536 0.320 Uiso 1 1 calc R U . . .
C120 C 0.0293(4) 1.3751(5) 0.4657(3) 0.115(3) Uani 1 1 d DG U . . .
C122 C 0.0448(3) 1.4171(5) 0.4816(3) 0.120(4) Uani 1 1 d G U . . .
C124 C 0.0162(4) 1.4426(4) 0.5027(3) 0.131(4) Uani 1 1 d DG U . . .
C126 C -0.0280(4) 1.4263(4) 0.5079(3) 0.131(4) Uani 1 1 d DG U . . .
C128 C -0.0435(3) 1.3843(5) 0.4920(4) 0.119(4) Uani 1 1 d G U . . .
C130 C -0.0149(5) 1.3587(4) 0.4709(3) 0.116(3) Uani 1 1 d DG U . . .
C121 C -0.6060(6) 1.6566(6) 0.1518(5) 0.149(6) Uani 1 1 d D U . . .
H12A H -0.600195 1.645050 0.174291 0.224 Uiso 1 1 calc R U . . .
H12B H -0.636800 1.647175 0.145167 0.224 Uiso 1 1 calc R U . . .
H12C H -0.602966 1.692382 0.151026 0.224 Uiso 1 1 calc R U . . .
C123 C -0.4945(6) 1.5324(6) 0.0933(6) 0.153(7) Uani 1 1 d D U . . .
H12D H -0.497489 1.524560 0.069816 0.229 Uiso 1 1 calc R U . . .
H12E H -0.503691 1.503917 0.106425 0.229 Uiso 1 1 calc R U . . .
H12F H -0.462746 1.540637 0.098165 0.229 Uiso 1 1 calc R U . . .
C125 C -0.1427(4) 1.4811(5) 0.3344(5) 0.135(6) Uani 1 1 d D U . . .
H12J H -0.120116 1.469094 0.318574 0.202 Uiso 1 1 calc R U . . .
H12K H -0.157941 1.453053 0.344786 0.202 Uiso 1 1 calc DR U . . .
H12L H -0.127411 1.500715 0.351356 0.202 Uiso 1 1 calc DR U . . .
C127 C -0.1939(6) 1.5362(6) 0.3727(4) 0.161(7) Uani 1 1 d D U . . .
H12M H -0.166443 1.555099 0.377752 0.241 Uiso 1 1 calc R U . . .
H12N H -0.188595 1.501413 0.377531 0.241 Uiso 1 1 calc DR U . . .
H12O H -0.219247 1.548244 0.386169 0.241 Uiso 1 1 calc R U . . .
C129 C -0.0639(6) 1.5654(7) 0.2895(5) 0.157(7) Uani 1 1 d D U . . .
H12G H -0.034284 1.564663 0.300588 0.236 Uiso 1 1 calc R U . . .
H12H H -0.059558 1.573699 0.266227 0.236 Uiso 1 1 calc R U . . .
H12I H -0.078368 1.533113 0.291257 0.236 Uiso 1 1 calc R U . . .
C137 C -0.4507(5) 1.4365(5) 0.3547(6) 0.152(5) Uani 1 1 d D U . . .
C139 C -0.4184(3) 1.4035(3) 0.3452(3) 0.150(4) Uani 1 1 d DG U . . .
C35 C -0.4126(3) 1.3917(3) 0.3122(3) 0.151(4) Uani 1 1 d DG U . . .
C141 C -0.3798(3) 1.3577(4) 0.3029(3) 0.151(4) Uani 1 1 d DG U . . .
C71 C -0.3527(3) 1.3355(3) 0.3267(3) 0.150(4) Uani 1 1 d DG U . . .
C143 C -0.3585(3) 1.3472(3) 0.3597(3) 0.152(4) Uani 1 1 d DG U . . .
C9 C -0.3913(3) 1.3812(3) 0.3690(3) 0.153(4) Uani 1 1 d DG U . . .
C142 C -0.4798(7) 1.6669(7) 0.4619(5) 0.142(4) Uani 1 1 d D U . . .
C144 C 0.0294(6) 1.4836(6) 0.5208(5) 0.150(5) Uani 1 1 d D U . . .
H144 H 0.060362 1.493490 0.520104 0.181 Uiso 1 1 calc R U . . .
C145 C -0.1347(5) 1.4597(5) 0.2414(6) 0.141(5) Uani 1 1 d D U . . .
C146 C -0.4606(6) 1.8251(7) 0.2312(5) 0.118(4) Uani 1 1 d D U . . .
H146 H -0.443040 1.852465 0.238169 0.142 Uiso 1 1 calc R U . . .
C147 C -0.0287(6) 1.3117(6) 0.4581(5) 0.111(3) Uani 1 1 d D U . . .
C148 C -0.5741(7) 1.7350(7) 0.3538(5) 0.128(4) Uani 1 1 d D U . . .
H148 H -0.602858 1.720983 0.348868 0.153 Uiso 1 1 calc R U . . .
C149 C -0.1866(7) 1.2276(7) 0.1132(6) 0.137(5) Uani 1 1 d D U . . .
H149 H -0.213898 1.219802 0.101729 0.164 Uiso 1 1 calc R U . . .
C150 C -0.5406(6) 1.6122(6) 0.4768(4) 0.148(4) Uani 1 1 d DG U . . .
C152 C -0.5582(4) 1.5745(6) 0.4960(5) 0.158(5) Uani 1 1 d G U . . .
H152 H -0.588431 1.563259 0.492478 0.190 Uiso 1 1 calc R U . . .
C154 C -0.5316(6) 1.5532(4) 0.5204(4) 0.160(5) Uani 1 1 d G U . . .
H154 H -0.543595 1.527393 0.533554 0.192 Uiso 1 1 calc R U . . .
C156 C -0.4874(6) 1.5696(6) 0.5256(4) 0.162(5) Uani 1 1 d G U . . .
H156 H -0.469169 1.554993 0.542232 0.194 Uiso 1 1 calc R U . . .
C158 C -0.4698(4) 1.6073(6) 0.5063(5) 0.156(5) Uani 1 1 d G U . . .
H158 H -0.439578 1.618459 0.509833 0.187 Uiso 1 1 calc R U . . .
C160 C -0.4964(6) 1.6286(5) 0.4819(4) 0.147(4) Uani 1 1 d DG U . . .
C157 C -0.5331(6) 1.7787(7) 0.2415(5) 0.116(4) Uani 1 1 d D U . . .
H157 H -0.558506 1.771922 0.255207 0.140 Uiso 1 1 calc R U . . .
C159 C -0.1042(7) 1.6315(8) 0.3931(5) 0.170(7) Uani 1 1 d D U . . .
H15D H -0.104129 1.597072 0.400135 0.255 Uiso 1 1 calc R U . . .
H15E H -0.126972 1.649729 0.405869 0.255 Uiso 1 1 calc R U . . .
H15F H -0.074084 1.645844 0.396897 0.255 Uiso 1 1 calc R U . . .
C161 C -0.1795(6) 1.6956(7) 0.3614(6) 0.144(6) Uani 1 1 d D U . . .
H16A H -0.196957 1.715974 0.346034 0.215 Uiso 1 1 calc R U . . .
H16B H -0.161241 1.716663 0.375761 0.215 Uiso 1 1 calc R U . . .
H16C H -0.200461 1.675930 0.374756 0.215 Uiso 1 1 calc R U . . .
C162 C -0.2682(6) 1.6032(6) 0.3480(6) 0.134(4) Uani 1 1 d . U . . .
C163 C -0.1261(5) 1.2339(4) 0.5172(4) 0.116(4) Uani 1 1 d DG U . . .
C41 C -0.1037(4) 1.2647(5) 0.5403(4) 0.121(4) Uani 1 1 d DG U . . .
C165 C -0.1333(5) 1.3043(5) 0.5480(3) 0.124(4) Uani 1 1 d DG U . . .
C83 C -0.1740(4) 1.2980(5) 0.5297(4) 0.116(4) Uani 1 1 d DG U . . .
C167 C -0.1696(4) 1.2545(5) 0.5106(3) 0.114(4) Uani 1 1 d DG U . . .
C164 C -0.5559(7) 1.7708(7) 0.3324(6) 0.130(5) Uani 1 1 d D U . . .
H164 H -0.570950 1.779901 0.312590 0.156 Uiso 1 1 calc R U . . .
C166 C -0.3212(6) 1.4907(6) 0.3739(4) 0.133(6) Uani 1 1 d D U . . .
H16D H -0.327327 1.462540 0.388270 0.200 Uiso 1 1 calc R U . . .
H16E H -0.347823 1.512306 0.373466 0.200 Uiso 1 1 calc R U . . .
H16F H -0.294894 1.508924 0.382403 0.200 Uiso 1 1 calc R U . . .
C168 C -0.5142(6) 1.7922(7) 0.3418(6) 0.123(4) Uani 1 1 d D U . . .
H168 H -0.500295 1.815265 0.327457 0.147 Uiso 1 1 calc R U . . .
C169 C -0.2088(5) 1.2395(6) 0.4914(5) 0.117(5) Uani 1 1 d D U . . .
H16G H -0.223182 1.210953 0.501789 0.176 Uiso 1 1 calc R U . . .
H16H H -0.199021 1.230743 0.469075 0.176 Uiso 1 1 calc R U . . .
H16I H -0.230671 1.266582 0.490294 0.176 Uiso 1 1 calc R U . . .
C170 C -0.3540(6) 1.5033(6) 0.2561(6) 0.120(4) Uani 1 1 d . U . . .
C171 C -0.1048(5) 1.1881(5) 0.5023(5) 0.118(5) Uani 1 1 d D U . . .
H17A H -0.096725 1.194436 0.479296 0.177 Uiso 1 1 calc R U . . .
H17B H -0.126523 1.160834 0.503372 0.177 Uiso 1 1 calc R U . . .
H17C H -0.077286 1.179383 0.514682 0.177 Uiso 1 1 calc R U . . .
C172 C -0.1556(7) 1.2650(7) 0.1037(6) 0.137(5) Uani 1 1 d D U . . .
H172 H -0.160771 1.281278 0.083382 0.165 Uiso 1 1 calc R U . . .
C173 C -0.3871(6) 1.9405(7) 0.1496(6) 0.141(6) Uani 1 1 d . U . . .
H17D H -0.379533 1.948207 0.126670 0.211 Uiso 1 1 calc R U . . .
H17E H -0.407817 1.965557 0.158256 0.211 Uiso 1 1 calc R U . . .
H17F H -0.401876 1.908259 0.150617 0.211 Uiso 1 1 calc R U . . .
C174 C -0.1722(6) 1.2049(8) 0.1403(5) 0.133(4) Uani 1 1 d D U . . .
H174 H -0.187580 1.175027 0.145102 0.160 Uiso 1 1 calc R U . . .
C176 C -0.3743(5) 1.5322(5) 0.3139(6) 0.130(6) Uani 1 1 d D U . . .
H17G H -0.361416 1.565152 0.311217 0.196 Uiso 1 1 calc R U . . .
H17H H -0.390878 1.530476 0.334820 0.196 Uiso 1 1 calc R U . . .
H17I H -0.395190 1.525288 0.295705 0.196 Uiso 1 1 calc R U . . .
C178 C -0.1180(6) 1.2792(7) 0.1223(5) 0.126(4) Uani 1 1 d D U . . .
H178 H -0.098629 1.305334 0.115616 0.151 Uiso 1 1 calc R U . . .
C179 C -0.2200(6) 1.9013(7) 0.1759(6) 0.144(6) Uani 1 1 d . U . . .
H17J H -0.210954 1.895771 0.153017 0.216 Uiso 1 1 calc R U . . .
H17K H -0.200637 1.926853 0.185605 0.216 Uiso 1 1 calc R U . . .
H17L H -0.216462 1.870779 0.188446 0.216 Uiso 1 1 calc R U . . .
C181 C -0.2570(7) 1.9240(7) 0.2384(6) 0.155(7) Uani 1 1 d . U . . .
H18A H -0.275408 1.910744 0.256447 0.233 Uiso 1 1 calc R U . . .
H18B H -0.246600 1.957117 0.244152 0.233 Uiso 1 1 calc R U . . .
H18C H -0.230542 1.902725 0.234792 0.233 Uiso 1 1 calc R U . . .
C187 C -0.3242(6) 1.8218(7) 0.4582(5) 0.176(7) Uani 1 1 d D U . . .
H18D H -0.298372 1.799471 0.461392 0.264 Uiso 1 1 calc R U . . .
H18E H -0.331309 1.824010 0.434684 0.264 Uiso 1 1 calc R U . . .
H18F H -0.316314 1.854412 0.466603 0.264 Uiso 1 1 calc R U . . .
C190 C -0.2873(6) 1.4327(6) 0.2385(4) 0.128(6) Uani 1 1 d D U . . .
H19A H -0.312533 1.444861 0.224984 0.192 Uiso 1 1 calc R U . . .
H19B H -0.285385 1.396870 0.236438 0.192 Uiso 1 1 calc R U . . .
H19C H -0.258782 1.447496 0.230981 0.192 Uiso 1 1 calc R U . . .
C192 C -0.1866(5) 1.6886(5) 0.2853(5) 0.141(5) Uani 1 1 d D U . . .
C193 C -0.7122(7) 1.6094(6) 0.4653(4) 0.155(6) Uani 1 1 d D U . . .
H19D H -0.702634 1.579515 0.476809 0.232 Uiso 1 1 calc R U . . .
H19E H -0.744005 1.616603 0.470674 0.232 Uiso 1 1 calc R U . . .
H19F H -0.692963 1.636928 0.472127 0.232 Uiso 1 1 calc R U . . .
C195 C -0.7018(7) 1.6511(6) 0.3415(4) 0.153(6) Uani 1 1 d D U . . .
H19G H -0.692694 1.629705 0.323261 0.229 Uiso 1 1 calc R U . . .
H19H H -0.679476 1.677647 0.343941 0.229 Uiso 1 1 calc R U . . .
H19I H -0.731783 1.665192 0.336900 0.229 Uiso 1 1 calc R U . . .
C201 C -0.1721(4) 1.0486(5) 0.2095(3) 0.133(4) Uani 1 1 d DG U . . .
C101 C -0.2131(4) 1.0569(5) 0.2272(3) 0.131(4) Uani 1 1 d DG U . . .
C203 C -0.2024(4) 1.0576(5) 0.2613(3) 0.130(4) Uani 1 1 d DG U . . .
C51 C -0.1549(4) 1.0498(5) 0.2647(3) 0.130(4) Uani 1 1 d DG U . . .
C205 C -0.1362(3) 1.0442(5) 0.2327(3) 0.131(4) Uani 1 1 d DG U . . .
C207 C -0.1252(6) 1.0554(7) 0.2963(4) 0.141(6) Uani 1 1 d D U . . .
H20A H -0.119436 1.090281 0.300437 0.212 Uiso 1 1 calc R U . . .
H20B H -0.096225 1.038233 0.293182 0.212 Uiso 1 1 calc R U . . .
H20C H -0.141349 1.041152 0.315133 0.212 Uiso 1 1 calc R U . . .
C209 C -0.2377(5) 1.0549(7) 0.2897(4) 0.147(7) Uani 1 1 d D U . . .
H20D H -0.225656 1.071904 0.309050 0.221 Uiso 1 1 calc R U . . .
H20E H -0.243624 1.020449 0.295148 0.221 Uiso 1 1 calc R U . . .
H20F H -0.266083 1.070651 0.282680 0.221 Uiso 1 1 calc R U . . .
C214 C -0.3745(6) 1.5219(7) 0.2327(6) 0.122(4) Uani 1 1 d . U . . .
C215 C -0.5255(5) 1.5770(4) 0.1018(4) 0.141(4) Uani 1 1 d DG U . . .
C27 C -0.5226(5) 1.6222(5) 0.0845(3) 0.144(4) Uani 1 1 d DG U . . .
C217 C -0.5509(5) 1.6568(4) 0.1008(4) 0.142(4) Uani 1 1 d DG U . . .
C109 C -0.5712(5) 1.6331(5) 0.1282(3) 0.140(4) Uani 1 1 d DG U . . .
C219 C -0.5556(5) 1.5837(4) 0.1288(3) 0.142(4) Uani 1 1 d DG U . . .
C216 C -0.0567(5) 1.4514(7) 0.5280(5) 0.150(5) Uani 1 1 d D U . . .
H216 H -0.086625 1.439231 0.531107 0.180 Uiso 1 1 calc R U . . .
C218 C -0.0441(6) 1.4941(7) 0.5441(5) 0.155(5) Uani 1 1 d D U . . .
H218 H -0.065062 1.511267 0.557669 0.186 Uiso 1 1 calc R U . . .
C220 C -0.0874(4) 1.6044(4) 0.3390(3) 0.143(4) Uani 1 1 d DG U . . .
C222 C -0.0928(4) 1.6023(5) 0.3050(3) 0.139(4) Uani 1 1 d DG U . . .
C224 C -0.1263(5) 1.6303(5) 0.2898(3) 0.136(4) Uani 1 1 d DG U . . .
C226 C -0.1544(4) 1.6603(4) 0.3086(5) 0.136(4) Uani 1 1 d DG U . . .
C228 C -0.1490(5) 1.6624(5) 0.3425(4) 0.140(4) Uani 1 1 d DG U . . .
C230 C -0.1155(5) 1.6344(5) 0.3577(3) 0.143(4) Uani 1 1 d DG U . . .
C221 C -0.3994(5) 1.3956(5) 0.4058(4) 0.155(6) Uani 1 1 d D U . . .
H22D H -0.427855 1.380931 0.413549 0.233 Uiso 1 1 calc R U . . .
H22E H -0.401198 1.431439 0.407747 0.233 Uiso 1 1 calc R U . . .
H22F H -0.374041 1.383484 0.419258 0.233 Uiso 1 1 calc R U . . .
C223 C -0.4392(6) 1.4118(6) 0.2837(5) 0.158(7) Uani 1 1 d D U . . .
H22G H -0.464482 1.389590 0.278581 0.237 Uiso 1 1 calc R U . . .
H22H H -0.419257 1.414595 0.264439 0.237 Uiso 1 1 calc DR U . . .
H22I H -0.451201 1.444260 0.289382 0.237 Uiso 1 1 calc R U . . .
C225 C -0.3746(6) 1.9494(7) 0.2245(6) 0.141(6) Uani 1 1 d . U . . .
H22A H -0.395596 1.922000 0.220749 0.211 Uiso 1 1 calc R U . . .
H22B H -0.388624 1.979972 0.216690 0.211 Uiso 1 1 calc R U . . .
H22C H -0.368050 1.952184 0.248047 0.211 Uiso 1 1 calc R U . . .
C227 C -0.6863(8) 1.5363(7) 0.3486(5) 0.174(7) Uani 1 1 d D U . . .
H22J H -0.653761 1.529054 0.350208 0.262 Uiso 1 1 calc R U . . .
H22K H -0.692514 1.552959 0.327653 0.262 Uiso 1 1 calc R U . . .
H22L H -0.703682 1.505629 0.349563 0.262 Uiso 1 1 calc R U . . .
C229 C -0.4871(5) 1.8234(8) 0.5043(7) 0.189(8) Uani 1 1 d D U . . .
H22M H -0.502527 1.820133 0.483028 0.284 Uiso 1 1 calc R U . . .
H22N H -0.488469 1.857674 0.511579 0.284 Uiso 1 1 calc R U . . .
H22O H -0.502081 1.802376 0.520578 0.284 Uiso 1 1 calc R U . . .
C231 C 0.1203(6) 1.3301(7) 0.1859(5) 0.180(7) Uani 1 1 d D U . . .
H23J H 0.121966 1.355855 0.202701 0.269 Uiso 1 1 calc R U . . .
H23K H 0.149203 1.328456 0.173959 0.269 Uiso 1 1 calc R U . . .
H23L H 0.114294 1.298410 0.196502 0.269 Uiso 1 1 calc R U . . .
C232 C -0.0265(7) 1.5555(7) 0.3681(6) 0.132(5) Uani 1 1 d . U . . .
C233 C 0.1982(5) 1.3556(6) 0.4654(5) 0.172(7) Uani 1 1 d D U . . .
H23A H 0.212032 1.363859 0.486656 0.258 Uiso 1 1 calc R U . . .
H23B H 0.218555 1.333550 0.453238 0.258 Uiso 1 1 calc R U . . .
H23C H 0.168995 1.339176 0.469098 0.258 Uiso 1 1 calc R U . . .
C234 C -0.4790(5) 1.4651(5) 0.3598(6) 0.145(5) Uani 1 1 d D U . . .
C235 C 0.1919(5) 1.3675(7) 0.3848(5) 0.188(7) Uani 1 1 d D U . . .
H23D H 0.188437 1.382519 0.363075 0.283 Uiso 1 1 calc R U . . .
H23E H 0.221876 1.351814 0.386372 0.283 Uiso 1 1 calc R U . . .
H23F H 0.168135 1.342781 0.388106 0.283 Uiso 1 1 calc R U . . .
C237 C 0.1879(5) 1.4589(7) 0.4977(4) 0.204(7) Uani 1 1 d D U . . .
H23G H 0.178959 1.429313 0.509746 0.305 Uiso 1 1 calc R U . . .
H23H H 0.166589 1.485575 0.502709 0.305 Uiso 1 1 calc R U . . .
H23I H 0.218682 1.468660 0.504260 0.305 Uiso 1 1 calc R U . . .
C239 C 0.0123(7) 1.4471(6) 0.1262(6) 0.193(8) Uani 1 1 d D U . . .
H23M H 0.019138 1.473695 0.141699 0.290 Uiso 1 1 calc R U . . .
H23N H -0.020381 1.440120 0.126611 0.290 Uiso 1 1 calc R U . . .
H23O H 0.021241 1.457151 0.103930 0.290 Uiso 1 1 calc R U . . .
C241 C -0.3331(6) 1.7261(7) 0.5088(7) 0.207(8) Uani 1 1 d D U . . .
H24G H -0.314339 1.721146 0.489140 0.311 Uiso 1 1 calc R U . . .
H24H H -0.348444 1.695302 0.514492 0.311 Uiso 1 1 calc R U . . .
H24I H -0.313809 1.736521 0.527159 0.311 Uiso 1 1 calc R U . . .
C243 C -0.4879(7) 1.6296(7) 0.0552(5) 0.175(7) Uani 1 1 d D U . . .
H24A H -0.496619 1.658641 0.042428 0.262 Uiso 1 1 calc R U . . .
H24B H -0.488249 1.600608 0.040991 0.262 Uiso 1 1 calc R U . . .
H24C H -0.457207 1.634307 0.064166 0.262 Uiso 1 1 calc R U . . .
C245 C -0.5656(7) 1.7084(6) 0.0883(6) 0.157(7) Uani 1 1 d D U . . .
H24D H -0.542583 1.732679 0.094607 0.235 Uiso 1 1 calc R U . . .
H24E H -0.594865 1.717204 0.098218 0.235 Uiso 1 1 calc R U . . .
H24F H -0.568589 1.707731 0.064307 0.235 Uiso 1 1 calc R U . . .
C246 C -0.2517(6) 1.4182(7) 0.3604(7) 0.131(4) Uani 1 1 d . U . . .
C247 C -0.4309(7) 1.7290(7) 0.5405(6) 0.204(8) Uani 1 1 d D U . . .
H24J H -0.448375 1.744755 0.558153 0.306 Uiso 1 1 calc R U . . .
H24K H -0.405262 1.710923 0.550130 0.306 Uiso 1 1 calc R U . . .
H24L H -0.450498 1.706240 0.528437 0.306 Uiso 1 1 calc R U . . .
C248 C -0.3196(5) 1.3026(5) 0.3186(6) 0.162(5) Uani 1 1 d D U . . .


_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 O4 2.026(12) . ?
Rh1 O14 2.003(11) . ?
Rh1 N7 2.200(11) . ?
Rh1 C163 2.170(13) . ?
Rh1 C41 2.152(14) . ?
Rh1 C165 2.106(14) . ?
Rh1 C83 2.097(14) . ?
Rh1 C167 2.137(13) . ?
Rh2 O7 2.109(12) . ?
Rh2 O9 2.142(14) . ?
Rh2 N2 2.098(9) . ?
Rh2 C87 2.179(13) . ?
Rh2 C175 2.167(14) . ?
Rh2 C11 2.211(13) . ?
Rh2 C177 2.250(15) . ?
Rh2 C89 2.231(12) . ?
Rh3 O2 2.038(14) . ?
Rh3 O13 2.049(13) . ?
Rh3 N5 2.107(10) . ?
Rh3 C215 2.132(14) . ?
Rh3 C27 2.050(15) . ?
Rh3 C217 2.054(14) . ?
Rh3 C109 2.138(14) . ?
Rh3 C219 2.185(14) . ?
Rh4 O6 2.039(13) . ?
Rh4 O12 2.082(14) . ?
Rh4 N1 2.167(10) . ?
Rh4 C105 2.246(10) . ?
Rh4 C211 2.119(9) . ?
Rh4 C53 1.921(10) . ?
Rh4 C213 1.938(9) . ?
Rh4 C107 2.143(10) . ?
Rh5 O3 2.096(13) . ?
Rh5 O16 2.136(14) . ?
Rh5 N6 2.141(8) . ?
Rh5 C201 2.178(13) . ?
Rh5 C101 2.166(13) . ?
Rh5 C203 2.097(13) . ?
Rh5 C51 2.066(13) . ?
Rh5 C205 2.117(12) . ?
Rh6 O8 2.118(13) . ?
Rh6 O15 1.999(17) . ?
Rh6 N8 2.172(8) . ?
Rh6 C47 2.091(13) . ?
Rh6 C189 2.050(15) . ?
Rh6 C95 2.098(13) . ?
Rh6 C191 2.166(14) . ?
Rh6 C3 2.162(15) . ?
Rh7 O5 2.060(13) . ?
Rh7 O11 2.051(15) . ?
Rh7 N3 2.074(10) . ?
Rh7 C49 2.351(15) . ?
Rh7 C197 2.370(14) . ?
Rh7 C99 2.181(12) . ?
Rh7 C199 2.034(13) . ?
Rh7 C25 2.148(15) . ?
Rh8 O1 2.212(15) . ?
Rh8 O10 2.121(14) . ?
Rh8 N4 2.014(11) . ?
Rh8 C91 2.185(16) . ?
Rh8 C183 1.954(17) . ?
Rh8 C23 2.007(16) . ?
Rh8 C185 2.263(15) . ?
Rh8 C93 2.362(15) . ?
O1 C10 1.358(16) . ?
O2 C74 1.371(13) . ?
O3 C66 1.36(2) . ?
O4 C147 1.384(18) . ?
O5 C56 1.350(15) . ?
O6 C1 1.329(18) . ?
O7 C68 1.237(14) . ?
O8 C4 1.216(14) . ?
O9 C52 1.252(19) . ?
O10 C142 1.53(2) . ?
O11 C80 1.369(19) . ?
O12 C122 1.221(14) . ?
O13 C50 1.196(18) . ?
O14 C128 1.378(14) . ?
O15 C7 1.366(16) . ?
O16 C62 1.321(14) . ?
N1 C16 1.3900 . ?
N1 C24 1.3900 . ?
C16 H16 0.9500 . ?
C16 C18 1.3900 . ?
C18 H18 0.9500 . ?
C18 C20 1.3900 . ?
C20 C22 1.3900 . ?
C20 C232 1.54(2) . ?
C22 H22 0.9500 . ?
C22 C24 1.3900 . ?
C24 H24 0.9500 . ?
N2 C194 1.3900 . ?
N2 C202 1.3900 . ?
C194 H194 0.9500 . ?
C194 C196 1.3900 . ?
C196 H196 0.9500 . ?
C196 C198 1.3900 . ?
C198 C200 1.3900 . ?
C198 C73 1.451(12) . ?
C200 H200 0.9500 . ?
C200 C202 1.3900 . ?
C202 H202 0.9500 . ?
N3 C236 1.3900 . ?
N3 C244 1.3900 . ?
C236 H236 0.9500 . ?
C236 C238 1.3900 . ?
C238 H238 0.9500 . ?
C238 C240 1.3900 . ?
C240 C242 1.3900 . ?
C240 C145 1.477(16) . ?
C242 H242 0.9500 . ?
C242 C244 1.3900 . ?
C244 H244 0.9500 . ?
N4 C26 1.3900 . ?
N4 C34 1.3900 . ?
C26 H26 0.9500 . ?
C26 C28 1.3900 . ?
C28 H28 0.9500 . ?
C28 C30 1.3900 . ?
C30 C32 1.3900 . ?
C30 C36 1.351(14) . ?
C32 H32 0.9500 . ?
C32 C34 1.3900 . ?
C34 H34 0.9500 . ?
N5 C204 1.3900 . ?
N5 C212 1.3900 . ?
C204 H204 0.9500 . ?
C204 C206 1.3900 . ?
C206 H206 0.9500 . ?
C206 C208 1.3900 . ?
C208 C210 1.3900 . ?
C208 C214 1.44(2) . ?
C210 H210 0.9500 . ?
C210 C212 1.3900 . ?
C212 H212 0.9500 . ?
N6 C132 1.3900 . ?
N6 C140 1.3900 . ?
C132 H132 0.9500 . ?
C132 C134 1.3900 . ?
C134 H134 0.9500 . ?
C134 C136 1.3900 . ?
C136 C138 1.3900 . ?
C136 C69 1.497(12) . ?
C138 H138 0.9500 . ?
C138 C140 1.3900 . ?
C140 H140 0.9500 . ?
N7 C131 1.3900 . ?
N7 C135 1.3900 . ?
C131 H131 0.9500 . ?
C131 C33 1.3900 . ?
C33 H33 0.9500 . ?
C33 C133 1.3900 . ?
C133 C67 1.3900 . ?
C133 C17 1.511(18) . ?
C67 H67 0.9500 . ?
C67 C135 1.3900 . ?
C135 H135 0.9500 . ?
N8 C180 1.3900 . ?
N8 C188 1.3900 . ?
C180 H180 0.9500 . ?
C180 C182 1.3900 . ?
C182 H182 0.9500 . ?
C182 C184 1.3900 . ?
C184 C186 1.3900 . ?
C184 C234 1.564(14) . ?
C186 H186 0.9500 . ?
C186 C188 1.3900 . ?
C188 H188 0.9500 . ?
C1 C108 1.422(15) . ?
C1 C120 1.436(17) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C2 C98 1.551(18) . ?
C4 C6 1.3900 . ?
C4 C14 1.3900 . ?
C6 C8 1.3900 . ?
C6 C7 1.398(17) . ?
C8 C10 1.3900 . ?
C8 C142 1.439(18) . ?
C10 C12 1.3900 . ?
C12 C14 1.3900 . ?
C12 C94 1.419(16) . ?
C14 C148 1.301(17) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C5 C224 1.495(17) . ?
C7 C150 1.424(18) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C13 C205 1.547(12) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C15 C105 1.567(13) . ?
C17 C246 1.05(2) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C21 C83 1.484(15) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C29 C99 1.519(9) . ?
C31 C102 1.485(13) . ?
C31 C145 1.182(17) . ?
C36 C162 1.26(2) . ?
C37 H37 0.9500 . ?
C37 C144 1.393(16) . ?
C37 C218 1.360(16) . ?
C38 C40 1.3900 . ?
C38 C48 1.3900 . ?
C38 C170 1.41(2) . ?
C40 C42 1.3900 . ?
C40 C190 1.502(17) . ?
C42 C44 1.3900 . ?
C42 C55 1.559(15) . ?
C44 C46 1.3900 . ?
C44 C246 1.50(3) . ?
C46 C48 1.3900 . ?
C46 C166 1.532(17) . ?
C48 C176 1.527(15) . ?
C39 H39 0.9500 . ?
C39 C146 1.386(17) . ?
C39 C157 1.335(16) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C43 C165 1.551(12) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C45 C177 1.64(2) . ?
C47 C189 1.4200 . ?
C47 C3 1.4200 . ?
C47 C97 1.515(12) . ?
C189 C95 1.4200 . ?
C189 C193 1.509(13) . ?
C95 C191 1.4200 . ?
C95 C57 1.548(13) . ?
C191 C3 1.4200 . ?
C191 C227 1.509(13) . ?
C3 C195 1.542(13) . ?
C49 C197 1.4200 . ?
C49 C25 1.4200 . ?
C49 C59 1.549(9) . ?
C197 C99 1.4200 . ?
C197 C239 1.530(9) . ?
C99 C199 1.4200 . ?
C199 C25 1.4200 . ?
C199 C231 1.533(9) . ?
C25 C119 1.544(9) . ?
C50 C72 1.522(17) . ?
C50 C84 1.471(16) . ?
C52 C70 1.406(16) . ?
C52 C86 1.366(17) . ?
C54 C56 1.3900 . ?
C54 C64 1.3900 . ?
C54 C80 1.422(16) . ?
C56 C58 1.3900 . ?
C58 C60 1.3900 . ?
C58 C178 1.366(17) . ?
C60 C62 1.3900 . ?
C60 C174 1.342(17) . ?
C62 C64 1.3900 . ?
C64 C66 1.405(17) . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C61 C219 1.575(13) . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C63 C100 1.43(2) . ?
C65 C220 1.332(16) . ?
C65 C232 1.21(2) . ?
C66 C75 1.419(16) . ?
C68 C70 1.3900 . ?
C68 C78 1.3900 . ?
C70 C72 1.3900 . ?
C72 C74 1.3900 . ?
C74 C76 1.3900 . ?
C76 C78 1.3900 . ?
C76 C79 1.432(15) . ?
C78 C146 1.382(16) . ?
C69 C248 1.153(14) . ?
C73 C192 1.214(16) . ?
C75 C151 1.3900 . ?
C75 C155 1.3900 . ?
C151 H151 0.9500 . ?
C151 C19 1.3900 . ?
C19 H19 0.9500 . ?
C19 C153 1.3900 . ?
C153 H153 0.9500 . ?
C153 C77 1.3900 . ?
C77 H77 0.9500 . ?
C77 C155 1.3900 . ?
C155 C80 1.421(17) . ?
C79 H79A 0.9900 . ?
C79 H79B 0.9900 . ?
C79 C157 1.379(18) . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C81 C143 1.617(13) . ?
C82 H82 0.9500 . ?
C82 C84 1.3900 . ?
C82 C92 1.3900 . ?
C84 C86 1.3900 . ?
C86 C88 1.3900 . ?
C88 H88 0.9500 . ?
C88 C90 1.3900 . ?
C90 H90 0.9500 . ?
C90 C92 1.3900 . ?
C92 H92 0.9500 . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
C85 C41 1.518(15) . ?
C87 C175 1.4200 . ?
C87 C89 1.4200 . ?
C87 C225 1.54(2) . ?
C175 C11 1.4200 . ?
C175 C181 1.44(2) . ?
C11 C177 1.4200 . ?
C11 C179 1.421(18) . ?
C177 C89 1.4200 . ?
C89 C173 1.62(2) . ?
C91 C183 1.4200 . ?
C91 C93 1.4200 . ?
C91 C247 1.561(9) . ?
C183 C23 1.4200 . ?
C183 C241 1.526(9) . ?
C23 C185 1.4200 . ?
C23 C187 1.536(9) . ?
C185 C93 1.4200 . ?
C185 C113 1.518(9) . ?
C93 C229 1.555(9) . ?
C94 H94 0.9500 . ?
C94 C168 1.396(18) . ?
C96 C98 1.3900 . ?
C96 C106 1.3900 . ?
C96 C162 1.59(2) . ?
C98 C100 1.3900 . ?
C100 C102 1.3900 . ?
C102 C104 1.3900 . ?
C104 C106 1.3900 . ?
C104 C125 1.549(11) . ?
C106 C127 1.524(11) . ?
C97 H97A 0.9800 . ?
C97 H97B 0.9800 . ?
C97 H97C 0.9800 . ?
C103 H10A 0.9800 . ?
C103 H10B 0.9800 . ?
C103 H10C 0.9800 . ?
C103 C201 1.522(13) . ?
C105 C211 1.4200 . ?
C105 C107 1.4200 . ?
C211 C53 1.4200 . ?
C211 C117 1.531(12) . ?
C53 C213 1.4200 . ?
C53 C237 1.530(11) . ?
C213 C107 1.4200 . ?
C213 C233 1.488(13) . ?
C107 C235 1.529(13) . ?
C108 C110 1.3900 . ?
C108 C118 1.3900 . ?
C110 C112 1.3900 . ?
C110 C147 1.368(16) . ?
C112 H112 0.9500 . ?
C112 C114 1.3900 . ?
C114 H114 0.9500 . ?
C114 C116 1.3900 . ?
C116 H116 0.9500 . ?
C116 C118 1.3900 . ?
C118 H118 0.9500 . ?
C111 H11D 0.9800 . ?
C111 H11E 0.9800 . ?
C111 H11F 0.9800 . ?
C111 C141 1.553(13) . ?
C113 H11G 0.9800 . ?
C113 H11H 0.9800 . ?
C113 H11I 0.9800 . ?
C115 H11J 0.9800 . ?
C115 H11K 0.9800 . ?
C115 H11L 0.9800 . ?
C115 C101 1.524(12) . ?
C117 H11A 0.9800 . ?
C117 H11B 0.9800 . ?
C117 H11C 0.9800 . ?
C119 H11M 0.9800 . ?
C119 H11N 0.9800 . ?
C119 H11O 0.9800 . ?
C120 C122 1.3900 . ?
C120 C130 1.3900 . ?
C122 C124 1.3900 . ?
C124 C126 1.3900 . ?
C124 C144 1.392(15) . ?
C126 C128 1.3900 . ?
C126 C216 1.358(15) . ?
C128 C130 1.3900 . ?
C130 C147 1.440(15) . ?
C121 H12A 0.9800 . ?
C121 H12B 0.9800 . ?
C121 H12C 0.9800 . ?
C121 C109 1.541(13) . ?
C123 H12D 0.9800 . ?
C123 H12E 0.9800 . ?
C123 H12F 0.9800 . ?
C123 C215 1.559(12) . ?
C125 H12J 0.9800 . ?
C125 H12K 0.9800 . ?
C125 H12L 0.9800 . ?
C127 H12M 0.9800 . ?
C127 H12N 0.9800 . ?
C127 H12O 0.9800 . ?
C129 H12G 0.9800 . ?
C129 H12H 0.9800 . ?
C129 H12I 0.9800 . ?
C129 C222 1.460(13) . ?
C137 C139 1.364(14) . ?
C137 C234 1.158(15) . ?
C139 C35 1.3900 . ?
C139 C9 1.3900 . ?
C35 C141 1.3900 . ?
C35 C223 1.500(14) . ?
C141 C71 1.3900 . ?
C71 C143 1.3900 . ?
C71 C248 1.364(11) . ?
C143 C9 1.3900 . ?
C9 C221 1.565(13) . ?
C142 C160 1.412(17) . ?
C144 H144 0.9500 . ?
C146 H146 0.9500 . ?
C148 H148 0.9500 . ?
C148 C164 1.411(18) . ?
C149 H149 0.9500 . ?
C149 C172 1.420(17) . ?
C149 C174 1.334(18) . ?
C150 C152 1.3900 . ?
C150 C160 1.3900 . ?
C152 H152 0.9500 . ?
C152 C154 1.3900 . ?
C154 H154 0.9500 . ?
C154 C156 1.3900 . ?
C156 H156 0.9500 . ?
C156 C158 1.3900 . ?
C158 H158 0.9500 . ?
C158 C160 1.3900 . ?
C157 H157 0.9500 . ?
C159 H15D 0.9800 . ?
C159 H15E 0.9800 . ?
C159 H15F 0.9800 . ?
C159 C230 1.478(18) . ?
C161 H16A 0.9800 . ?
C161 H16B 0.9800 . ?
C161 H16C 0.9800 . ?
C161 C228 1.485(16) . ?
C163 C41 1.4200 . ?
C163 C167 1.4200 . ?
C163 C171 1.523(15) . ?
C41 C165 1.4200 . ?
C165 C83 1.4200 . ?
C83 C167 1.4200 . ?
C167 C169 1.452(15) . ?
C164 H164 0.9500 . ?
C164 C168 1.410(17) . ?
C166 H16D 0.9800 . ?
C166 H16E 0.9800 . ?
C166 H16F 0.9800 . ?
C168 H168 0.9500 . ?
C169 H16G 0.9800 . ?
C169 H16H 0.9800 . ?
C169 H16I 0.9800 . ?
C170 C214 1.23(3) . ?
C171 H17A 0.9800 . ?
C171 H17B 0.9800 . ?
C171 H17C 0.9800 . ?
C172 H172 0.9500 . ?
C172 C178 1.393(18) . ?
C173 H17D 0.9800 . ?
C173 H17E 0.9800 . ?
C173 H17F 0.9800 . ?
C174 H174 0.9500 . ?
C176 H17G 0.9800 . ?
C176 H17H 0.9800 . ?
C176 H17I 0.9800 . ?
C178 H178 0.9500 . ?
C179 H17J 0.9800 . ?
C179 H17K 0.9800 . ?
C179 H17L 0.9800 . ?
C181 H18A 0.9800 . ?
C181 H18B 0.9800 . ?
C181 H18C 0.9800 . ?
C187 H18D 0.9800 . ?
C187 H18E 0.9800 . ?
C187 H18F 0.9800 . ?
C190 H19A 0.9800 . ?
C190 H19B 0.9800 . ?
C190 H19C 0.9800 . ?
C192 C226 1.542(14) . ?
C193 H19D 0.9800 . ?
C193 H19E 0.9800 . ?
C193 H19F 0.9800 . ?
C195 H19G 0.9800 . ?
C195 H19H 0.9800 . ?
C195 H19I 0.9800 . ?
C201 C101 1.4200 . ?
C201 C205 1.4200 . ?
C101 C203 1.4200 . ?
C203 C51 1.4200 . ?
C203 C209 1.552(9) . ?
C51 C205 1.4200 . ?
C51 C207 1.560(13) . ?
C207 H20A 0.9800 . ?
C207 H20B 0.9800 . ?
C207 H20C 0.9800 . ?
C209 H20D 0.9800 . ?
C209 H20E 0.9800 . ?
C209 H20F 0.9800 . ?
C215 C27 1.4200 . ?
C215 C219 1.4200 . ?
C27 C217 1.4200 . ?
C27 C243 1.580(13) . ?
C217 C109 1.4200 . ?
C217 C245 1.553(12) . ?
C109 C219 1.4200 . ?
C216 H216 0.9500 . ?
C216 C218 1.384(16) . ?
C218 H218 0.9500 . ?
C220 C222 1.3900 . ?
C220 C230 1.3900 . ?
C222 C224 1.3900 . ?
C224 C226 1.3900 . ?
C226 C228 1.3900 . ?
C228 C230 1.3900 . ?
C221 H22D 0.9800 . ?
C221 H22E 0.9800 . ?
C221 H22F 0.9800 . ?
C223 H22G 0.9800 . ?
C223 H22H 0.9800 . ?
C223 H22I 0.9800 . ?
C225 H22A 0.9800 . ?
C225 H22B 0.9800 . ?
C225 H22C 0.9800 . ?
C227 H22J 0.9800 . ?
C227 H22K 0.9800 . ?
C227 H22L 0.9800 . ?
C229 H22M 0.9800 . ?
C229 H22N 0.9800 . ?
C229 H22O 0.9800 . ?
C231 H23J 0.9800 . ?
C231 H23K 0.9800 . ?
C231 H23L 0.9800 . ?
C233 H23A 0.9800 . ?
C233 H23B 0.9800 . ?
C233 H23C 0.9800 . ?
C235 H23D 0.9800 . ?
C235 H23E 0.9800 . ?
C235 H23F 0.9800 . ?
C237 H23G 0.9800 . ?
C237 H23H 0.9800 . ?
C237 H23I 0.9800 . ?
C239 H23M 0.9800 . ?
C239 H23N 0.9800 . ?
C239 H23O 0.9800 . ?
C241 H24G 0.9800 . ?
C241 H24H 0.9800 . ?
C241 H24I 0.9800 . ?
C243 H24A 0.9800 . ?
C243 H24B 0.9800 . ?
C243 H24C 0.9800 . ?
C245 H24D 0.9800 . ?
C245 H24E 0.9800 . ?
C245 H24F 0.9800 . ?
C247 H24J 0.9800 . ?
C247 H24K 0.9800 . ?
C247 H24L 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
O4 Rh1 N7 87.2(5) . . ?
O4 Rh1 C163 93.6(5) . . ?
O4 Rh1 C41 102.6(5) . . ?
O4 Rh1 C165 138.8(6) . . ?
O4 Rh1 C83 157.7(5) . . ?
O4 Rh1 C167 119.3(5) . . ?
O14 Rh1 O4 86.6(5) . . ?
O14 Rh1 N7 88.4(5) . . ?
O14 Rh1 C163 145.6(6) . . ?
O14 Rh1 C41 108.1(6) . . ?
O14 Rh1 C165 92.8(5) . . ?
O14 Rh1 C83 114.6(6) . . ?
O14 Rh1 C167 153.8(6) . . ?
C163 Rh1 N7 126.0(6) . . ?
C41 Rh1 N7 161.0(4) . . ?
C41 Rh1 C163 38.4(2) . . ?
C165 Rh1 N7 134.0(5) . . ?
C165 Rh1 C163 65.0(3) . . ?
C165 Rh1 C41 38.9(2) . . ?
C165 Rh1 C167 65.6(3) . . ?
C83 Rh1 N7 99.6(5) . . ?
C83 Rh1 C163 65.1(3) . . ?
C83 Rh1 C41 65.5(3) . . ?
C83 Rh1 C165 39.5(2) . . ?
C83 Rh1 C167 39.2(2) . . ?
C167 Rh1 N7 96.3(5) . . ?
C167 Rh1 C163 38.5(2) . . ?
C167 Rh1 C41 64.8(3) . . ?
O7 Rh2 O9 81.7(5) . . ?
O7 Rh2 C87 101.0(5) . . ?
O7 Rh2 C175 131.4(7) . . ?
O7 Rh2 C11 163.2(5) . . ?
O7 Rh2 C177 132.6(6) . . ?
O7 Rh2 C89 102.2(5) . . ?
O9 Rh2 C87 152.3(6) . . ?
O9 Rh2 C175 146.9(7) . . ?
O9 Rh2 C11 109.9(6) . . ?
O9 Rh2 C177 95.3(5) . . ?
O9 Rh2 C89 114.8(6) . . ?
N2 Rh2 O7 90.4(5) . . ?
N2 Rh2 O9 86.2(5) . . ?
N2 Rh2 C87 121.1(7) . . ?
N2 Rh2 C175 93.9(5) . . ?
N2 Rh2 C11 102.2(5) . . ?
N2 Rh2 C177 136.8(6) . . ?
N2 Rh2 C89 156.6(5) . . ?
C87 Rh2 C11 63.1(2) . . ?
C87 Rh2 C177 62.5(2) . . ?
C87 Rh2 C89 37.54(18) . . ?
C175 Rh2 C87 38.1(2) . . ?
C175 Rh2 C11 37.83(19) . . ?
C175 Rh2 C177 62.6(2) . . ?
C175 Rh2 C89 63.0(2) . . ?
C11 Rh2 C177 37.1(2) . . ?
C11 Rh2 C89 62.3(2) . . ?
C89 Rh2 C177 36.9(2) . . ?
O2 Rh3 O13 84.7(5) . . ?
O2 Rh3 N5 85.0(5) . . ?
O2 Rh3 C215 158.2(5) . . ?
O2 Rh3 C27 140.7(5) . . ?
O2 Rh3 C217 103.1(5) . . ?
O2 Rh3 C109 94.5(5) . . ?
O2 Rh3 C219 120.3(5) . . ?
O13 Rh3 N5 87.4(5) . . ?
O13 Rh3 C215 116.5(6) . . ?
O13 Rh3 C27 94.0(5) . . ?
O13 Rh3 C217 108.9(5) . . ?
O13 Rh3 C109 147.4(5) . . ?
O13 Rh3 C219 154.9(6) . . ?
N5 Rh3 C215 100.2(5) . . ?
N5 Rh3 C109 125.1(5) . . ?
N5 Rh3 C219 96.6(5) . . ?
C215 Rh3 C109 65.1(3) . . ?
C215 Rh3 C219 38.4(2) . . ?
C27 Rh3 N5 134.2(6) . . ?
C27 Rh3 C215 39.6(2) . . ?
C27 Rh3 C217 40.5(3) . . ?
C27 Rh3 C109 66.5(3) . . ?
C27 Rh3 C219 65.6(3) . . ?
C217 Rh3 N5 162.2(5) . . ?
C217 Rh3 C215 66.5(3) . . ?
C217 Rh3 C109 39.5(2) . . ?
C217 Rh3 C219 65.6(3) . . ?
C109 Rh3 C219 38.3(2) . . ?
O6 Rh4 O12 84.7(5) . . ?
O6 Rh4 N1 81.6(5) . . ?
O6 Rh4 C105 116.0(5) . . ?
O6 Rh4 C211 153.8(6) . . ?
O6 Rh4 C107 92.2(5) . . ?
O12 Rh4 N1 84.0(5) . . ?
O12 Rh4 C105 155.9(5) . . ?
O12 Rh4 C211 120.8(5) . . ?
O12 Rh4 C107 162.1(5) . . ?
N1 Rh4 C105 87.1(4) . . ?
C211 Rh4 N1 94.7(4) . . ?
C211 Rh4 C105 37.83(15) . . ?
C211 Rh4 C107 65.25(19) . . ?
C53 Rh4 O6 144.6(5) . . ?
C53 Rh4 O12 104.4(5) . . ?
C53 Rh4 N1 132.8(5) . . ?
C53 Rh4 C105 66.4(2) . . ?
C53 Rh4 C211 40.79(17) . . ?
C53 Rh4 C213 43.18(19) . . ?
C53 Rh4 C107 68.61(19) . . ?
C213 Rh4 O6 103.2(5) . . ?
C213 Rh4 O12 123.4(6) . . ?
C213 Rh4 N1 152.3(5) . . ?
C213 Rh4 C105 66.1(2) . . ?
C213 Rh4 C211 68.8(2) . . ?
C213 Rh4 C107 40.34(17) . . ?
C107 Rh4 N1 113.0(6) . . ?
C107 Rh4 C105 37.66(16) . . ?
O3 Rh5 O16 87.3(5) . . ?
O3 Rh5 N6 87.5(4) . . ?
O3 Rh5 C201 133.5(5) . . ?
O3 Rh5 C101 164.0(5) . . ?
O3 Rh5 C203 130.0(6) . . ?
O3 Rh5 C205 101.0(5) . . ?
O16 Rh5 N6 84.6(5) . . ?
O16 Rh5 C201 91.7(5) . . ?
O16 Rh5 C101 105.1(5) . . ?
N6 Rh5 C201 138.7(5) . . ?
N6 Rh5 C101 103.5(4) . . ?
C101 Rh5 C201 38.2(2) . . ?
C203 Rh5 O16 142.6(5) . . ?
C203 Rh5 N6 94.3(4) . . ?
C203 Rh5 C201 65.0(2) . . ?
C203 Rh5 C101 38.9(2) . . ?
C203 Rh5 C205 66.1(2) . . ?
C51 Rh5 O3 98.7(5) . . ?
C51 Rh5 O16 153.5(5) . . ?
C51 Rh5 N6 121.2(5) . . ?
C51 Rh5 C201 65.5(2) . . ?
C51 Rh5 C101 65.7(2) . . ?
C51 Rh5 C203 39.9(2) . . ?
C51 Rh5 C205 39.7(2) . . ?
C205 Rh5 O16 113.9(5) . . ?
C205 Rh5 N6 159.7(5) . . ?
C205 Rh5 C201 38.6(2) . . ?
C205 Rh5 C101 64.9(2) . . ?
O8 Rh6 N8 84.5(5) . . ?
O8 Rh6 C191 124.8(6) . . ?
O8 Rh6 C3 95.0(5) . . ?
O15 Rh6 O8 83.5(6) . . ?
O15 Rh6 N8 80.4(5) . . ?
O15 Rh6 C47 121.5(6) . . ?
O15 Rh6 C189 100.5(6) . . ?
O15 Rh6 C95 114.5(6) . . ?
O15 Rh6 C191 151.1(6) . . ?
O15 Rh6 C3 160.2(6) . . ?
C47 Rh6 O8 97.7(5) . . ?
C47 Rh6 N8 158.1(5) . . ?
C47 Rh6 C95 66.5(3) . . ?
C47 Rh6 C191 65.3(3) . . ?
C47 Rh6 C3 39.0(2) . . ?
C189 Rh6 O8 132.4(5) . . ?
C189 Rh6 N8 143.1(5) . . ?
C189 Rh6 C47 40.1(2) . . ?
C189 Rh6 C95 40.0(2) . . ?
C189 Rh6 C191 66.0(2) . . ?
C189 Rh6 C3 66.0(3) . . ?
C95 Rh6 O8 160.2(5) . . ?
C95 Rh6 N8 105.7(5) . . ?
C95 Rh6 C191 38.9(2) . . ?
C95 Rh6 C3 65.3(3) . . ?
C191 Rh6 N8 95.5(5) . . ?
C3 Rh6 N8 119.2(5) . . ?
C3 Rh6 C191 38.3(2) . . ?
O5 Rh7 N3 82.1(5) . . ?
O5 Rh7 C49 96.9(6) . . ?
O5 Rh7 C197 116.8(5) . . ?
O5 Rh7 C99 152.8(6) . . ?
O5 Rh7 C25 108.2(6) . . ?
O11 Rh7 O5 84.9(6) . . ?
O11 Rh7 N3 89.7(6) . . ?
O11 Rh7 C49 159.1(5) . . ?
O11 Rh7 C197 156.6(5) . . ?
O11 Rh7 C99 121.6(6) . . ?
O11 Rh7 C25 123.3(5) . . ?
N3 Rh7 C49 111.2(6) . . ?
N3 Rh7 C197 85.0(5) . . ?
N3 Rh7 C99 91.5(5) . . ?
N3 Rh7 C25 145.6(5) . . ?
C49 Rh7 C197 35.0(2) . . ?
C99 Rh7 C49 60.8(3) . . ?
C99 Rh7 C197 36.1(2) . . ?
C199 Rh7 O5 146.4(6) . . ?
C199 Rh7 O11 105.1(5) . . ?
C199 Rh7 N3 129.0(5) . . ?
C199 Rh7 C49 62.7(3) . . ?
C199 Rh7 C197 62.3(2) . . ?
C199 Rh7 C99 39.2(2) . . ?
C199 Rh7 C25 39.6(2) . . ?
C25 Rh7 C49 36.4(2) . . ?
C25 Rh7 C197 60.9(3) . . ?
C25 Rh7 C99 64.1(2) . . ?
O1 Rh8 C185 90.7(5) . . ?
O1 Rh8 C93 96.8(5) . . ?
O10 Rh8 O1 93.1(6) . . ?
O10 Rh8 C91 92.7(6) . . ?
O10 Rh8 C185 149.6(6) . . ?
O10 Rh8 C93 114.0(6) . . ?
N4 Rh8 O1 90.3(6) . . ?
N4 Rh8 O10 82.0(6) . . ?
N4 Rh8 C91 140.9(6) . . ?
N4 Rh8 C185 128.1(6) . . ?
N4 Rh8 C93 161.9(5) . . ?
C91 Rh8 O1 128.8(6) . . ?
C91 Rh8 C185 62.2(3) . . ?
C91 Rh8 C93 36.1(2) . . ?
C183 Rh8 O1 156.2(5) . . ?
C183 Rh8 O10 106.8(6) . . ?
C183 Rh8 N4 105.0(5) . . ?
C183 Rh8 C91 39.6(3) . . ?
C183 Rh8 C23 42.0(3) . . ?
C183 Rh8 C185 65.6(3) . . ?
C183 Rh8 C93 63.5(3) . . ?
C23 Rh8 O1 118.5(5) . . ?
C23 Rh8 O10 148.3(6) . . ?
C23 Rh8 N4 99.2(5) . . ?
C23 Rh8 C91 66.3(3) . . ?
C23 Rh8 C185 38.3(3) . . ?
C23 Rh8 C93 62.8(3) . . ?
C185 Rh8 C93 35.7(2) . . ?
C10 O1 Rh8 121.6(12) . . ?
C74 O2 Rh3 131.6(11) . . ?
C66 O3 Rh5 129.0(12) . . ?
C147 O4 Rh1 129.8(11) . . ?
C56 O5 Rh7 132.0(13) . . ?
C1 O6 Rh4 125.9(12) . . ?
C68 O7 Rh2 128.6(13) . . ?
C4 O8 Rh6 133.1(15) . . ?
C52 O9 Rh2 130.3(13) . . ?
C142 O10 Rh8 111.3(11) . . ?
C80 O11 Rh7 128.5(12) . . ?
C122 O12 Rh4 132.3(12) . . ?
C50 O13 Rh3 133.1(14) . . ?
C128 O14 Rh1 128.8(10) . . ?
C7 O15 Rh6 131.1(14) . . ?
C62 O16 Rh5 123.2(12) . . ?
C16 N1 Rh4 123.8(10) . . ?
C16 N1 C24 120.0 . . ?
C24 N1 Rh4 116.2(10) . . ?
N1 C16 H16 120.0 . . ?
N1 C16 C18 120.0 . . ?
C18 C16 H16 120.0 . . ?
C16 C18 H18 120.0 . . ?
C20 C18 C16 120.0 . . ?
C20 C18 H18 120.0 . . ?
C18 C20 C22 120.0 . . ?
C18 C20 C232 127.2(15) . . ?
C22 C20 C232 112.6(15) . . ?
C20 C22 H22 120.0 . . ?
C20 C22 C24 120.0 . . ?
C24 C22 H22 120.0 . . ?
N1 C24 H24 120.0 . . ?
C22 C24 N1 120.0 . . ?
C22 C24 H24 120.0 . . ?
C194 N2 Rh2 117.9(9) . . ?
C194 N2 C202 120.0 . . ?
C202 N2 Rh2 122.0(9) . . ?
N2 C194 H194 120.0 . . ?
C196 C194 N2 120.0 . . ?
C196 C194 H194 120.0 . . ?
C194 C196 H196 120.0 . . ?
C198 C196 C194 120.0 . . ?
C198 C196 H196 120.0 . . ?
C196 C198 C200 120.0 . . ?
C196 C198 C73 117.9(11) . . ?
C200 C198 C73 122.0(11) . . ?
C198 C200 H200 120.0 . . ?
C202 C200 C198 120.0 . . ?
C202 C200 H200 120.0 . . ?
N2 C202 H202 120.0 . . ?
C200 C202 N2 120.0 . . ?
C200 C202 H202 120.0 . . ?
C236 N3 Rh7 125.3(11) . . ?
C236 N3 C244 120.0 . . ?
C244 N3 Rh7 114.1(11) . . ?
N3 C236 H236 120.0 . . ?
N3 C236 C238 120.0 . . ?
C238 C236 H236 120.0 . . ?
C236 C238 H238 120.0 . . ?
C236 C238 C240 120.0 . . ?
C240 C238 H238 120.0 . . ?
C238 C240 C242 120.0 . . ?
C238 C240 C145 119.9(16) . . ?
C242 C240 C145 118.9(16) . . ?
C240 C242 H242 120.0 . . ?
C244 C242 C240 120.0 . . ?
C244 C242 H242 120.0 . . ?
N3 C244 H244 120.0 . . ?
C242 C244 N3 120.0 . . ?
C242 C244 H244 120.0 . . ?
C26 N4 Rh8 121.4(9) . . ?
C26 N4 C34 120.0 . . ?
C34 N4 Rh8 118.2(9) . . ?
N4 C26 H26 120.0 . . ?
N4 C26 C28 120.0 . . ?
C28 C26 H26 120.0 . . ?
C26 C28 H28 120.0 . . ?
C30 C28 C26 120.0 . . ?
C30 C28 H28 120.0 . . ?
C32 C30 C28 120.0 . . ?
C36 C30 C28 119.0(11) . . ?
C36 C30 C32 121.0(11) . . ?
C30 C32 H32 120.0 . . ?
C30 C32 C34 120.0 . . ?
C34 C32 H32 120.0 . . ?
N4 C34 H34 120.0 . . ?
C32 C34 N4 120.0 . . ?
C32 C34 H34 120.0 . . ?
C204 N5 Rh3 118.3(10) . . ?
C204 N5 C212 120.0 . . ?
C212 N5 Rh3 121.3(10) . . ?
N5 C204 H204 120.0 . . ?
C206 C204 N5 120.0 . . ?
C206 C204 H204 120.0 . . ?
C204 C206 H206 120.0 . . ?
C204 C206 C208 120.0 . . ?
C208 C206 H206 120.0 . . ?
C206 C208 C214 123.8(15) . . ?
C210 C208 C206 120.0 . . ?
C210 C208 C214 115.7(15) . . ?
C208 C210 H210 120.0 . . ?
C208 C210 C212 120.0 . . ?
C212 C210 H210 120.0 . . ?
N5 C212 H212 120.0 . . ?
C210 C212 N5 120.0 . . ?
C210 C212 H212 120.0 . . ?
C132 N6 Rh5 122.5(7) . . ?
C132 N6 C140 120.0 . . ?
C140 N6 Rh5 117.4(7) . . ?
N6 C132 H132 120.0 . . ?
C134 C132 N6 120.0 . . ?
C134 C132 H132 120.0 . . ?
C132 C134 H134 120.0 . . ?
C132 C134 C136 120.0 . . ?
C136 C134 H134 120.0 . . ?
C134 C136 C69 124.6(10) . . ?
C138 C136 C134 120.0 . . ?
C138 C136 C69 115.3(10) . . ?
C136 C138 H138 120.0 . . ?
C140 C138 C136 120.0 . . ?
C140 C138 H138 120.0 . . ?
N6 C140 H140 120.0 . . ?
C138 C140 N6 120.0 . . ?
C138 C140 H140 120.0 . . ?
C131 N7 Rh1 123.6(10) . . ?
C131 N7 C135 120.0 . . ?
C135 N7 Rh1 116.4(10) . . ?
N7 C131 H131 120.0 . . ?
N7 C131 C33 120.0 . . ?
C33 C131 H131 120.0 . . ?
C131 C33 H33 120.0 . . ?
C133 C33 C131 120.0 . . ?
C133 C33 H33 120.0 . . ?
C33 C133 C67 120.0 . . ?
C33 C133 C17 110.1(15) . . ?
C67 C133 C17 129.8(15) . . ?
C133 C67 H67 120.0 . . ?
C135 C67 C133 120.0 . . ?
C135 C67 H67 120.0 . . ?
N7 C135 H135 120.0 . . ?
C67 C135 N7 120.0 . . ?
C67 C135 H135 120.0 . . ?
C180 N8 Rh6 122.0(8) . . ?
C180 N8 C188 120.0 . . ?
C188 N8 Rh6 118.0(8) . . ?
N8 C180 H180 120.0 . . ?
N8 C180 C182 120.0 . . ?
C182 C180 H180 120.0 . . ?
C180 C182 H182 120.0 . . ?
C180 C182 C184 120.0 . . ?
C184 C182 H182 120.0 . . ?
C182 C184 C234 131.6(13) . . ?
C186 C184 C182 120.0 . . ?
C186 C184 C234 107.1(13) . . ?
C184 C186 H186 120.0 . . ?
C184 C186 C188 120.0 . . ?
C188 C186 H186 120.0 . . ?
N8 C188 H188 120.0 . . ?
C186 C188 N8 120.0 . . ?
C186 C188 H188 120.0 . . ?
O6 C1 C108 113.8(15) . . ?
O6 C1 C120 128.9(15) . . ?
C108 C1 C120 117.0(15) . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C98 C2 H2A 109.5 . . ?
C98 C2 H2B 109.5 . . ?
C98 C2 H2C 109.5 . . ?
O8 C4 C6 121.5(18) . . ?
O8 C4 C14 118.3(18) . . ?
C6 C4 C14 120.0 . . ?
C4 C6 C8 120.0 . . ?
C4 C6 C7 128.6(17) . . ?
C8 C6 C7 111.4(17) . . ?
C6 C8 C10 120.0 . . ?
C6 C8 C142 124.8(17) . . ?
C10 C8 C142 115.2(17) . . ?
O1 C10 C8 132.6(16) . . ?
O1 C10 C12 105.2(16) . . ?
C12 C10 C8 120.0 . . ?
C10 C12 C14 120.0 . . ?
C10 C12 C94 120.2(17) . . ?
C14 C12 C94 119.8(17) . . ?
C12 C14 C4 120.0 . . ?
C148 C14 C4 117.7(18) . . ?
C148 C14 C12 122.3(18) . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C224 C5 H5A 109.5 . . ?
C224 C5 H5B 109.5 . . ?
C224 C5 H5C 109.5 . . ?
O15 C7 C6 119.5(18) . . ?
O15 C7 C150 111.9(18) . . ?
C6 C7 C150 127.4(19) . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C205 C13 H13A 109.5 . . ?
C205 C13 H13B 109.5 . . ?
C205 C13 H13C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C105 C15 H15A 109.5 . . ?
C105 C15 H15B 109.5 . . ?
C105 C15 H15C 109.5 . . ?
C246 C17 C133 148(3) . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C83 C21 H21A 109.5 . . ?
C83 C21 H21B 109.5 . . ?
C83 C21 H21C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C99 C29 H29A 109.5 . . ?
C99 C29 H29B 109.5 . . ?
C99 C29 H29C 109.5 . . ?
C145 C31 C102 172(2) . . ?
C162 C36 C30 173(2) . . ?
C144 C37 H37 120.4 . . ?
C218 C37 H37 120.4 . . ?
C218 C37 C144 119.2(14) . . ?
C40 C38 C48 120.0 . . ?
C40 C38 C170 120.4(17) . . ?
C48 C38 C170 119.6(17) . . ?
C38 C40 C190 119.2(16) . . ?
C42 C40 C38 120.0 . . ?
C42 C40 C190 120.8(16) . . ?
C40 C42 C44 120.0 . . ?
C40 C42 C55 117.8(16) . . ?
C44 C42 C55 122.2(16) . . ?
C42 C44 C246 124.6(16) . . ?
C46 C44 C42 120.0 . . ?
C46 C44 C246 115.3(16) . . ?
C44 C46 C166 124.2(15) . . ?
C48 C46 C44 120.0 . . ?
C48 C46 C166 115.8(15) . . ?
C38 C48 C176 107.1(16) . . ?
C46 C48 C38 120.0 . . ?
C46 C48 C176 132.9(16) . . ?
C146 C39 H39 112.7 . . ?
C157 C39 H39 112.7 . . ?
C157 C39 C146 135(2) . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C165 C43 H43A 109.5 . . ?
C165 C43 H43B 109.5 . . ?
C165 C43 H43C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C177 C45 H45A 109.5 . . ?
C177 C45 H45B 109.5 . . ?
C177 C45 H45C 109.5 . . ?
C189 C47 Rh6 68.4(6) . . ?
C189 C47 C97 124.6(10) . . ?
C3 C47 Rh6 73.2(6) . . ?
C3 C47 C189 108.0 . . ?
C3 C47 C97 127.4(10) . . ?
C97 C47 Rh6 125.9(11) . . ?
C47 C189 Rh6 71.5(6) . . ?
C47 C189 C95 108.0 . . ?
C47 C189 C193 122.9(10) . . ?
C95 C189 Rh6 71.8(5) . . ?
C95 C189 C193 129.1(10) . . ?
C193 C189 Rh6 122.9(13) . . ?
C189 C95 Rh6 68.2(6) . . ?
C189 C95 C57 126.6(10) . . ?
C191 C95 Rh6 73.2(6) . . ?
C191 C95 C189 108.0 . . ?
C191 C95 C57 125.4(10) . . ?
C57 C95 Rh6 123.0(12) . . ?
C95 C191 Rh6 68.0(6) . . ?
C95 C191 C3 108.0 . . ?
C95 C191 C227 128.0(10) . . ?
C3 C191 Rh6 70.7(5) . . ?
C3 C191 C227 122.7(10) . . ?
C227 C191 Rh6 117.1(13) . . ?
C47 C3 Rh6 67.8(6) . . ?
C47 C3 C191 108.0 . . ?
C47 C3 C195 125.0(10) . . ?
C191 C3 Rh6 71.0(5) . . ?
C191 C3 C195 127.0(10) . . ?
C195 C3 Rh6 125.3(13) . . ?
C197 C49 Rh7 73.2(5) . . ?
C197 C49 C25 108.0 . . ?
C197 C49 C59 113.8(11) . . ?
C25 C49 Rh7 64.0(5) . . ?
C25 C49 C59 129.8(11) . . ?
C59 C49 Rh7 102.7(14) . . ?
C49 C197 Rh7 71.8(5) . . ?
C49 C197 C99 108.0 . . ?
C49 C197 C239 121.2(11) . . ?
C99 C197 Rh7 64.7(5) . . ?
C99 C197 C239 130.8(11) . . ?
C239 C197 Rh7 128.2(13) . . ?
C29 C99 Rh7 124.8(11) . . ?
C197 C99 Rh7 79.2(6) . . ?
C197 C99 C29 121.1(10) . . ?
C199 C99 Rh7 64.8(5) . . ?
C199 C99 C29 130.8(10) . . ?
C199 C99 C197 108.0 . . ?
C99 C199 Rh7 76.0(6) . . ?
C99 C199 C231 113.4(10) . . ?
C25 C199 Rh7 74.5(6) . . ?
C25 C199 C99 108.0 . . ?
C25 C199 C231 136.3(10) . . ?
C231 C199 Rh7 128.2(12) . . ?
C49 C25 Rh7 79.6(6) . . ?
C49 C25 C119 118.2(11) . . ?
C199 C25 Rh7 65.9(5) . . ?
C199 C25 C49 108.0 . . ?
C199 C25 C119 133.0(11) . . ?
C119 C25 Rh7 129.1(13) . . ?
O13 C50 C72 126.2(17) . . ?
O13 C50 C84 121.5(17) . . ?
C84 C50 C72 110.9(15) . . ?
O9 C52 C70 128.7(19) . . ?
O9 C52 C86 110.4(16) . . ?
C86 C52 C70 117.3(17) . . ?
C56 C54 C64 120.0 . . ?
C56 C54 C80 119.8(16) . . ?
C64 C54 C80 120.1(16) . . ?
O5 C56 C54 125.6(15) . . ?
O5 C56 C58 114.2(15) . . ?
C58 C56 C54 120.0 . . ?
C60 C58 C56 120.0 . . ?
C178 C58 C56 116.4(17) . . ?
C178 C58 C60 123.6(17) . . ?
C58 C60 C62 120.0 . . ?
C174 C60 C58 113.0(17) . . ?
C174 C60 C62 126.5(17) . . ?
O16 C62 C60 107.9(16) . . ?
O16 C62 C64 132.1(16) . . ?
C60 C62 C64 120.0 . . ?
C54 C64 C66 116.3(16) . . ?
C62 C64 C54 120.0 . . ?
C62 C64 C66 123.0(16) . . ?
C42 C55 H55A 109.5 . . ?
C42 C55 H55B 109.5 . . ?
C42 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C95 C57 H57A 109.5 . . ?
C95 C57 H57B 109.5 . . ?
C95 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C49 C59 H59A 109.5 . . ?
C49 C59 H59B 109.5 . . ?
C49 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C219 C61 H61A 109.5 . . ?
C219 C61 H61B 109.5 . . ?
C219 C61 H61C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C100 C63 H63A 109.5 . . ?
C100 C63 H63B 109.5 . . ?
C100 C63 H63C 109.5 . . ?
C232 C65 C220 168(2) . . ?
O3 C66 C64 124.5(16) . . ?
O3 C66 C75 109.2(16) . . ?
C64 C66 C75 125.9(19) . . ?
O7 C68 C70 133.6(15) . . ?
O7 C68 C78 106.4(15) . . ?
C70 C68 C78 120.0 . . ?
C68 C70 C52 115.6(15) . . ?
C68 C70 C72 120.0 . . ?
C72 C70 C52 123.7(15) . . ?
C70 C72 C50 118.9(14) . . ?
C70 C72 C74 120.0 . . ?
C74 C72 C50 120.4(14) . . ?
O2 C74 C72 123.2(14) . . ?
O2 C74 C76 116.7(14) . . ?
C76 C74 C72 120.0 . . ?
C74 C76 C78 120.0 . . ?
C74 C76 C79 119.0(15) . . ?
C78 C76 C79 120.7(15) . . ?
C76 C78 C68 120.0 . . ?
C146 C78 C68 124.9(15) . . ?
C146 C78 C76 115.0(15) . . ?
C248 C69 C136 174(2) . . ?
C192 C73 C198 143.7(18) . . ?
C151 C75 C66 124.5(15) . . ?
C151 C75 C155 120.0 . . ?
C155 C75 C66 115.5(15) . . ?
C75 C151 H151 120.0 . . ?
C19 C151 C75 120.0 . . ?
C19 C151 H151 120.0 . . ?
C151 C19 H19 120.0 . . ?
C151 C19 C153 120.0 . . ?
C153 C19 H19 120.0 . . ?
C19 C153 H153 120.0 . . ?
C77 C153 C19 120.0 . . ?
C77 C153 H153 120.0 . . ?
C153 C77 H77 120.0 . . ?
C153 C77 C155 120.0 . . ?
C155 C77 H77 120.0 . . ?
C75 C155 C80 120.8(15) . . ?
C77 C155 C75 120.0 . . ?
C77 C155 C80 119.2(15) . . ?
C76 C79 H79A 106.0 . . ?
C76 C79 H79B 106.0 . . ?
H79A C79 H79B 106.3 . . ?
C157 C79 C76 125.4(18) . . ?
C157 C79 H79A 106.0 . . ?
C157 C79 H79B 106.0 . . ?
O11 C80 C54 128.5(17) . . ?
O11 C80 C155 110.6(16) . . ?
C155 C80 C54 120.8(18) . . ?
H81A C81 H81B 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C143 C81 H81A 109.5 . . ?
C143 C81 H81B 109.5 . . ?
C143 C81 H81C 109.5 . . ?
C84 C82 H82 120.0 . . ?
C84 C82 C92 120.0 . . ?
C92 C82 H82 120.0 . . ?
C82 C84 C50 116.0(14) . . ?
C86 C84 C50 123.9(14) . . ?
C86 C84 C82 120.0 . . ?
C52 C86 C84 120.8(15) . . ?
C52 C86 C88 119.1(15) . . ?
C88 C86 C84 120.0 . . ?
C86 C88 H88 120.0 . . ?
C90 C88 C86 120.0 . . ?
C90 C88 H88 120.0 . . ?
C88 C90 H90 120.0 . . ?
C88 C90 C92 120.0 . . ?
C92 C90 H90 120.0 . . ?
C82 C92 H92 120.0 . . ?
C90 C92 C82 120.0 . . ?
C90 C92 H92 120.0 . . ?
H85A C85 H85B 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C41 C85 H85A 109.5 . . ?
C41 C85 H85B 109.5 . . ?
C41 C85 H85C 109.5 . . ?
C175 C87 Rh2 70.5(5) . . ?
C175 C87 C89 108.0 . . ?
C175 C87 C225 144.0(17) . . ?
C89 C87 Rh2 73.2(6) . . ?
C89 C87 C225 107.3(17) . . ?
C225 C87 Rh2 113.9(11) . . ?
C87 C175 Rh2 71.4(5) . . ?
C87 C175 C181 128.3(19) . . ?
C11 C175 Rh2 72.8(6) . . ?
C11 C175 C87 108.0 . . ?
C11 C175 C181 123.6(19) . . ?
C181 C175 Rh2 124.6(12) . . ?
C175 C11 Rh2 69.4(6) . . ?
C175 C11 C177 108.0 . . ?
C177 C11 Rh2 72.9(6) . . ?
C179 C11 Rh2 121.6(11) . . ?
C179 C11 C175 115.5(19) . . ?
C179 C11 C177 136.5(19) . . ?
C45 C177 Rh2 122.7(11) . . ?
C11 C177 Rh2 70.0(5) . . ?
C11 C177 C45 120.5(17) . . ?
C89 C177 Rh2 70.8(5) . . ?
C89 C177 C45 131.5(17) . . ?
C89 C177 C11 108.0 . . ?
C87 C89 Rh2 69.3(6) . . ?
C87 C89 C173 136.2(17) . . ?
C177 C89 Rh2 72.3(5) . . ?
C177 C89 C87 108.0 . . ?
C177 C89 C173 114.4(17) . . ?
C173 C89 Rh2 113.6(10) . . ?
C183 C91 Rh8 61.4(6) . . ?
C183 C91 C93 108.0 . . ?
C183 C91 C247 122.1(10) . . ?
C93 C91 Rh8 78.7(6) . . ?
C93 C91 C247 128.8(10) . . ?
C247 C91 Rh8 115.1(14) . . ?
C91 C183 Rh8 79.0(7) . . ?
C91 C183 C23 108.0 . . ?
C91 C183 C241 126.1(11) . . ?
C23 C183 Rh8 71.0(7) . . ?
C23 C183 C241 125.6(11) . . ?
C241 C183 Rh8 110.7(14) . . ?
C183 C23 Rh8 67.0(7) . . ?
C183 C23 C187 130.2(9) . . ?
C185 C23 Rh8 80.6(7) . . ?
C185 C23 C183 108.0 . . ?
C185 C23 C187 120.4(9) . . ?
C187 C23 Rh8 129.3(13) . . ?
C23 C185 Rh8 61.1(6) . . ?
C23 C185 C93 108.0 . . ?
C23 C185 C113 121.1(10) . . ?
C93 C185 Rh8 76.0(6) . . ?
C93 C185 C113 130.8(10) . . ?
C113 C185 Rh8 129.3(13) . . ?
C91 C93 Rh8 65.1(6) . . ?
C91 C93 C185 108.0 . . ?
C91 C93 C229 129.6(10) . . ?
C185 C93 Rh8 68.3(6) . . ?
C185 C93 C229 122.0(10) . . ?
C229 C93 Rh8 126.8(14) . . ?
C12 C94 H94 121.8 . . ?
C168 C94 C12 116.3(19) . . ?
C168 C94 H94 121.8 . . ?
C98 C96 C106 120.0 . . ?
C98 C96 C162 124.8(15) . . ?
C106 C96 C162 115.2(15) . . ?
C96 C98 C2 112.8(15) . . ?
C96 C98 C100 120.0 . . ?
C100 C98 C2 127.2(14) . . ?
C98 C100 C63 116.7(14) . . ?
C102 C100 C63 123.3(14) . . ?
C102 C100 C98 120.0 . . ?
C100 C102 C31 120.7(11) . . ?
C104 C102 C31 119.3(11) . . ?
C104 C102 C100 120.0 . . ?
C102 C104 C106 120.0 . . ?
C102 C104 C125 124.2(14) . . ?
C106 C104 C125 115.8(14) . . ?
C96 C106 C127 128.0(14) . . ?
C104 C106 C96 120.0 . . ?
C104 C106 C127 112.0(14) . . ?
C47 C97 H97A 109.5 . . ?
C47 C97 H97B 109.5 . . ?
C47 C97 H97C 109.5 . . ?
H97A C97 H97B 109.5 . . ?
H97A C97 H97C 109.5 . . ?
H97B C97 H97C 109.5 . . ?
H10A C103 H10B 109.5 . . ?
H10A C103 H10C 109.5 . . ?
H10B C103 H10C 109.5 . . ?
C201 C103 H10A 109.5 . . ?
C201 C103 H10B 109.5 . . ?
C201 C103 H10C 109.5 . . ?
C15 C105 Rh4 133.4(7) . . ?
C211 C105 Rh4 66.2(4) . . ?
C211 C105 C15 127.0(10) . . ?
C211 C105 C107 108.0 . . ?
C107 C105 Rh4 67.2(3) . . ?
C107 C105 C15 125.0(10) . . ?
C105 C211 Rh4 76.0(4) . . ?
C105 C211 C53 108.0 . . ?
C105 C211 C117 129.5(10) . . ?
C53 C211 Rh4 62.1(4) . . ?
C53 C211 C117 122.5(10) . . ?
C117 C211 Rh4 127.0(10) . . ?
C211 C53 Rh4 77.1(4) . . ?
C211 C53 C237 126.6(9) . . ?
C213 C53 Rh4 69.0(4) . . ?
C213 C53 C211 108.0 . . ?
C213 C53 C237 125.4(9) . . ?
C237 C53 Rh4 118.9(6) . . ?
C53 C213 Rh4 67.8(4) . . ?
C53 C213 C233 123.1(10) . . ?
C107 C213 Rh4 77.6(4) . . ?
C107 C213 C53 108.0 . . ?
C107 C213 C233 128.9(10) . . ?
C233 C213 Rh4 121.5(6) . . ?
C105 C107 Rh4 75.1(4) . . ?
C105 C107 C235 124.0(10) . . ?
C213 C107 Rh4 62.0(4) . . ?
C213 C107 C105 108.0 . . ?
C213 C107 C235 127.9(10) . . ?
C235 C107 Rh4 130.5(6) . . ?
C110 C108 C1 122.4(13) . . ?
C110 C108 C118 120.0 . . ?
C118 C108 C1 117.6(13) . . ?
C112 C110 C108 120.0 . . ?
C147 C110 C108 119.8(13) . . ?
C147 C110 C112 120.1(13) . . ?
C110 C112 H112 120.0 . . ?
C110 C112 C114 120.0 . . ?
C114 C112 H112 120.0 . . ?
C112 C114 H114 120.0 . . ?
C116 C114 C112 120.0 . . ?
C116 C114 H114 120.0 . . ?
C114 C116 H116 120.0 . . ?
C114 C116 C118 120.0 . . ?
C118 C116 H116 120.0 . . ?
C108 C118 H118 120.0 . . ?
C116 C118 C108 120.0 . . ?
C116 C118 H118 120.0 . . ?
H11D C111 H11E 109.5 . . ?
H11D C111 H11F 109.5 . . ?
H11E C111 H11F 109.5 . . ?
C141 C111 H11D 109.5 . . ?
C141 C111 H11E 109.5 . . ?
C141 C111 H11F 109.5 . . ?
C185 C113 H11G 109.5 . . ?
C185 C113 H11H 109.5 . . ?
C185 C113 H11I 109.5 . . ?
H11G C113 H11H 109.5 . . ?
H11G C113 H11I 109.5 . . ?
H11H C113 H11I 109.5 . . ?
H11J C115 H11K 109.5 . . ?
H11J C115 H11L 109.5 . . ?
H11K C115 H11L 109.5 . . ?
C101 C115 H11J 109.5 . . ?
C101 C115 H11K 109.5 . . ?
C101 C115 H11L 109.5 . . ?
C211 C117 H11A 109.5 . . ?
C211 C117 H11B 109.5 . . ?
C211 C117 H11C 109.5 . . ?
H11A C117 H11B 109.5 . . ?
H11A C117 H11C 109.5 . . ?
H11B C117 H11C 109.5 . . ?
C25 C119 H11M 109.5 . . ?
C25 C119 H11N 109.5 . . ?
C25 C119 H11O 109.5 . . ?
H11M C119 H11N 109.5 . . ?
H11M C119 H11O 109.5 . . ?
H11N C119 H11O 109.5 . . ?
C122 C120 C1 120.0(12) . . ?
C122 C120 C130 120.0 . . ?
C130 C120 C1 119.2(13) . . ?
O12 C122 C120 124.1(13) . . ?
O12 C122 C124 115.9(13) . . ?
C120 C122 C124 120.0 . . ?
C122 C124 C144 124.0(11) . . ?
C126 C124 C122 120.0 . . ?
C126 C124 C144 115.9(11) . . ?
C124 C126 C128 120.0 . . ?
C216 C126 C124 120.6(12) . . ?
C216 C126 C128 119.3(12) . . ?
O14 C128 C126 112.3(11) . . ?
O14 C128 C130 127.6(11) . . ?
C130 C128 C126 120.0 . . ?
C120 C130 C147 119.6(12) . . ?
C128 C130 C120 120.0 . . ?
C128 C130 C147 119.8(13) . . ?
H12A C121 H12B 109.5 . . ?
H12A C121 H12C 109.5 . . ?
H12B C121 H12C 109.5 . . ?
C109 C121 H12A 109.5 . . ?
C109 C121 H12B 109.5 . . ?
C109 C121 H12C 109.5 . . ?
H12D C123 H12E 109.5 . . ?
H12D C123 H12F 109.5 . . ?
H12E C123 H12F 109.5 . . ?
C215 C123 H12D 109.5 . . ?
C215 C123 H12E 109.5 . . ?
C215 C123 H12F 109.5 . . ?
C104 C125 H12J 109.5 . . ?
C104 C125 H12K 109.5 . . ?
C104 C125 H12L 109.5 . . ?
H12J C125 H12K 109.5 . . ?
H12J C125 H12L 109.5 . . ?
H12K C125 H12L 109.5 . . ?
C106 C127 H12M 109.5 . . ?
C106 C127 H12N 109.5 . . ?
C106 C127 H12O 109.5 . . ?
H12M C127 H12N 109.5 . . ?
H12M C127 H12O 109.5 . . ?
H12N C127 H12O 109.5 . . ?
H12G C129 H12H 109.5 . . ?
H12G C129 H12I 109.5 . . ?
H12H C129 H12I 109.5 . . ?
C222 C129 H12G 109.5 . . ?
C222 C129 H12H 109.5 . . ?
C222 C129 H12I 109.5 . . ?
C234 C137 C139 174(3) . . ?
C137 C139 C35 120.6(11) . . ?
C137 C139 C9 119.4(11) . . ?
C35 C139 C9 120.0 . . ?
C139 C35 C223 126.8(10) . . ?
C141 C35 C139 120.0 . . ?
C141 C35 C223 113.2(10) . . ?
C35 C141 C111 121.3(9) . . ?
C71 C141 C111 118.7(9) . . ?
C71 C141 C35 120.0 . . ?
C141 C71 C143 120.0 . . ?
C248 C71 C141 121.9(11) . . ?
C248 C71 C143 118.1(11) . . ?
C71 C143 C81 117.9(9) . . ?
C71 C143 C9 120.0 . . ?
C9 C143 C81 122.1(9) . . ?
C139 C9 C221 117.9(8) . . ?
C143 C9 C139 120.0 . . ?
C143 C9 C221 122.1(8) . . ?
C8 C142 O10 138.1(18) . . ?
C160 C142 O10 102.4(16) . . ?
C160 C142 C8 119.2(19) . . ?
C37 C144 H144 118.6 . . ?
C124 C144 C37 122.9(13) . . ?
C124 C144 H144 118.6 . . ?
C31 C145 C240 161.4(18) . . ?
C39 C146 H146 121.7 . . ?
C78 C146 C39 116.7(19) . . ?
C78 C146 H146 121.7 . . ?
O4 C147 C130 125.3(15) . . ?
C110 C147 O4 114.9(14) . . ?
C110 C147 C130 119.5(16) . . ?
C14 C148 H148 119.0 . . ?
C14 C148 C164 122(2) . . ?
C164 C148 H148 119.0 . . ?
C172 C149 H149 124.7 . . ?
C174 C149 H149 124.7 . . ?
C174 C149 C172 111(2) . . ?
C152 C150 C7 121.2(17) . . ?
C152 C150 C160 120.0 . . ?
C160 C150 C7 116.8(17) . . ?
C150 C152 H152 120.0 . . ?
C150 C152 C154 120.0 . . ?
C154 C152 H152 120.0 . . ?
C152 C154 H154 120.0 . . ?
C152 C154 C156 120.0 . . ?
C156 C154 H154 120.0 . . ?
C154 C156 H156 120.0 . . ?
C158 C156 C154 120.0 . . ?
C158 C156 H156 120.0 . . ?
C156 C158 H158 120.0 . . ?
C160 C158 C156 120.0 . . ?
C160 C158 H158 120.0 . . ?
C150 C160 C142 118.4(17) . . ?
C158 C160 C142 121.6(17) . . ?
C158 C160 C150 120.0 . . ?
C39 C157 C79 105(2) . . ?
C39 C157 H157 127.4 . . ?
C79 C157 H157 127.4 . . ?
H15D C159 H15E 109.5 . . ?
H15D C159 H15F 109.5 . . ?
H15E C159 H15F 109.5 . . ?
C230 C159 H15D 109.5 . . ?
C230 C159 H15E 109.5 . . ?
C230 C159 H15F 109.5 . . ?
H16A C161 H16B 109.5 . . ?
H16A C161 H16C 109.5 . . ?
H16B C161 H16C 109.5 . . ?
C228 C161 H16A 109.5 . . ?
C228 C161 H16B 109.5 . . ?
C228 C161 H16C 109.5 . . ?
C36 C162 C96 174(3) . . ?
C41 C163 Rh1 70.1(5) . . ?
C41 C163 C171 123.7(13) . . ?
C167 C163 Rh1 69.5(5) . . ?
C167 C163 C41 108.0 . . ?
C167 C163 C171 128.3(13) . . ?
C171 C163 Rh1 124.6(11) . . ?
C85 C41 Rh1 113.2(12) . . ?
C163 C41 Rh1 71.5(5) . . ?
C163 C41 C85 127.1(14) . . ?
C165 C41 Rh1 68.8(5) . . ?
C165 C41 C85 123.1(13) . . ?
C165 C41 C163 108.0 . . ?
C43 C165 Rh1 119.2(11) . . ?
C41 C165 Rh1 72.3(5) . . ?
C41 C165 C43 125.1(11) . . ?
C41 C165 C83 108.0 . . ?
C83 C165 Rh1 69.9(5) . . ?
C83 C165 C43 126.7(11) . . ?
C21 C83 Rh1 136.3(13) . . ?
C165 C83 Rh1 70.6(6) . . ?
C165 C83 C21 125.5(14) . . ?
C167 C83 Rh1 71.9(5) . . ?
C167 C83 C21 124.3(13) . . ?
C167 C83 C165 108.0 . . ?
C163 C167 Rh1 72.0(5) . . ?
C163 C167 C169 134.8(13) . . ?
C83 C167 Rh1 68.9(5) . . ?
C83 C167 C163 108.0 . . ?
C83 C167 C169 117.1(13) . . ?
C169 C167 Rh1 127.0(11) . . ?
C148 C164 H164 121.8 . . ?
C148 C164 C168 116(2) . . ?
C168 C164 H164 121.8 . . ?
C46 C166 H16D 109.5 . . ?
C46 C166 H16E 109.5 . . ?
C46 C166 H16F 109.5 . . ?
H16D C166 H16E 109.5 . . ?
H16D C166 H16F 109.5 . . ?
H16E C166 H16F 109.5 . . ?
C94 C168 C164 123(2) . . ?
C94 C168 H168 118.7 . . ?
C164 C168 H168 118.7 . . ?
C167 C169 H16G 109.5 . . ?
C167 C169 H16H 109.5 . . ?
C167 C169 H16I 109.5 . . ?
H16G C169 H16H 109.5 . . ?
H16G C169 H16I 109.5 . . ?
H16H C169 H16I 109.5 . . ?
C214 C170 C38 176(3) . . ?
C163 C171 H17A 109.5 . . ?
C163 C171 H17B 109.5 . . ?
C163 C171 H17C 109.5 . . ?
H17A C171 H17B 109.5 . . ?
H17A C171 H17C 109.5 . . ?
H17B C171 H17C 109.5 . . ?
C149 C172 H172 117.9 . . ?
C178 C172 C149 124(2) . . ?
C178 C172 H172 117.9 . . ?
C89 C173 H17D 109.5 . . ?
C89 C173 H17E 109.5 . . ?
C89 C173 H17F 109.5 . . ?
H17D C173 H17E 109.5 . . ?
H17D C173 H17F 109.5 . . ?
H17E C173 H17F 109.5 . . ?
C60 C174 H174 114.4 . . ?
C149 C174 C60 131(2) . . ?
C149 C174 H174 114.4 . . ?
C48 C176 H17G 109.5 . . ?
C48 C176 H17H 109.5 . . ?
C48 C176 H17I 109.5 . . ?
H17G C176 H17H 109.5 . . ?
H17G C176 H17I 109.5 . . ?
H17H C176 H17I 109.5 . . ?
C58 C178 C172 116(2) . . ?
C58 C178 H178 122.0 . . ?
C172 C178 H178 122.0 . . ?
C11 C179 H17J 109.5 . . ?
C11 C179 H17K 109.5 . . ?
C11 C179 H17L 109.5 . . ?
H17J C179 H17K 109.5 . . ?
H17J C179 H17L 109.5 . . ?
H17K C179 H17L 109.5 . . ?
C175 C181 H18A 109.5 . . ?
C175 C181 H18B 109.5 . . ?
C175 C181 H18C 109.5 . . ?
H18A C181 H18B 109.5 . . ?
H18A C181 H18C 109.5 . . ?
H18B C181 H18C 109.5 . . ?
C23 C187 H18D 109.5 . . ?
C23 C187 H18E 109.5 . . ?
C23 C187 H18F 109.5 . . ?
H18D C187 H18E 109.5 . . ?
H18D C187 H18F 109.5 . . ?
H18E C187 H18F 109.5 . . ?
C40 C190 H19A 109.5 . . ?
C40 C190 H19B 109.5 . . ?
C40 C190 H19C 109.5 . . ?
H19A C190 H19B 109.5 . . ?
H19A C190 H19C 109.5 . . ?
H19B C190 H19C 109.5 . . ?
C73 C192 C226 147(2) . . ?
C189 C193 H19D 109.5 . . ?
C189 C193 H19E 109.5 . . ?
C189 C193 H19F 109.5 . . ?
H19D C193 H19E 109.5 . . ?
H19D C193 H19F 109.5 . . ?
H19E C193 H19F 109.5 . . ?
C3 C195 H19G 109.5 . . ?
C3 C195 H19H 109.5 . . ?
C3 C195 H19I 109.5 . . ?
H19G C195 H19H 109.5 . . ?
H19G C195 H19I 109.5 . . ?
H19H C195 H19I 109.5 . . ?
C103 C201 Rh5 122.7(12) . . ?
C101 C201 Rh5 70.5(5) . . ?
C101 C201 C103 129.3(10) . . ?
C205 C201 Rh5 68.4(5) . . ?
C205 C201 C103 122.5(10) . . ?
C205 C201 C101 108.0 . . ?
C115 C101 Rh5 133.3(11) . . ?
C201 C101 Rh5 71.4(5) . . ?
C201 C101 C115 126.5(10) . . ?
C203 C101 Rh5 67.9(6) . . ?
C203 C101 C115 124.9(10) . . ?
C203 C101 C201 108.0 . . ?
C101 C203 Rh5 73.2(6) . . ?
C101 C203 C209 125.2(10) . . ?
C51 C203 Rh5 68.9(5) . . ?
C51 C203 C101 108.0 . . ?
C51 C203 C209 125.3(9) . . ?
C209 C203 Rh5 134.3(11) . . ?
C203 C51 Rh5 71.2(5) . . ?
C203 C51 C207 128.0(9) . . ?
C205 C51 Rh5 72.1(6) . . ?
C205 C51 C203 108.0 . . ?
C205 C51 C207 123.2(9) . . ?
C207 C51 Rh5 114.1(11) . . ?
C13 C205 Rh5 115.8(11) . . ?
C201 C205 Rh5 73.0(5) . . ?
C201 C205 C13 126.1(10) . . ?
C51 C205 Rh5 68.2(6) . . ?
C51 C205 C13 125.0(10) . . ?
C51 C205 C201 108.0 . . ?
C51 C207 H20A 109.5 . . ?
C51 C207 H20B 109.5 . . ?
C51 C207 H20C 109.5 . . ?
H20A C207 H20B 109.5 . . ?
H20A C207 H20C 109.5 . . ?
H20B C207 H20C 109.5 . . ?
C203 C209 H20D 109.5 . . ?
C203 C209 H20E 109.5 . . ?
C203 C209 H20F 109.5 . . ?
H20D C209 H20E 109.5 . . ?
H20D C209 H20F 109.5 . . ?
H20E C209 H20F 109.5 . . ?
C170 C214 C208 167(2) . . ?
C123 C215 Rh3 119.1(11) . . ?
C27 C215 Rh3 67.1(6) . . ?
C27 C215 C123 122.0(10) . . ?
C27 C215 C219 108.0 . . ?
C219 C215 Rh3 72.8(6) . . ?
C219 C215 C123 129.5(10) . . ?
C215 C27 Rh3 73.3(6) . . ?
C215 C27 C217 108.0 . . ?
C215 C27 C243 121.5(10) . . ?
C217 C27 Rh3 69.9(6) . . ?
C217 C27 C243 130.0(10) . . ?
C243 C27 Rh3 116.7(12) . . ?
C27 C217 Rh3 69.6(6) . . ?
C27 C217 C245 127.7(10) . . ?
C109 C217 Rh3 73.4(6) . . ?
C109 C217 C27 108.0 . . ?
C109 C217 C245 123.3(10) . . ?
C245 C217 Rh3 131.5(12) . . ?
C121 C109 Rh3 128.1(12) . . ?
C217 C109 Rh3 67.0(6) . . ?
C217 C109 C121 125.4(10) . . ?
C217 C109 C219 108.0 . . ?
C219 C109 Rh3 72.6(5) . . ?
C219 C109 C121 126.6(10) . . ?
C61 C219 Rh3 124.6(12) . . ?
C215 C219 Rh3 68.8(6) . . ?
C215 C219 C61 124.3(10) . . ?
C109 C219 Rh3 69.0(5) . . ?
C109 C219 C61 127.6(10) . . ?
C109 C219 C215 108.0 . . ?
C126 C216 H216 118.6 . . ?
C126 C216 C218 122.8(14) . . ?
C218 C216 H216 118.6 . . ?
C37 C218 C216 118.1(14) . . ?
C37 C218 H218 120.9 . . ?
C216 C218 H218 120.9 . . ?
C65 C220 C222 116.0(12) . . ?
C65 C220 C230 124.0(12) . . ?
C222 C220 C230 120.0 . . ?
C220 C222 C129 112.9(11) . . ?
C224 C222 C129 126.8(11) . . ?
C224 C222 C220 120.0 . . ?
C222 C224 C5 117.0(14) . . ?
C222 C224 C226 120.0 . . ?
C226 C224 C5 123.0(14) . . ?
C224 C226 C192 108.7(14) . . ?
C228 C226 C192 131.2(14) . . ?
C228 C226 C224 120.0 . . ?
C226 C228 C161 117.8(15) . . ?
C230 C228 C161 122.2(15) . . ?
C230 C228 C226 120.0 . . ?
C220 C230 C159 111.7(14) . . ?
C228 C230 C159 128.3(14) . . ?
C228 C230 C220 120.0 . . ?
C9 C221 H22D 109.5 . . ?
C9 C221 H22E 109.5 . . ?
C9 C221 H22F 109.5 . . ?
H22D C221 H22E 109.5 . . ?
H22D C221 H22F 109.5 . . ?
H22E C221 H22F 109.5 . . ?
C35 C223 H22G 109.5 . . ?
C35 C223 H22H 109.5 . . ?
C35 C223 H22I 109.5 . . ?
H22G C223 H22H 109.5 . . ?
H22G C223 H22I 109.5 . . ?
H22H C223 H22I 109.5 . . ?
C87 C225 H22A 109.5 . . ?
C87 C225 H22B 109.5 . . ?
C87 C225 H22C 109.5 . . ?
H22A C225 H22B 109.5 . . ?
H22A C225 H22C 109.5 . . ?
H22B C225 H22C 109.5 . . ?
C191 C227 H22J 109.5 . . ?
C191 C227 H22K 109.5 . . ?
C191 C227 H22L 109.5 . . ?
H22J C227 H22K 109.5 . . ?
H22J C227 H22L 109.5 . . ?
H22K C227 H22L 109.5 . . ?
C93 C229 H22M 109.5 . . ?
C93 C229 H22N 109.5 . . ?
C93 C229 H22O 109.5 . . ?
H22M C229 H22N 109.5 . . ?
H22M C229 H22O 109.5 . . ?
H22N C229 H22O 109.5 . . ?
C199 C231 H23J 109.5 . . ?
C199 C231 H23K 109.5 . . ?
C199 C231 H23L 109.5 . . ?
H23J C231 H23K 109.5 . . ?
H23J C231 H23L 109.5 . . ?
H23K C231 H23L 109.5 . . ?
C65 C232 C20 165(3) . . ?
C213 C233 H23A 109.5 . . ?
C213 C233 H23B 109.5 . . ?
C213 C233 H23C 109.5 . . ?
H23A C233 H23B 109.5 . . ?
H23A C233 H23C 109.5 . . ?
H23B C233 H23C 109.5 . . ?
C137 C234 C184 167.9(18) . . ?
C107 C235 H23D 109.5 . . ?
C107 C235 H23E 109.5 . . ?
C107 C235 H23F 109.5 . . ?
H23D C235 H23E 109.5 . . ?
H23D C235 H23F 109.5 . . ?
H23E C235 H23F 109.5 . . ?
C53 C237 H23G 109.5 . . ?
C53 C237 H23H 109.5 . . ?
C53 C237 H23I 109.5 . . ?
H23G C237 H23H 109.5 . . ?
H23G C237 H23I 109.5 . . ?
H23H C237 H23I 109.5 . . ?
C197 C239 H23M 109.5 . . ?
C197 C239 H23N 109.5 . . ?
C197 C239 H23O 109.5 . . ?
H23M C239 H23N 109.5 . . ?
H23M C239 H23O 109.5 . . ?
H23N C239 H23O 109.5 . . ?
C183 C241 H24G 109.5 . . ?
C183 C241 H24H 109.5 . . ?
C183 C241 H24I 109.5 . . ?
H24G C241 H24H 109.5 . . ?
H24G C241 H24I 109.5 . . ?
H24H C241 H24I 109.5 . . ?
C27 C243 H24A 109.5 . . ?
C27 C243 H24B 109.5 . . ?
C27 C243 H24C 109.5 . . ?
H24A C243 H24B 109.5 . . ?
H24A C243 H24C 109.5 . . ?
H24B C243 H24C 109.5 . . ?
C217 C245 H24D 109.5 . . ?
C217 C245 H24E 109.5 . . ?
C217 C245 H24F 109.5 . . ?
H24D C245 H24E 109.5 . . ?
H24D C245 H24F 109.5 . . ?
H24E C245 H24F 109.5 . . ?
C17 C246 C44 153(3) . . ?
C91 C247 H24J 109.5 . . ?
C91 C247 H24K 109.5 . . ?
C91 C247 H24L 109.5 . . ?
H24J C247 H24K 109.5 . . ?
H24J C247 H24L 109.5 . . ?
H24K C247 H24L 109.5 . . ?
C69 C248 C71 169(2) . . ?

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
Rh1 O4 C147 C110 -177.0(11) . . . . ?
Rh1 O4 C147 C130 -3(3) . . . . ?
Rh1 O14 C128 C126 -159.8(9) . . . . ?
Rh1 O14 C128 C130 17.3(19) . . . . ?
Rh1 N7 C131 C33 179.9(8) . . . . ?
Rh1 N7 C135 C67 -179.9(7) . . . . ?
Rh1 C163 C41 C85 -105.6(16) . . . . ?
Rh1 C163 C41 C165 59.4(5) . . . . ?
Rh1 C163 C167 C83 -59.8(5) . . . . ?
Rh1 C163 C167 C169 124.8(17) . . . . ?
Rh1 C41 C165 C43 -113.6(15) . . . . ?
Rh1 C41 C165 C83 61.1(5) . . . . ?
Rh1 C165 C83 C21 -133.7(16) . . . . ?
Rh1 C165 C83 C167 62.6(5) . . . . ?
Rh1 C83 C167 C163 61.8(5) . . . . ?
Rh1 C83 C167 C169 -121.8(13) . . . . ?
Rh2 O7 C68 C70 0(2) . . . . ?
Rh2 O7 C68 C78 179.9(9) . . . . ?
Rh2 O9 C52 C70 -13(3) . . . . ?
Rh2 O9 C52 C86 -170.9(11) . . . . ?
Rh2 N2 C194 C196 -176.3(6) . . . . ?
Rh2 N2 C202 C200 176.1(7) . . . . ?
Rh2 C87 C175 C11 64.0(6) . . . . ?
Rh2 C87 C175 C181 -119.8(17) . . . . ?
Rh2 C87 C89 C177 -62.3(5) . . . . ?
Rh2 C87 C89 C173 102.9(16) . . . . ?
Rh2 C175 C11 C177 63.1(5) . . . . ?
Rh2 C175 C11 C179 -116.2(13) . . . . ?
Rh2 C11 C177 C45 -116.9(14) . . . . ?
Rh2 C11 C177 C89 60.9(5) . . . . ?
Rh2 C177 C89 C87 60.3(5) . . . . ?
Rh2 C177 C89 C173 -108.4(11) . . . . ?
Rh3 O2 C74 C72 1.5(17) . . . . ?
Rh3 O2 C74 C76 178.3(8) . . . . ?
Rh3 O13 C50 C72 -1(3) . . . . ?
Rh3 O13 C50 C84 164.2(11) . . . . ?
Rh3 N5 C204 C206 -173.2(7) . . . . ?
Rh3 N5 C212 C210 173.0(7) . . . . ?
Rh3 C215 C27 C217 -61.7(6) . . . . ?
Rh3 C215 C27 C243 111.5(15) . . . . ?
Rh3 C215 C219 C61 -118.2(15) . . . . ?
Rh3 C215 C219 C109 58.0(5) . . . . ?
Rh3 C27 C217 C109 -63.9(6) . . . . ?
Rh3 C27 C217 C245 127.3(16) . . . . ?
Rh3 C217 C109 C121 121.3(15) . . . . ?
Rh3 C217 C109 C219 -61.4(5) . . . . ?
Rh3 C109 C219 C61 118.2(16) . . . . ?
Rh3 C109 C219 C215 -57.9(6) . . . . ?
Rh4 O6 C1 C108 -174.8(10) . . . . ?
Rh4 O6 C1 C120 12(3) . . . . ?
Rh4 O12 C122 C120 26.3(19) . . . . ?
Rh4 O12 C122 C124 -154.2(9) . . . . ?
Rh4 N1 C16 C18 179.3(7) . . . . ?
Rh4 N1 C24 C22 -179.3(6) . . . . ?
Rh4 C105 C211 C53 54.0(4) . . . . ?
Rh4 C105 C211 C117 -126.7(13) . . . . ?
Rh4 C105 C107 C213 -53.4(4) . . . . ?
Rh4 C105 C107 C235 129.1(8) . . . . ?
Rh4 C211 C53 C213 62.6(4) . . . . ?
Rh4 C211 C53 C237 -116.5(8) . . . . ?
Rh4 C53 C213 C107 67.9(4) . . . . ?
Rh4 C53 C213 C233 -114.0(8) . . . . ?
Rh4 C213 C107 C105 61.4(4) . . . . ?
Rh4 C213 C107 C235 -121.2(8) . . . . ?
Rh5 O3 C66 C64 1(3) . . . . ?
Rh5 O3 C66 C75 -171.2(9) . . . . ?
Rh5 O16 C62 C60 -178.1(7) . . . . ?
Rh5 O16 C62 C64 2.3(17) . . . . ?
Rh5 N6 C132 C134 176.1(7) . . . . ?
Rh5 N6 C140 C138 -176.3(7) . . . . ?
Rh5 C201 C101 C115 130.6(15) . . . . ?
Rh5 C201 C101 C203 -58.3(5) . . . . ?
Rh5 C201 C205 C13 -109.9(14) . . . . ?
Rh5 C201 C205 C51 59.5(5) . . . . ?
Rh5 C101 C203 C51 -60.4(5) . . . . ?
Rh5 C101 C203 C209 132.8(15) . . . . ?
Rh5 C203 C51 C205 -63.2(6) . . . . ?
Rh5 C203 C51 C207 106.3(15) . . . . ?
Rh5 C51 C205 C13 107.0(14) . . . . ?
Rh5 C51 C205 C201 -62.6(5) . . . . ?
Rh6 O8 C4 C6 5(2) . . . . ?
Rh6 O8 C4 C14 -179.7(9) . . . . ?
Rh6 O15 C7 C6 20(3) . . . . ?
Rh6 O15 C7 C150 -171.9(11) . . . . ?
Rh6 N8 C180 C182 -179.2(7) . . . . ?
Rh6 N8 C188 C186 179.2(7) . . . . ?
Rh6 C47 C189 C95 -62.9(6) . . . . ?
Rh6 C47 C189 C193 117.8(17) . . . . ?
Rh6 C47 C3 C191 59.8(5) . . . . ?
Rh6 C47 C3 C195 -118.4(16) . . . . ?
Rh6 C189 C95 C191 -62.7(6) . . . . ?
Rh6 C189 C95 C57 115.7(15) . . . . ?
Rh6 C95 C191 C3 -59.6(5) . . . . ?
Rh6 C95 C191 C227 107.9(18) . . . . ?
Rh6 C191 C3 C47 -57.9(6) . . . . ?
Rh6 C191 C3 C195 120.3(17) . . . . ?
Rh7 O5 C56 C54 -8.7(19) . . . . ?
Rh7 O5 C56 C58 176.6(8) . . . . ?
Rh7 O11 C80 C54 -4(3) . . . . ?
Rh7 O11 C80 C155 178.0(10) . . . . ?
Rh7 N3 C236 C238 170.7(8) . . . . ?
Rh7 N3 C244 C242 -171.7(7) . . . . ?
Rh7 C49 C197 C99 54.6(5) . . . . ?
Rh7 C49 C197 C239 -124.2(15) . . . . ?
Rh7 C49 C25 C199 -60.2(5) . . . . ?
Rh7 C49 C25 C119 128.9(16) . . . . ?
Rh7 C197 C99 C29 -124.3(14) . . . . ?
Rh7 C197 C99 C199 58.9(5) . . . . ?
Rh7 C99 C199 C25 68.3(6) . . . . ?
Rh7 C99 C199 C231 -125.9(14) . . . . ?
Rh7 C199 C25 C49 69.3(6) . . . . ?
Rh7 C199 C25 C119 -121.8(19) . . . . ?
Rh8 O1 C10 C8 20.9(19) . . . . ?
Rh8 O1 C10 C12 -176.4(8) . . . . ?
Rh8 O10 C142 C8 31(3) . . . . ?
Rh8 O10 C142 C160 -156.5(12) . . . . ?
Rh8 N4 C26 C28 172.9(8) . . . . ?
Rh8 N4 C34 C32 -173.2(8) . . . . ?
Rh8 C91 C183 C23 65.7(6) . . . . ?
Rh8 C91 C183 C241 -107.6(19) . . . . ?
Rh8 C91 C93 C185 -54.7(6) . . . . ?
Rh8 C91 C93 C229 118.2(19) . . . . ?
Rh8 C183 C23 C185 71.1(7) . . . . ?
Rh8 C183 C23 C187 -122.8(18) . . . . ?
Rh8 C23 C185 C93 62.0(6) . . . . ?
Rh8 C23 C185 C113 -120.8(16) . . . . ?
Rh8 C185 C93 C91 52.8(6) . . . . ?
Rh8 C185 C93 C229 -120.7(17) . . . . ?
O1 C10 C12 C14 -165.4(13) . . . . ?
O1 C10 C12 C94 15.3(15) . . . . ?
O2 C74 C76 C78 -176.9(12) . . . . ?
O2 C74 C76 C79 -3.6(15) . . . . ?
O3 C66 C75 C151 1(2) . . . . ?
O3 C66 C75 C155 179.8(11) . . . . ?
O5 C56 C58 C60 175.0(13) . . . . ?
O5 C56 C58 C178 -6.0(14) . . . . ?
O6 C1 C108 C110 -171.5(11) . . . . ?
O6 C1 C108 C118 11(2) . . . . ?
O6 C1 C120 C122 -9(3) . . . . ?
O6 C1 C120 C130 161.0(16) . . . . ?
O7 C68 C70 C52 -8.8(18) . . . . ?
O7 C68 C70 C72 -179.7(17) . . . . ?
O7 C68 C78 C76 179.8(13) . . . . ?
O7 C68 C78 C146 3.1(15) . . . . ?
O8 C4 C6 C8 175.6(15) . . . . ?
O8 C4 C6 C7 -7.0(19) . . . . ?
O8 C4 C14 C12 -175.7(14) . . . . ?
O8 C4 C14 C148 1.2(16) . . . . ?
O9 C52 C70 C68 16(3) . . . . ?
O9 C52 C70 C72 -173.8(17) . . . . ?
O9 C52 C86 C84 177.2(13) . . . . ?
O9 C52 C86 C88 -6(2) . . . . ?
O10 C142 C160 C150 178.9(11) . . . . ?
O10 C142 C160 C158 -1(2) . . . . ?
O12 C122 C124 C126 -179.5(14) . . . . ?
O12 C122 C124 C144 -2.7(16) . . . . ?
O13 C50 C72 C70 -177.1(17) . . . . ?
O13 C50 C72 C74 -7(3) . . . . ?
O13 C50 C84 C82 -1(2) . . . . ?
O13 C50 C84 C86 175.3(15) . . . . ?
O14 C128 C130 C120 -176.9(14) . . . . ?
O14 C128 C130 C147 -5.6(16) . . . . ?
O15 C7 C150 C152 12(2) . . . . ?
O15 C7 C150 C160 175.7(13) . . . . ?
O16 C62 C64 C54 179.6(15) . . . . ?
O16 C62 C64 C66 -10.7(17) . . . . ?
N1 C16 C18 C20 0.0 . . . . ?
C16 N1 C24 C22 0.0 . . . . ?
C16 C18 C20 C22 0.0 . . . . ?
C16 C18 C20 C232 -174.9(13) . . . . ?
C18 C20 C22 C24 0.0 . . . . ?
C18 C20 C232 C65 -19(7) . . . . ?
C20 C22 C24 N1 0.0 . . . . ?
C22 C20 C232 C65 166(7) . . . . ?
C24 N1 C16 C18 0.0 . . . . ?
N2 C194 C196 C198 0.0 . . . . ?
C194 N2 C202 C200 0.0 . . . . ?
C194 C196 C198 C200 0.0 . . . . ?
C194 C196 C198 C73 176.0(10) . . . . ?
C196 C198 C200 C202 0.0 . . . . ?
C196 C198 C73 C192 -179.6(9) . . . . ?
C198 C200 C202 N2 0.0 . . . . ?
C198 C73 C192 C226 167.5(18) . . . . ?
C200 C198 C73 C192 -3.7(16) . . . . ?
C202 N2 C194 C196 0.0 . . . . ?
N3 C236 C238 C240 0.0 . . . . ?
C236 N3 C244 C242 0.0 . . . . ?
C236 C238 C240 C242 0.0 . . . . ?
C236 C238 C240 C145 -167.4(12) . . . . ?
C238 C240 C242 C244 0.0 . . . . ?
C238 C240 C145 C31 -147(7) . . . . ?
C240 C242 C244 N3 0.0 . . . . ?
C242 C240 C145 C31 45(7) . . . . ?
C244 N3 C236 C238 0.0 . . . . ?
N4 C26 C28 C30 0.0 . . . . ?
C26 N4 C34 C32 0.0 . . . . ?
C26 C28 C30 C32 0.0 . . . . ?
C26 C28 C30 C36 178.3(13) . . . . ?
C28 C30 C32 C34 0.0 . . . . ?
C30 C32 C34 N4 0.0 . . . . ?
C34 N4 C26 C28 0.0 . . . . ?
N5 C204 C206 C208 0.0 . . . . ?
C204 N5 C212 C210 0.0 . . . . ?
C204 C206 C208 C210 0.0 . . . . ?
C204 C206 C208 C214 -171.7(13) . . . . ?
C206 C208 C210 C212 0.0 . . . . ?
C206 C208 C214 C170 -27(8) . . . . ?
C208 C210 C212 N5 0.0 . . . . ?
C210 C208 C214 C170 161(7) . . . . ?
C212 N5 C204 C206 0.0 . . . . ?
N6 C132 C134 C136 0.0 . . . . ?
C132 N6 C140 C138 0.0 . . . . ?
C132 C134 C136 C138 0.0 . . . . ?
C132 C134 C136 C69 -177.3(12) . . . . ?
C134 C136 C138 C140 0.0 . . . . ?
C136 C138 C140 N6 0.0 . . . . ?
C140 N6 C132 C134 0.0 . . . . ?
N7 C131 C33 C133 0.0 . . . . ?
C131 N7 C135 C67 0.0 . . . . ?
C131 C33 C133 C67 0.0 . . . . ?
C131 C33 C133 C17 -177.5(11) . . . . ?
C33 C133 C67 C135 0.0 . . . . ?
C33 C133 C17 C246 167(3) . . . . ?
C133 C67 C135 N7 0.0 . . . . ?
C133 C17 C246 C44 176(2) . . . . ?
C67 C133 C17 C246 -10(3) . . . . ?
C135 N7 C131 C33 0.0 . . . . ?
N8 C180 C182 C184 0.0 . . . . ?
C180 N8 C188 C186 0.0 . . . . ?
C180 C182 C184 C186 0.0 . . . . ?
C180 C182 C184 C234 -165.0(13) . . . . ?
C182 C184 C186 C188 0.0 . . . . ?
C182 C184 C234 C137 -86(11) . . . . ?
C184 C186 C188 N8 0.0 . . . . ?
C186 C184 C234 C137 108(11) . . . . ?
C188 N8 C180 C182 0.0 . . . . ?
C1 C108 C110 C112 -177.4(15) . . . . ?
C1 C108 C110 C147 -0.2(17) . . . . ?
C1 C108 C118 C116 177.5(14) . . . . ?
C1 C120 C122 O12 -11.0(15) . . . . ?
C1 C120 C122 C124 169.5(14) . . . . ?
C1 C120 C130 C128 -169.5(14) . . . . ?
C1 C120 C130 C147 19.2(17) . . . . ?
C2 C98 C100 C63 -0.7(5) . . . . ?
C2 C98 C100 C102 179.6(4) . . . . ?
C4 C6 C8 C10 0.0 . . . . ?
C4 C6 C8 C142 -177.5(17) . . . . ?
C4 C6 C7 O15 -5(3) . . . . ?
C4 C6 C7 C150 -171.2(16) . . . . ?
C4 C14 C148 C164 -173.4(16) . . . . ?
C6 C4 C14 C12 0.0 . . . . ?
C6 C4 C14 C148 176.9(16) . . . . ?
C6 C8 C10 O1 160.6(16) . . . . ?
C6 C8 C10 C12 0.0 . . . . ?
C6 C8 C142 O10 168(2) . . . . ?
C6 C8 C142 C160 -5(3) . . . . ?
C6 C7 C150 C152 179.1(17) . . . . ?
C6 C7 C150 C160 -17(3) . . . . ?
C8 C6 C7 O15 172.7(16) . . . . ?
C8 C6 C7 C150 6(3) . . . . ?
C8 C10 C12 C14 0.0 . . . . ?
C8 C10 C12 C94 -179.4(15) . . . . ?
C8 C142 C160 C150 -6(3) . . . . ?
C8 C142 C160 C158 173.5(14) . . . . ?
C10 C8 C142 O10 -10(3) . . . . ?
C10 C8 C142 C160 177.8(15) . . . . ?
C10 C12 C14 C4 0.0 . . . . ?
C10 C12 C14 C148 -176.8(17) . . . . ?
C10 C12 C94 C168 171.1(14) . . . . ?
C12 C14 C148 C164 4(3) . . . . ?
C12 C94 C168 C164 9(3) . . . . ?
C14 C4 C6 C8 0.0 . . . . ?
C14 C4 C6 C7 177.4(19) . . . . ?
C14 C12 C94 C168 -8(2) . . . . ?
C14 C148 C164 C168 -3(3) . . . . ?
C5 C224 C226 C192 -1.7(14) . . . . ?
C5 C224 C226 C228 -179.1(15) . . . . ?
C7 C6 C8 C10 -177.8(16) . . . . ?
C7 C6 C8 C142 4.7(19) . . . . ?
C7 C150 C152 C154 163.4(17) . . . . ?
C7 C150 C160 C142 15.9(18) . . . . ?
C7 C150 C160 C158 -164.1(17) . . . . ?
C15 C105 C211 Rh4 127.5(9) . . . . ?
C15 C105 C211 C53 -178.6(9) . . . . ?
C15 C105 C211 C117 0.7(16) . . . . ?
C15 C105 C107 Rh4 -128.0(9) . . . . ?
C15 C105 C107 C213 178.6(9) . . . . ?
C15 C105 C107 C235 1.1(10) . . . . ?
C17 C133 C67 C135 177.0(13) . . . . ?
C21 C83 C167 Rh1 134.3(16) . . . . ?
C21 C83 C167 C163 -163.9(18) . . . . ?
C21 C83 C167 C169 12(2) . . . . ?
C29 C99 C199 Rh7 115.2(16) . . . . ?
C29 C99 C199 C25 -176.5(18) . . . . ?
C29 C99 C199 C231 -11(2) . . . . ?
C31 C102 C104 C106 -179.4(4) . . . . ?
C31 C102 C104 C125 -0.6(5) . . . . ?
C36 C30 C32 C34 -178.2(14) . . . . ?
C38 C40 C42 C44 0.0 . . . . ?
C38 C40 C42 C55 179.9(7) . . . . ?
C40 C38 C48 C46 0.0 . . . . ?
C40 C38 C48 C176 -178.8(6) . . . . ?
C40 C42 C44 C46 0.0 . . . . ?
C40 C42 C44 C246 -177.1(10) . . . . ?
C42 C44 C46 C48 0.0 . . . . ?
C42 C44 C46 C166 -178.2(9) . . . . ?
C42 C44 C246 C17 -14(4) . . . . ?
C44 C46 C48 C38 0.0 . . . . ?
C44 C46 C48 C176 178.4(8) . . . . ?
C46 C44 C246 C17 169(3) . . . . ?
C48 C38 C40 C42 0.0 . . . . ?
C48 C38 C40 C190 -179.5(7) . . . . ?
C43 C165 C83 Rh1 112.0(15) . . . . ?
C43 C165 C83 C21 -22(2) . . . . ?
C43 C165 C83 C167 174.6(17) . . . . ?
C45 C177 C89 Rh2 117.1(16) . . . . ?
C45 C177 C89 C87 177.5(18) . . . . ?
C45 C177 C89 C173 8.7(18) . . . . ?
C47 C189 C95 Rh6 62.7(6) . . . . ?
C47 C189 C95 C191 0.0 . . . . ?
C47 C189 C95 C57 178.4(17) . . . . ?
C189 C47 C3 Rh6 -59.8(5) . . . . ?
C189 C47 C3 C191 0.0 . . . . ?
C189 C47 C3 C195 -178.3(19) . . . . ?
C189 C95 C191 Rh6 59.6(5) . . . . ?
C189 C95 C191 C3 0.0 . . . . ?
C189 C95 C191 C227 168(2) . . . . ?
C95 C191 C3 Rh6 57.9(6) . . . . ?
C95 C191 C3 C47 0.0 . . . . ?
C95 C191 C3 C195 178.2(19) . . . . ?
C3 C47 C189 Rh6 62.9(6) . . . . ?
C3 C47 C189 C95 0.0 . . . . ?
C3 C47 C189 C193 -179.3(19) . . . . ?
C49 C197 C99 Rh7 -58.9(5) . . . . ?
C49 C197 C99 C29 176.9(16) . . . . ?
C49 C197 C99 C199 0.0 . . . . ?
C197 C49 C25 Rh7 60.2(5) . . . . ?
C197 C49 C25 C199 0.0 . . . . ?
C197 C49 C25 C119 -170.8(17) . . . . ?
C197 C99 C199 Rh7 -68.3(6) . . . . ?
C197 C99 C199 C25 0.0 . . . . ?
C197 C99 C199 C231 165.8(15) . . . . ?
C99 C199 C25 Rh7 -69.3(6) . . . . ?
C99 C199 C25 C49 0.0 . . . . ?
C99 C199 C25 C119 169(2) . . . . ?
C25 C49 C197 Rh7 -54.6(5) . . . . ?
C25 C49 C197 C99 0.0 . . . . ?
C25 C49 C197 C239 -178.7(17) . . . . ?
C50 C72 C74 O2 6.6(15) . . . . ?
C50 C72 C74 C76 -170.1(14) . . . . ?
C50 C84 C86 C52 1.1(18) . . . . ?
C50 C84 C86 C88 -175.6(15) . . . . ?
C52 C70 C72 C50 0.1(17) . . . . ?
C52 C70 C72 C74 -170.1(16) . . . . ?
C52 C86 C88 C90 -176.9(16) . . . . ?
C54 C56 C58 C60 0.0 . . . . ?
C54 C56 C58 C178 179.0(15) . . . . ?
C54 C64 C66 O3 178.5(14) . . . . ?
C54 C64 C66 C75 -10(2) . . . . ?
C56 C54 C64 C62 0.0 . . . . ?
C56 C54 C64 C66 -170.3(14) . . . . ?
C56 C54 C80 O11 -2(3) . . . . ?
C56 C54 C80 C155 175.5(13) . . . . ?
C56 C58 C60 C62 0.0 . . . . ?
C56 C58 C60 C174 -172.7(14) . . . . ?
C56 C58 C178 C172 177.5(14) . . . . ?
C58 C60 C62 O16 -179.7(11) . . . . ?
C58 C60 C62 C64 0.0 . . . . ?
C58 C60 C174 C149 -15(3) . . . . ?
C60 C58 C178 C172 -4(2) . . . . ?
C60 C62 C64 C54 0.0 . . . . ?
C60 C62 C64 C66 169.7(15) . . . . ?
C62 C60 C174 C149 173(2) . . . . ?
C62 C64 C66 O3 9(2) . . . . ?
C62 C64 C66 C75 179.7(13) . . . . ?
C64 C54 C56 O5 -174.4(14) . . . . ?
C64 C54 C56 C58 0.0 . . . . ?
C64 C54 C80 O11 -179.0(16) . . . . ?
C64 C54 C80 C155 -2(2) . . . . ?
C64 C66 C75 C151 -171.1(13) . . . . ?
C64 C66 C75 C155 8(2) . . . . ?
C55 C42 C44 C46 -179.9(7) . . . . ?
C55 C42 C44 C246 3.1(10) . . . . ?
C57 C95 C191 Rh6 -118.9(16) . . . . ?
C57 C95 C191 C3 -178.5(17) . . . . ?
C57 C95 C191 C227 -11(2) . . . . ?
C59 C49 C197 Rh7 96.8(15) . . . . ?
C59 C49 C197 C99 151.4(17) . . . . ?
C59 C49 C197 C239 -27(2) . . . . ?
C59 C49 C25 Rh7 -85.0(18) . . . . ?
C59 C49 C25 C199 -145.2(19) . . . . ?
C59 C49 C25 C119 44(2) . . . . ?
C63 C100 C102 C31 -0.3(5) . . . . ?
C63 C100 C102 C104 -179.7(5) . . . . ?
C65 C220 C222 C129 5.6(15) . . . . ?
C65 C220 C222 C224 179.6(12) . . . . ?
C65 C220 C230 C159 0.6(16) . . . . ?
C65 C220 C230 C228 -179.6(13) . . . . ?
C66 C75 C151 C19 178.6(14) . . . . ?
C66 C75 C155 C77 -178.7(13) . . . . ?
C66 C75 C155 C80 -1.5(15) . . . . ?
C68 C70 C72 C50 170.2(14) . . . . ?
C68 C70 C72 C74 0.0 . . . . ?
C68 C78 C146 C39 178.5(13) . . . . ?
C70 C52 C86 C84 17(2) . . . . ?
C70 C52 C86 C88 -166.6(13) . . . . ?
C70 C68 C78 C76 0.0 . . . . ?
C70 C68 C78 C146 -176.7(16) . . . . ?
C70 C72 C74 O2 176.7(13) . . . . ?
C70 C72 C74 C76 0.0 . . . . ?
C72 C50 C84 C82 167.2(10) . . . . ?
C72 C50 C84 C86 -17(2) . . . . ?
C72 C74 C76 C78 0.0 . . . . ?
C72 C74 C76 C79 173.3(14) . . . . ?
C74 C76 C78 C68 0.0 . . . . ?
C74 C76 C78 C146 177.0(14) . . . . ?
C74 C76 C79 C157 171.1(17) . . . . ?
C76 C78 C146 C39 2(2) . . . . ?
C76 C79 C157 C39 18(3) . . . . ?
C78 C68 C70 C52 170.9(15) . . . . ?
C78 C68 C70 C72 0.0 . . . . ?
C78 C76 C79 C157 -16(3) . . . . ?
C69 C136 C138 C140 177.6(10) . . . . ?
C73 C198 C200 C202 -175.8(10) . . . . ?
C73 C192 C226 C224 179.3(10) . . . . ?
C73 C192 C226 C228 -3.7(18) . . . . ?
C75 C151 C19 C153 0.0 . . . . ?
C75 C155 C80 O11 176.6(11) . . . . ?
C75 C155 C80 C54 -1(2) . . . . ?
C151 C75 C155 C77 0.0 . . . . ?
C151 C75 C155 C80 177.2(15) . . . . ?
C151 C19 C153 C77 0.0 . . . . ?
C19 C153 C77 C155 0.0 . . . . ?
C153 C77 C155 C75 0.0 . . . . ?
C153 C77 C155 C80 -177.3(14) . . . . ?
C77 C155 C80 O11 -6(2) . . . . ?
C77 C155 C80 C54 176.1(12) . . . . ?
C155 C75 C151 C19 0.0 . . . . ?
C79 C76 C78 C68 -173.1(14) . . . . ?
C79 C76 C78 C146 3.9(16) . . . . ?
C80 C54 C56 O5 8.3(16) . . . . ?
C80 C54 C56 C58 -177.3(14) . . . . ?
C80 C54 C64 C62 177.3(14) . . . . ?
C80 C54 C64 C66 6.9(16) . . . . ?
C81 C143 C9 C139 179.4(5) . . . . ?
C81 C143 C9 C221 -0.9(8) . . . . ?
C82 C84 C86 C52 176.8(16) . . . . ?
C82 C84 C86 C88 0.0 . . . . ?
C84 C50 C72 C70 15.9(19) . . . . ?
C84 C50 C72 C74 -173.9(11) . . . . ?
C84 C82 C92 C90 0.0 . . . . ?
C84 C86 C88 C90 0.0 . . . . ?
C86 C52 C70 C68 172.2(14) . . . . ?
C86 C52 C70 C72 -17(2) . . . . ?
C86 C88 C90 C92 0.0 . . . . ?
C88 C90 C92 C82 0.0 . . . . ?
C92 C82 C84 C50 176.0(14) . . . . ?
C92 C82 C84 C86 0.0 . . . . ?
C85 C41 C165 Rh1 104.6(15) . . . . ?
C85 C41 C165 C43 -9(2) . . . . ?
C85 C41 C165 C83 165.7(17) . . . . ?
C87 C175 C11 Rh2 -63.1(5) . . . . ?
C87 C175 C11 C177 0.0 . . . . ?
C87 C175 C11 C179 -179.3(15) . . . . ?
C175 C87 C89 Rh2 62.3(5) . . . . ?
C175 C87 C89 C177 0.0 . . . . ?
C175 C87 C89 C173 165.1(18) . . . . ?
C175 C11 C177 Rh2 -60.9(5) . . . . ?
C175 C11 C177 C45 -177.8(16) . . . . ?
C175 C11 C177 C89 0.0 . . . . ?
C11 C177 C89 Rh2 -60.3(5) . . . . ?
C11 C177 C89 C87 0.0 . . . . ?
C11 C177 C89 C173 -168.8(13) . . . . ?
C89 C87 C175 Rh2 -64.0(6) . . . . ?
C89 C87 C175 C11 0.0 . . . . ?
C89 C87 C175 C181 176.2(19) . . . . ?
C91 C183 C23 Rh8 -71.1(7) . . . . ?
C91 C183 C23 C185 0.0 . . . . ?
C91 C183 C23 C187 166(2) . . . . ?
C183 C91 C93 Rh8 54.7(6) . . . . ?
C183 C91 C93 C185 0.0 . . . . ?
C183 C91 C93 C229 173(2) . . . . ?
C183 C23 C185 Rh8 -62.0(6) . . . . ?
C183 C23 C185 C93 0.0 . . . . ?
C183 C23 C185 C113 177.2(19) . . . . ?
C23 C185 C93 Rh8 -52.8(6) . . . . ?
C23 C185 C93 C91 0.0 . . . . ?
C23 C185 C93 C229 -174(2) . . . . ?
C93 C91 C183 Rh8 -65.7(6) . . . . ?
C93 C91 C183 C23 0.0 . . . . ?
C93 C91 C183 C241 -173(2) . . . . ?
C94 C12 C14 C4 179.4(15) . . . . ?
C94 C12 C14 C148 2.6(18) . . . . ?
C96 C98 C100 C63 179.7(5) . . . . ?
C96 C98 C100 C102 0.0 . . . . ?
C98 C96 C106 C104 0.0 . . . . ?
C98 C96 C106 C127 -179.5(5) . . . . ?
C98 C100 C102 C31 179.4(4) . . . . ?
C98 C100 C102 C104 0.0 . . . . ?
C100 C102 C104 C106 0.0 . . . . ?
C100 C102 C104 C125 178.9(5) . . . . ?
C102 C104 C106 C96 0.0 . . . . ?
C102 C104 C106 C127 179.6(4) . . . . ?
C106 C96 C98 C2 -179.6(3) . . . . ?
C106 C96 C98 C100 0.0 . . . . ?
C97 C47 C189 Rh6 -119.5(14) . . . . ?
C97 C47 C189 C95 177.5(16) . . . . ?
C97 C47 C189 C193 -2(2) . . . . ?
C97 C47 C3 Rh6 122.7(15) . . . . ?
C97 C47 C3 C191 -177.4(17) . . . . ?
C97 C47 C3 C195 4(2) . . . . ?
C103 C201 C101 Rh5 -116.7(16) . . . . ?
C103 C201 C101 C115 14(2) . . . . ?
C103 C201 C101 C203 -175.0(18) . . . . ?
C103 C201 C205 Rh5 115.9(15) . . . . ?
C103 C201 C205 C13 6.0(19) . . . . ?
C103 C201 C205 C51 175.4(17) . . . . ?
C105 C211 C53 Rh4 -62.6(4) . . . . ?
C105 C211 C53 C213 0.0 . . . . ?
C105 C211 C53 C237 -179.1(8) . . . . ?
C211 C105 C107 Rh4 53.4(4) . . . . ?
C211 C105 C107 C213 0.0 . . . . ?
C211 C105 C107 C235 -177.5(8) . . . . ?
C211 C53 C213 Rh4 -67.9(4) . . . . ?
C211 C53 C213 C107 0.0 . . . . ?
C211 C53 C213 C233 178.1(8) . . . . ?
C53 C213 C107 Rh4 -61.4(4) . . . . ?
C53 C213 C107 C105 0.0 . . . . ?
C53 C213 C107 C235 177.4(8) . . . . ?
C107 C105 C211 Rh4 -54.0(4) . . . . ?
C107 C105 C211 C53 0.0 . . . . ?
C107 C105 C211 C117 179.3(14) . . . . ?
C108 C1 C120 C122 178.3(11) . . . . ?
C108 C1 C120 C130 -12(2) . . . . ?
C108 C110 C112 C114 0.0 . . . . ?
C108 C110 C147 O4 -178.9(12) . . . . ?
C108 C110 C147 C130 7(2) . . . . ?
C110 C108 C118 C116 0.0 . . . . ?
C110 C112 C114 C116 0.0 . . . . ?
C112 C110 C147 O4 -2(2) . . . . ?
C112 C110 C147 C130 -175.9(12) . . . . ?
C112 C114 C116 C118 0.0 . . . . ?
C114 C116 C118 C108 0.0 . . . . ?
C118 C108 C110 C112 0.0 . . . . ?
C118 C108 C110 C147 177.2(15) . . . . ?
C111 C141 C71 C143 179.2(5) . . . . ?
C111 C141 C71 C248 0.4(7) . . . . ?
C113 C185 C93 Rh8 130.3(19) . . . . ?
C113 C185 C93 C91 -177(2) . . . . ?
C113 C185 C93 C229 10(3) . . . . ?
C115 C101 C203 Rh5 -128.3(14) . . . . ?
C115 C101 C203 C51 171.3(16) . . . . ?
C115 C101 C203 C209 5(2) . . . . ?
C117 C211 C53 Rh4 118.1(12) . . . . ?
C117 C211 C53 C213 -179.4(12) . . . . ?
C117 C211 C53 C237 1.5(14) . . . . ?
C120 C1 C108 C110 3(2) . . . . ?
C120 C1 C108 C118 -174.7(12) . . . . ?
C120 C122 C124 C126 0.0 . . . . ?
C120 C122 C124 C144 176.9(13) . . . . ?
C120 C130 C147 O4 169.8(15) . . . . ?
C120 C130 C147 C110 -17(2) . . . . ?
C122 C120 C130 C128 0.0 . . . . ?
C122 C120 C130 C147 -171.3(13) . . . . ?
C122 C124 C126 C128 0.0 . . . . ?
C122 C124 C126 C216 -178.7(14) . . . . ?
C122 C124 C144 C37 175.2(12) . . . . ?
C124 C126 C128 O14 177.3(12) . . . . ?
C124 C126 C128 C130 0.0 . . . . ?
C124 C126 C216 C218 0(3) . . . . ?
C126 C124 C144 C37 -8(2) . . . . ?
C126 C128 C130 C120 0.0 . . . . ?
C126 C128 C130 C147 171.3(13) . . . . ?
C126 C216 C218 C37 -1(3) . . . . ?
C128 C126 C216 C218 -178.6(16) . . . . ?
C128 C130 C147 O4 -1(2) . . . . ?
C128 C130 C147 C110 172.1(13) . . . . ?
C130 C120 C122 O12 179.5(15) . . . . ?
C130 C120 C122 C124 0.0 . . . . ?
C121 C109 C219 Rh3 -124.9(16) . . . . ?
C121 C109 C219 C61 -7(2) . . . . ?
C121 C109 C219 C215 177.2(17) . . . . ?
C123 C215 C27 Rh3 -111.0(14) . . . . ?
C123 C215 C27 C217 -172.6(16) . . . . ?
C123 C215 C27 C243 0.5(19) . . . . ?
C123 C215 C219 Rh3 113.9(16) . . . . ?
C123 C215 C219 C61 -4(2) . . . . ?
C123 C215 C219 C109 171.9(17) . . . . ?
C125 C104 C106 C96 -178.9(4) . . . . ?
C125 C104 C106 C127 0.6(5) . . . . ?
C129 C222 C224 C5 -7.7(16) . . . . ?
C129 C222 C224 C226 173.1(15) . . . . ?
C137 C139 C35 C141 -179.5(6) . . . . ?
C137 C139 C35 C223 -0.2(7) . . . . ?
C137 C139 C9 C143 179.5(6) . . . . ?
C137 C139 C9 C221 -0.2(7) . . . . ?
C139 C35 C141 C111 -179.2(6) . . . . ?
C139 C35 C141 C71 0.0 . . . . ?
C35 C139 C9 C143 0.0 . . . . ?
C35 C139 C9 C221 -179.7(5) . . . . ?
C35 C141 C71 C143 0.0 . . . . ?
C35 C141 C71 C248 -178.8(8) . . . . ?
C141 C71 C143 C81 -179.4(5) . . . . ?
C141 C71 C143 C9 0.0 . . . . ?
C141 C71 C248 C69 -5(6) . . . . ?
C71 C143 C9 C139 0.0 . . . . ?
C71 C143 C9 C221 179.7(5) . . . . ?
C143 C71 C248 C69 176(5) . . . . ?
C9 C139 C35 C141 0.0 . . . . ?
C9 C139 C35 C223 179.3(5) . . . . ?
C142 C8 C10 O1 -21.7(18) . . . . ?
C142 C8 C10 C12 177.7(16) . . . . ?
C144 C37 C218 C216 -2(3) . . . . ?
C144 C124 C126 C128 -177.1(12) . . . . ?
C144 C124 C126 C216 4.2(16) . . . . ?
C145 C240 C242 C244 167.6(11) . . . . ?
C146 C39 C157 C79 -13(3) . . . . ?
C147 C110 C112 C114 -177.1(15) . . . . ?
C148 C164 C168 C94 -3(3) . . . . ?
C149 C172 C178 C58 3(3) . . . . ?
C150 C152 C154 C156 0.0 . . . . ?
C152 C150 C160 C142 -180.0(17) . . . . ?
C152 C150 C160 C158 0.0 . . . . ?
C152 C154 C156 C158 0.0 . . . . ?
C154 C156 C158 C160 0.0 . . . . ?
C156 C158 C160 C142 180.0(17) . . . . ?
C156 C158 C160 C150 0.0 . . . . ?
C160 C150 C152 C154 0.0 . . . . ?
C157 C39 C146 C78 4(4) . . . . ?
C161 C228 C230 C159 0.6(18) . . . . ?
C161 C228 C230 C220 -179.1(14) . . . . ?
C162 C96 C98 C2 0.2(5) . . . . ?
C162 C96 C98 C100 179.9(5) . . . . ?
C162 C96 C106 C104 -179.9(4) . . . . ?
C162 C96 C106 C127 0.6(6) . . . . ?
C163 C41 C165 Rh1 -61.1(5) . . . . ?
C163 C41 C165 C43 -174.7(17) . . . . ?
C163 C41 C165 C83 0.0 . . . . ?
C41 C163 C167 Rh1 59.8(5) . . . . ?
C41 C163 C167 C83 0.0 . . . . ?
C41 C163 C167 C169 -175.5(19) . . . . ?
C41 C165 C83 Rh1 -62.6(5) . . . . ?
C41 C165 C83 C21 163.7(18) . . . . ?
C41 C165 C83 C167 0.0 . . . . ?
C165 C83 C167 Rh1 -61.8(5) . . . . ?
C165 C83 C167 C163 0.0 . . . . ?
C165 C83 C167 C169 176.4(15) . . . . ?
C167 C163 C41 Rh1 -59.4(5) . . . . ?
C167 C163 C41 C85 -165.0(18) . . . . ?
C167 C163 C41 C165 0.0 . . . . ?
C166 C46 C48 C38 178.4(8) . . . . ?
C166 C46 C48 C176 -3.2(10) . . . . ?
C170 C38 C40 C42 -179.7(8) . . . . ?
C170 C38 C40 C190 0.8(9) . . . . ?
C170 C38 C48 C46 179.7(8) . . . . ?
C170 C38 C48 C176 0.9(9) . . . . ?
C171 C163 C41 Rh1 119.0(14) . . . . ?
C171 C163 C41 C85 13(2) . . . . ?
C171 C163 C41 C165 178.4(16) . . . . ?
C171 C163 C167 Rh1 -118.5(15) . . . . ?
C171 C163 C167 C83 -178.3(17) . . . . ?
C171 C163 C167 C169 6(2) . . . . ?
C172 C149 C174 C60 13(4) . . . . ?
C174 C60 C62 O16 -8.1(16) . . . . ?
C174 C60 C62 C64 171.6(16) . . . . ?
C174 C149 C172 C178 -6(3) . . . . ?
C178 C58 C60 C62 -178.9(16) . . . . ?
C178 C58 C60 C174 8.4(17) . . . . ?
C179 C11 C177 Rh2 118.2(18) . . . . ?
C179 C11 C177 C45 1(2) . . . . ?
C179 C11 C177 C89 179.1(19) . . . . ?
C181 C175 C11 Rh2 120.5(16) . . . . ?
C181 C175 C11 C177 -176.4(17) . . . . ?
C181 C175 C11 C179 4.3(19) . . . . ?
C187 C23 C185 Rh8 130.3(16) . . . . ?
C187 C23 C185 C93 -167.8(18) . . . . ?
C187 C23 C185 C113 9(2) . . . . ?
C190 C40 C42 C44 179.5(7) . . . . ?
C190 C40 C42 C55 -0.6(9) . . . . ?
C192 C226 C228 C161 2.4(15) . . . . ?
C192 C226 C228 C230 -176.8(12) . . . . ?
C193 C189 C95 Rh6 -118.0(18) . . . . ?
C193 C189 C95 C191 179(2) . . . . ?
C193 C189 C95 C57 -2(2) . . . . ?
C201 C101 C203 Rh5 60.4(5) . . . . ?
C201 C101 C203 C51 0.0 . . . . ?
C201 C101 C203 C209 -166.8(16) . . . . ?
C101 C201 C205 Rh5 -59.5(5) . . . . ?
C101 C201 C205 C13 -169.4(16) . . . . ?
C101 C201 C205 C51 0.0 . . . . ?
C101 C203 C51 Rh5 63.2(6) . . . . ?
C101 C203 C51 C205 0.0 . . . . ?
C101 C203 C51 C207 169.5(18) . . . . ?
C203 C51 C205 Rh5 62.6(5) . . . . ?
C203 C51 C205 C13 169.5(16) . . . . ?
C203 C51 C205 C201 0.0 . . . . ?
C205 C201 C101 Rh5 58.3(5) . . . . ?
C205 C201 C101 C115 -171.1(16) . . . . ?
C205 C201 C101 C203 0.0 . . . . ?
C207 C51 C205 Rh5 -107.5(14) . . . . ?
C207 C51 C205 C13 -1(2) . . . . ?
C207 C51 C205 C201 -170.1(17) . . . . ?
C209 C203 C51 Rh5 -130.1(15) . . . . ?
C209 C203 C51 C205 166.7(17) . . . . ?
C209 C203 C51 C207 -24(2) . . . . ?
C214 C208 C210 C212 172.4(12) . . . . ?
C215 C27 C217 Rh3 63.9(6) . . . . ?
C215 C27 C217 C109 0.0 . . . . ?
C215 C27 C217 C245 -168.8(18) . . . . ?
C27 C215 C219 Rh3 -58.0(5) . . . . ?
C27 C215 C219 C61 -176.2(17) . . . . ?
C27 C215 C219 C109 0.0 . . . . ?
C27 C217 C109 Rh3 61.4(5) . . . . ?
C27 C217 C109 C121 -177.3(17) . . . . ?
C27 C217 C109 C219 0.0 . . . . ?
C217 C109 C219 Rh3 57.9(6) . . . . ?
C217 C109 C219 C61 176.0(18) . . . . ?
C217 C109 C219 C215 0.0 . . . . ?
C219 C215 C27 Rh3 61.7(6) . . . . ?
C219 C215 C27 C217 0.0 . . . . ?
C219 C215 C27 C243 173.1(17) . . . . ?
C216 C126 C128 O14 -4.0(14) . . . . ?
C216 C126 C128 C130 178.7(14) . . . . ?
C218 C37 C144 C124 7(3) . . . . ?
C220 C65 C232 C20 -169(5) . . . . ?
C220 C222 C224 C5 179.2(14) . . . . ?
C220 C222 C224 C226 0.0 . . . . ?
C222 C220 C230 C159 -179.8(15) . . . . ?
C222 C220 C230 C228 0.0 . . . . ?
C222 C224 C226 C192 177.4(9) . . . . ?
C222 C224 C226 C228 0.0 . . . . ?
C224 C226 C228 C161 179.2(13) . . . . ?
C224 C226 C228 C230 0.0 . . . . ?
C226 C228 C230 C159 179.7(17) . . . . ?
C226 C228 C230 C220 0.0 . . . . ?
C230 C220 C222 C129 -174.0(13) . . . . ?
C230 C220 C222 C224 0.0 . . . . ?
C223 C35 C141 C111 1.4(7) . . . . ?
C223 C35 C141 C71 -179.4(4) . . . . ?
C225 C87 C175 Rh2 104(2) . . . . ?
C225 C87 C175 C11 168(2) . . . . ?
C225 C87 C175 C181 -16(3) . . . . ?
C225 C87 C89 Rh2 -110.5(11) . . . . ?
C225 C87 C89 C177 -172.7(13) . . . . ?
C225 C87 C89 C173 -8(2) . . . . ?
C227 C191 C3 Rh6 -110.4(16) . . . . ?
C227 C191 C3 C47 -168.3(18) . . . . ?
C227 C191 C3 C195 10(2) . . . . ?
C231 C199 C25 Rh7 129.7(18) . . . . ?
C231 C199 C25 C49 -161(2) . . . . ?
C231 C199 C25 C119 8(3) . . . . ?
C232 C20 C22 C24 175.6(11) . . . . ?
C232 C65 C220 C222 169(8) . . . . ?
C232 C65 C220 C230 -11(9) . . . . ?
C233 C213 C107 Rh4 120.6(8) . . . . ?
C233 C213 C107 C105 -177.9(8) . . . . ?
C233 C213 C107 C235 -0.6(10) . . . . ?
C234 C184 C186 C188 168.3(10) . . . . ?
C237 C53 C213 Rh4 111.2(8) . . . . ?
C237 C53 C213 C107 179.1(8) . . . . ?
C237 C53 C213 C233 -2.8(9) . . . . ?
C239 C197 C99 Rh7 119.7(18) . . . . ?
C239 C197 C99 C29 -5(2) . . . . ?
C239 C197 C99 C199 178.5(19) . . . . ?
C241 C183 C23 Rh8 102.3(18) . . . . ?
C241 C183 C23 C185 173(2) . . . . ?
C241 C183 C23 C187 -20(3) . . . . ?
C243 C27 C217 Rh3 -108.5(17) . . . . ?
C243 C27 C217 C109 -172.3(19) . . . . ?
C243 C27 C217 C245 19(2) . . . . ?
C245 C217 C109 Rh3 -129.2(15) . . . . ?
C245 C217 C109 C121 -8(2) . . . . ?
C245 C217 C109 C219 169.4(17) . . . . ?
C246 C44 C46 C48 177.3(9) . . . . ?
C246 C44 C46 C166 -0.9(9) . . . . ?
C247 C91 C183 Rh8 103.2(17) . . . . ?
C247 C91 C183 C23 169(2) . . . . ?
C247 C91 C183 C241 -4(2) . . . . ?
C247 C91 C93 Rh8 -113(2) . . . . ?
C247 C91 C93 C185 -168(2) . . . . ?
C247 C91 C93 C229 5(3) . . . . ?
C248 C71 C143 C81 -0.6(7) . . . . ?
C248 C71 C143 C9 178.9(7) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 5774 electrons were 
found in a volume of 15988Å³ in 1 void per unit cell. 
This is consistent with the presence of 
20[CF3SO3] per Asymmetric Unit 
which account for 5840 electrons 
per unit cell.
;
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 -0.671 -0.995 -0.012 15988.0 5773.6 '80 CF3SO3'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.896
_oxdiff_exptl_absorpt_empirical_full_min 0.581
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.361(10)
2 0.639(10)

####################################################################### 
# 
# 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. 
# 
#######################################################################

data_p21c_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2142719'
loop_
_audit_author_name
_audit_author_address
dang
;luoyang normal university
China
;
_audit_update_record             
;
2022-01-17 deposited with the CCDC.	2022-04-05 downloaded from the CCDC.
;
_audit_creation_date             2022-01-15
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'3(C108 H92 N8 O12 Rh4), C24 H42 O4 Rh2, 18[CF3SO3]'
_chemical_formula_sum            'C366 H318 F54 N24 O94 Rh14 S18'
_chemical_formula_weight         9600.25
_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 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -0.0161 2.8414 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2925 0.4295 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   20.474(5)
_cell_length_b                   34.090(9)
_cell_length_c                   38.801(10)
_cell_angle_alpha                90
_cell_angle_beta                 105.086(12)
_cell_angle_gamma                90
_cell_volume                     26149(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9171
_cell_measurement_temperature    193.00
_cell_measurement_theta_max      51.81
_cell_measurement_theta_min      2.432
_shelx_estimated_absorpt_T_max   0.562
_shelx_estimated_absorpt_T_min   0.521
_exptl_absorpt_coefficient_mu    3.256
_exptl_absorpt_correction_T_max  0.7506
_exptl_absorpt_correction_T_min  0.5048
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1297 before and 0.0975 after correction.
The Ratio of minimum to maximum transmission is 0.6725.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic dark black'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.219
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             9676
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0699
_diffrn_reflns_av_unetI/netI     0.0776
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_number            137431
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.409
_diffrn_reflns_theta_min         2.248
_diffrn_ambient_temperature      193.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_source_current           2.86
_diffrn_source_power             0.19931339999999997
_diffrn_source_voltage           69.69
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                21753
_reflns_number_total             47779
_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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.383
_refine_diff_density_min         -1.370
_refine_diff_density_rms         0.083
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.146
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1793
_refine_ls_number_reflns         47779
_refine_ls_number_restraints     5532
_refine_ls_R_factor_all          0.1552
_refine_ls_R_factor_gt           0.1024
_refine_ls_restrained_S_all      1.188
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0100P)²+70.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2124
_refine_ls_wR_factor_ref         0.2336
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C164-C166 = C164-C162 = C162-C168
 1.39 with sigma of 0.02
 C167-C120
 2.65 with sigma of 0.02
 C17-C77
 2.65 with sigma of 0.02
 C159-C118 = C163-C116 = C21-C124 = C167-C122 = C141-C120
 1.53 with sigma of 0.02
 C167-C124
 2.65 with sigma of 0.02
 C162-C98
 2.39 with sigma of 0.02
 C123-C117 = C137-C113 = C39-C57 = C63-C115 = C61-C29 = C171-C77 = C17-C153 =
 C65-C19 = C35-C151 = C85-C75
 1.53 with sigma of 0.02
 C164-C100
 2.39 with sigma of 0.02
 C17-C19
 2.65 with sigma of 0.02
 C168-C164
 2.39 with sigma of 0.02
 C162-C166
 2.39 with sigma of 0.02
 C157-C101
 2.65 with sigma of 0.02
 C69-C51
 2.65 with sigma of 0.02
 C169-C13
 2.65 with sigma of 0.02
 C71-C67
 2.65 with sigma of 0.02
 C139-C25
 2.65 with sigma of 0.02
 C2-C67 = C71-C133 = C143-C33 = C81-C131 = C5-C135 = C161-C51 = C69-C101 =
 C157-C25 = C139-C13 = C169-C103
 1.53 with sigma of 0.02
 C161-C103
 2.65 with sigma of 0.02
 C143-C133
 2.65 with sigma of 0.02
 C71-C33
 2.65 with sigma of 0.02
 C143-C131
 2.65 with sigma of 0.02
 C161-C101
 2.65 with sigma of 0.02
 C81-C33
 2.65 with sigma of 0.02
 C69-C25
 2.65 with sigma of 0.02
 C81-C135
 2.65 with sigma of 0.02
 C157-C13
 2.65 with sigma of 0.02
 C5-C131
 2.65 with sigma of 0.02
 C139-C103
 2.65 with sigma of 0.02
 C5-C67
 2.65 with sigma of 0.02
 C169-C51
 2.65 with sigma of 0.02
 C2-C135
 2.65 with sigma of 0.02
 C2-C133
 2.65 with sigma of 0.02
 C171-C75
 2.65 with sigma of 0.02
 C35-C19
 2.65 with sigma of 0.02
 C137-C117
 2.65 with sigma of 0.02
 C65-C153
 2.65 with sigma of 0.02
 C39-C113
 2.65 with sigma of 0.02
 C85-C151
 2.65 with sigma of 0.02
 C39-C115
 2.65 with sigma of 0.02
 C137-C57
 2.65 with sigma of 0.02
 C63-C57
 2.65 with sigma of 0.02
 C171-C153
 2.65 with sigma of 0.02
 C63-C29
 2.65 with sigma of 0.02
 C61-C115
 2.65 with sigma of 0.02
 C65-C151
 2.65 with sigma of 0.02
 C61-C117
 2.65 with sigma of 0.02
 C35-C75
 2.65 with sigma of 0.02
 C123-C29
 2.65 with sigma of 0.02
 C85-C77
 2.65 with sigma of 0.02
 C123-C113
 2.65 with sigma of 0.02
 C117-C137
 2.65 with sigma of 0.02
 C83-C73
 2.65 with sigma of 0.02
 C165-C73
 2.65 with sigma of 0.02
 C141-C118
 2.65 with sigma of 0.02
 C79-C147
 2.65 with sigma of 0.02
 C41-C147
 2.65 with sigma of 0.02
 C159-C116
 2.65 with sigma of 0.02
 C165-C149
 2.65 with sigma of 0.02
 C163-C124
 2.65 with sigma of 0.02
 C41-C145
 2.65 with sigma of 0.02
 C122-C21
 2.65 with sigma of 0.02
 C83-C37
 2.65 with sigma of 0.02
 C83-C147 = C41-C73 = C79-C37 = C155-C149
 1.53 with sigma of 0.02
 C165-C145
 1.53 with sigma of 0.02
 C163-C118
 2.65 with sigma of 0.02
 C21-C116
 2.65 with sigma of 0.02
 C79-C149
 2.65 with sigma of 0.02
 C141-C122
 2.65 with sigma of 0.02
 C155-C37
 2.65 with sigma of 0.02
 C159-C120
 2.65 with sigma of 0.02
 C155-C145
 2.65 with sigma of 0.02
 C127-C55
 2.65 with sigma of 0.02
 C125-C27
 2.65 with sigma of 0.02
 C31-C109
 2.65 with sigma of 0.02
 C129-C53
 2.65 with sigma of 0.02
 C31-C107
 2.65 with sigma of 0.02
 C9-C107
 2.65 with sigma of 0.02
 C127-C27
 2.65 with sigma of 0.02
 C125-C53
 2.65 with sigma of 0.02
 C129-C109
 2.65 with sigma of 0.02
 C129-C55 = C127-C109 = C27-C31 = C125-C107 = C9-C53
 1.53 with sigma of 0.02
 C9-C55
 2.65 with sigma of 0.02
 O9-C43 = O19-C173
 1.43 with sigma of 0.02
 C173_$1-Rh3
 3.3 with sigma of 0.02
 C173_$1-Rh3_$1
 3.2 with sigma of 0.02
 H12J-H17G_$1
 2 with sigma of 0.02
3. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
All non-hydrogen atoms restrained to be isotropic: with sigma of 0.01 and sigma
for terminal atoms of 0.02
5. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6.a Me refined with riding coordinates:
 C17(H17A,H17B,H17C), C167(H16G,H16H,H16I), C173(H17G,H17H,H17I)
6.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C4(H4), C8(H8), C10(H10), C16(H16), C18(H18), C22(H22), C24(H24),
 C30(H30), C32(H32), C34(H34), C38(H38), C40(H40), C42(H42), C44(H44), C48(H48),
  C50(H50), C70(H70), C72(H72), C76(H76), C78(H78), C82(H82), C92(H92),
 C94(H94), C104(H104), C114(H114), C132(H132), C136(H136), C138(H138),
 C146(H146), C148(H148), C152(H152), C154(H154), C160(H160), C162(H162),
 C164(H164), C87(H87), C45(H45), C23(H23), C3(H3), C97(H97), C49(H49), C99(H99),
  C111(H111), C7(H7), C59(H59), C119(H119), C15(H15)
6.c Fitted pentagon refined as free rotating group:
 C116(C118,C120,C122,C124), C25(C101,C51,C103,C13), C53(C107,C27,C109,C55),
 C113(C57,C115,C29,C117), C131(C33,C133,C67,C135), C145(C73,C147,C37,C149),
 C75(C151,C19,C153,C77)
6.d Fitted hexagon refined as free rotating group:
 N4(C1,C4,C6,C8,C10), N12(C16,C18,C20,C22,C24), N2(C32,C34,C36,C38,C40),
 N9(C42,C44,C46,C48,C50), C68(C70,C72,C74,C76,C78), C82(C84,C86,C88,C90,C92),
 C94(C96,C98,C100,C102,C104), C144(C146,C148,C150,C152,C154)
6.e Idealised Me refined as rotating group:
 C61(H61A,H61B,H61C), C123(H12A,H12B,H12C), C31(H31A,H31B,H31C), C125(H12D,
 H12E,H12F), C63(H63A,H63B,H63C), C127(H12G,H12H,H12I), C2(H2A,H2B,H2C),
 C129(H12J,H12K,H12L), C65(H65A,H65B,H65C), C137(H13A,H13B,H13C), C69(H69A,H69B,
 H69C), C139(H13D,H13E,H13F), C35(H35A,H35B,H35C), C141(H14A,H14B,H14C),
 C71(H71A,H71B,H71C), C143(H14D,H14E,H14F), C9(H9A,H9B,H9C), C155(H15A,H15B,
 H15C), C39(H39A,H39B,H39C), C157(H15G,H15H,H15I), C79(H79A,H79B,H79C),
 C159(H15D,H15E,H15F), C5(H5A,H5B,H5C), C161(H16J,H16K,H16L), C81(H81A,H81B,
 H81C), C163(H16A,H16B,H16C), C41(H41A,H41B,H41C), C165(H16D,H16E,H16F),
 C83(H83A,H83B,H83C), C21(H21A,H21B,H21C), C169(H16M,H16N,H16O), C85(H85A,H85B,
 H85C), C171(H17D,H17E,H17F), C43(H43A,H43B,H43C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 1.10813(3) -0.28401(2) -0.07461(2) 0.0895(2) Uani 1 1 d . U . . .
Rh4 Rh 1.84409(4) -0.10349(2) -0.19489(2) 0.1133(3) Uani 1 1 d . U . . .
Rh6 Rh 1.31838(4) -0.03567(2) -0.31060(2) 0.1142(3) Uani 1 1 d . U . . .
Rh7 Rh 1.03265(4) 0.18855(2) -0.16903(2) 0.1170(3) Uani 1 1 d . U . . .
Rh2 Rh 1.54482(6) 0.21131(3) -0.21344(2) 0.1583(4) Uani 1 1 d . U . . .
Rh5 Rh 1.59988(5) -0.33201(3) -0.03356(3) 0.1475(4) Uani 1 1 d . U . . .
Rh3 Rh 1.53146(6) -0.02924(3) -0.02029(4) 0.1929(6) Uani 1 1 d D U . . .
O1 O 1.1297(3) -0.25203(15) -0.02620(13) 0.0924(14) Uani 1 1 d . U . . .
O4 O 1.2112(3) -0.29520(16) -0.05335(14) 0.0993(14) Uani 1 1 d . U . . .
O6 O 1.6314(3) -0.16345(19) -0.21267(17) 0.123(2) Uani 1 1 d . U . . .
O8 O 1.1176(3) 0.17233(19) -0.18716(16) 0.1155(16) Uani 1 1 d . U . . .
O10 O 1.7467(3) -0.12684(17) -0.20620(15) 0.1099(15) Uani 1 1 d . U . . .
O12 O 1.3563(3) 0.09327(17) -0.26970(17) 0.1101(18) Uani 1 1 d . U . . .
O14 O 1.0232(3) 0.1291(2) -0.17161(17) 0.1263(17) Uani 1 1 d . U . . .
N1 N 1.2344(3) -0.27826(19) -0.02020(17) 0.0909(15) Uani 1 1 d . U . . .
O16 O 1.8463(3) -0.13770(17) -0.14908(15) 0.1068(15) Uani 1 1 d . U . . .
O18 O 1.3354(3) -0.3079(2) -0.01457(18) 0.129(2) Uani 1 1 d . U . . .
O20 O 1.3480(3) 0.02044(17) -0.29077(17) 0.1155(16) Uani 1 1 d . U . . .
O5 O 1.2563(3) -0.02572(18) -0.27422(17) 0.1186(17) Uani 1 1 d . U . . .
N4 N 1.1381(3) -0.23199(14) -0.09524(14) 0.1022(17) Uani 1 1 d G U . . .
C1 C 1.1109(3) -0.19649(17) -0.08811(15) 0.109(2) Uani 1 1 d G U . . .
H1 H 1.079450 -0.195943 -0.073927 0.131 Uiso 1 1 calc R U . . .
C4 C 1.1297(3) -0.16180(13) -0.10174(17) 0.120(2) Uani 1 1 d G U . . .
H4 H 1.111074 -0.137540 -0.096868 0.144 Uiso 1 1 calc R U . . .
C6 C 1.1757(3) -0.16260(15) -0.12249(17) 0.126(2) Uani 1 1 d G U . . .
C8 C 1.2029(3) -0.1981(2) -0.12962(17) 0.129(2) Uani 1 1 d G U . . .
H8 H 1.234404 -0.198651 -0.143805 0.155 Uiso 1 1 calc R U . . .
C10 C 1.1842(3) -0.23279(15) -0.11599(16) 0.120(2) Uani 1 1 d G U . . .
H10 H 1.202780 -0.257055 -0.120866 0.143 Uiso 1 1 calc R U . . .
N6 N 1.7390(4) -0.1513(2) -0.1794(2) 0.0994(16) Uani 1 1 d . U . . .
O11 O 1.5942(4) -0.2948(2) -0.07787(18) 0.1296(18) Uani 1 1 d . U . . .
O3 O 1.4427(3) -0.23264(19) 0.16090(17) 0.129(2) Uani 1 1 d . U . . .
O13 O 1.8036(4) -0.2625(2) -0.0138(2) 0.140(2) Uani 1 1 d . U . . .
C12 C 1.2999(5) -0.2869(3) -0.0008(2) 0.0978(19) Uani 1 1 d . U . . .
C14 C 1.6762(5) -0.1700(3) -0.1857(2) 0.1002(19) Uani 1 1 d . U . . .
N8 N 1.0730(4) 0.1126(2) -0.1861(2) 0.1131(17) Uani 1 1 d . U . . .
N10 N 1.3043(4) 0.0350(2) -0.2728(2) 0.1068(17) Uani 1 1 d . U . . .
N12 N 1.8024(3) -0.05885(14) -0.16954(16) 0.1157(19) Uani 1 1 d G U . . .
C16 C 1.7453(3) -0.03844(18) -0.18807(12) 0.116(2) Uani 1 1 d G U . . .
H16 H 1.723352 -0.045440 -0.211985 0.139 Uiso 1 1 calc R U . . .
C18 C 1.7202(3) -0.00780(17) -0.17162(17) 0.116(2) Uani 1 1 d G U . . .
H18 H 1.681186 0.006143 -0.184287 0.139 Uiso 1 1 calc R U . . .
C20 C 1.7523(3) 0.00243(15) -0.13664(17) 0.120(2) Uani 1 1 d G U . . .
C22 C 1.8095(3) -0.01797(19) -0.11810(13) 0.122(2) Uani 1 1 d G U . . .
H22 H 1.831440 -0.010974 -0.094193 0.147 Uiso 1 1 calc R U . . .
C24 C 1.8345(3) -0.04861(17) -0.13456(16) 0.120(2) Uani 1 1 d G U . . .
H24 H 1.873608 -0.062557 -0.121890 0.144 Uiso 1 1 calc R U . . .
N3 N 1.3434(5) -0.1994(2) 0.1504(2) 0.1140(18) Uani 1 1 d . U . . .
C26 C 1.2630(5) 0.0908(3) -0.2450(2) 0.0977(18) Uani 1 1 d . U . . .
C28 C 1.2150(5) 0.0651(3) -0.2362(2) 0.1005(18) Uani 1 1 d . U . . .
C30 C 1.2645(4) 0.1295(3) -0.2363(2) 0.098(2) Uani 1 1 d . U . . .
H30 H 1.297455 0.146224 -0.241850 0.117 Uiso 1 1 calc R U . . .
N7 N 1.6993(5) -0.2771(2) -0.0457(2) 0.1186(19) Uani 1 1 d . U . . .
O7 O 1.2462(4) -0.1630(2) 0.14269(18) 0.142(2) Uani 1 1 d . U . . .
N2 N 1.9052(3) -0.17926(18) 0.11762(12) 0.119(2) Uani 1 1 d G U . . .
C32 C 1.9285(3) -0.15544(18) 0.09427(17) 0.126(2) Uani 1 1 d G U . . .
H32 H 1.971282 -0.142931 0.102014 0.151 Uiso 1 1 calc R U . . .
C34 C 1.8891(4) -0.14992(18) 0.05957(15) 0.129(3) Uani 1 1 d G U . . .
H34 H 1.905038 -0.133638 0.043609 0.154 Uiso 1 1 calc R U . . .
C36 C 1.8265(3) -0.1682(2) 0.04824(13) 0.124(2) Uani 1 1 d G U . . .
C38 C 1.8033(3) -0.19204(19) 0.07160(18) 0.134(3) Uani 1 1 d G U . . .
H38 H 1.760497 -0.204543 0.063848 0.160 Uiso 1 1 calc R U . . .
C40 C 1.8426(3) -0.19756(17) 0.10629(16) 0.128(3) Uani 1 1 d G U . . .
H40 H 1.826741 -0.213837 0.122253 0.153 Uiso 1 1 calc R U . . .
N9 N 1.5008(3) 0.16174(17) -0.19696(15) 0.122(2) Uani 1 1 d G U . . .
C42 C 1.4499(3) 0.16577(15) -0.17947(15) 0.126(2) Uani 1 1 d G U . . .
H42 H 1.438195 0.191054 -0.172712 0.151 Uiso 1 1 calc R U . . .
C44 C 1.4163(3) 0.1328(2) -0.17186(15) 0.126(2) Uani 1 1 d G U . . .
H44 H 1.381492 0.135550 -0.159900 0.152 Uiso 1 1 calc R U . . .
C46 C 1.4334(3) 0.09579(17) -0.18174(17) 0.130(2) Uani 1 1 d G U . . .
C48 C 1.4843(4) 0.09176(15) -0.19924(17) 0.132(2) Uani 1 1 d G U . . .
H48 H 1.496036 0.066476 -0.205993 0.158 Uiso 1 1 calc R U . . .
C50 C 1.5180(3) 0.1247(2) -0.20685(15) 0.130(2) Uani 1 1 d G U . . .
H50 H 1.552740 0.121979 -0.218806 0.156 Uiso 1 1 calc R U . . .
C52 C 1.1913(4) -0.2560(2) -0.0081(2) 0.0863(17) Uani 1 1 d . U . . .
C54 C 1.6494(6) -0.2758(3) -0.0736(3) 0.118(2) Uani 1 1 d . U . . .
O15 O 1.6922(4) -0.3035(2) -0.01918(19) 0.1383(19) Uani 1 1 d . U . . .
N5 N 1.3920(5) -0.0543(3) -0.2657(2) 0.126(2) Uani 1 1 d . U . . .
C56 C 1.7487(6) -0.1521(3) -0.0158(3) 0.124(3) Uani 1 1 d . U . . .
C58 C 1.1202(5) 0.1373(3) -0.1936(2) 0.1052(19) Uani 1 1 d . U . . .
C60 C 1.1675(5) 0.0805(3) -0.2188(2) 0.1005(18) Uani 1 1 d . U . . .
C62 C 1.3117(5) 0.0748(3) -0.2625(2) 0.1006(19) Uani 1 1 d . U . . .
O2 O 1.3640(4) -0.1872(2) 0.18581(17) 0.138(2) Uani 1 1 d . U . . .
C64 C 1.2107(5) 0.0245(3) -0.2465(2) 0.1079(19) Uani 1 1 d . U . . .
C66 C 1.7924(5) -0.1559(3) -0.1507(2) 0.0968(18) Uani 1 1 d . U . . .
C68 C 1.6256(3) -0.11632(17) -0.11518(12) 0.106(2) Uani 1 1 d G U . . .
C70 C 1.6899(3) -0.10046(15) -0.10233(16) 0.111(2) Uani 1 1 d G U . . .
H70 H 1.705740 -0.081130 -0.115822 0.134 Uiso 1 1 calc R U . . .
C72 C 1.7309(3) -0.11289(18) -0.06974(17) 0.114(2) Uani 1 1 d G U . . .
H72 H 1.774876 -0.102051 -0.060958 0.137 Uiso 1 1 calc R U . . .
C74 C 1.7077(3) -0.14117(18) -0.05000(12) 0.112(2) Uani 1 1 d G U . . .
C76 C 1.6434(3) -0.15703(15) -0.06285(16) 0.109(2) Uani 1 1 d G U . . .
H76 H 1.627529 -0.176357 -0.049361 0.130 Uiso 1 1 calc R U . . .
C78 C 1.6023(2) -0.14460(17) -0.09544(16) 0.105(2) Uani 1 1 d G U . . .
H78 H 1.558392 -0.155436 -0.104226 0.126 Uiso 1 1 calc R U . . .
C80 C 1.7832(5) -0.1829(2) -0.1238(2) 0.0949(17) Uani 1 1 d . U . . .
C82 C 1.6012(3) -0.24231(16) -0.13425(17) 0.107(2) Uani 1 1 d G U . . .
H82 H 1.559595 -0.255735 -0.136610 0.128 Uiso 1 1 calc R U . . .
C84 C 1.6544(3) -0.24800(15) -0.10406(14) 0.1030(18) Uani 1 1 d G U . . .
C86 C 1.7152(3) -0.22835(17) -0.10061(13) 0.0972(17) Uani 1 1 d G U . . .
C88 C 1.7229(2) -0.20301(15) -0.12735(16) 0.0930(17) Uani 1 1 d G U . . .
C90 C 1.6697(3) -0.19732(15) -0.15754(14) 0.1015(18) Uani 1 1 d G U . . .
C92 C 1.6088(3) -0.21697(18) -0.16099(13) 0.109(2) Uani 1 1 d G U . . .
H92 H 1.572489 -0.213074 -0.181627 0.131 Uiso 1 1 calc R U . . .
C94 C 1.1729(2) -0.21181(16) 0.03943(14) 0.098(2) Uani 1 1 d G U . . .
H94 H 1.128986 -0.205966 0.024902 0.118 Uiso 1 1 calc R U . . .
C96 C 1.2149(3) -0.23707(15) 0.02697(11) 0.0887(17) Uani 1 1 d G U . . .
C98 C 1.2792(3) -0.24563(15) 0.04822(15) 0.0944(18) Uani 1 1 d DG U . . .
C100 C 1.3015(2) -0.22893(17) 0.08193(14) 0.0982(18) Uani 1 1 d DG U . . .
C102 C 1.2594(3) -0.20367(16) 0.09438(11) 0.1014(19) Uani 1 1 d G U . . .
C104 C 1.1952(3) -0.19511(15) 0.07313(15) 0.103(2) Uani 1 1 d G U . . .
H104 H 1.166437 -0.177853 0.081649 0.124 Uiso 1 1 calc R U . . .
N11 N 1.4391(5) 0.2826(2) 0.0126(3) 0.127(2) Uani 1 1 d . U . . .
C106 C 1.1693(5) 0.1199(3) -0.2104(2) 0.1014(18) Uani 1 1 d . U . . .
C108 C 1.1190(5) 0.0558(3) -0.2104(2) 0.1077(19) Uani 1 1 d . U . . .
C110 C 1.2572(5) 0.0096(3) -0.2642(2) 0.1092(19) Uani 1 1 d . U . . .
O17 O 1.0266(4) 0.0529(2) -0.1856(2) 0.152(3) Uani 1 1 d . U . . .
C112 C 1.7696(5) -0.2325(3) -0.0679(3) 0.1033(18) Uani 1 1 d . U . . .
C114 C 1.2180(5) 0.1449(3) -0.2193(2) 0.105(2) Uani 1 1 d . U . . .
H114 H 1.218904 0.172084 -0.213732 0.126 Uiso 1 1 calc R U . . .
C116 C 1.0687(4) -0.34115(19) -0.0754(2) 0.150(2) Uani 1 1 d DG U . . .
C118 C 1.0757(4) -0.3318(2) -0.1099(2) 0.145(2) Uani 1 1 d DG U . . .
C120 C 1.0335(4) -0.2991(2) -0.12283(16) 0.137(2) Uani 1 1 d DG U . . .
C122 C 1.0005(3) -0.2882(2) -0.0963(2) 0.140(2) Uani 1 1 d DG U . . .
C124 C 1.0223(4) -0.3142(2) -0.06696(18) 0.149(2) Uani 1 1 d DG U . . .
C126 C 1.7804(6) -0.1618(3) 0.0118(3) 0.126(3) Uani 1 1 d . U . . .
C128 C 1.2796(6) -0.1861(3) 0.1329(3) 0.114(2) Uani 1 1 d . U . . .
C130 C 1.6709(6) 0.0913(3) -0.0932(3) 0.120(2) Uani 1 1 d . U . . .
C132 C 1.8331(5) -0.1871(3) -0.0922(3) 0.104(2) Uani 1 1 d . U . . .
H132 H 1.873430 -0.172230 -0.089332 0.125 Uiso 1 1 calc R U . . .
C134 C 1.3868(6) -0.2239(3) 0.1402(3) 0.113(2) Uani 1 1 d . U . . .
C136 C 1.4361(5) -0.1016(3) -0.2178(3) 0.119(2) Uani 1 1 d . U . . .
H136 H 1.429773 -0.124857 -0.205542 0.143 Uiso 1 1 calc R U . . .
C138 C 1.1610(5) 0.0023(3) -0.2368(3) 0.115(2) Uani 1 1 d . U . . .
H138 H 1.158307 -0.024997 -0.242119 0.138 Uiso 1 1 calc R U . . .
C140 C 1.0710(6) 0.0719(3) -0.1936(3) 0.118(2) Uani 1 1 d . U . . .
C142 C 1.6034(6) 0.1463(3) -0.0625(3) 0.124(2) Uani 1 1 d . U . . .
C144 C 1.3262(4) 0.00205(18) -0.16457(19) 0.129(2) Uani 1 1 d G U . . .
C146 C 1.2762(4) 0.00619(16) -0.14656(19) 0.144(3) Uani 1 1 d G U . . .
H146 H 1.266460 0.031334 -0.138570 0.173 Uiso 1 1 calc R U . . .
C148 C 1.2403(3) -0.0265(2) -0.14025(19) 0.141(3) Uani 1 1 d G U . . .
H148 H 1.206076 -0.023636 -0.127942 0.169 Uiso 1 1 calc R U . . .
C150 C 1.2545(4) -0.06325(18) -0.1519(2) 0.136(2) Uani 1 1 d G U . . .
C152 C 1.3046(4) -0.06739(16) -0.16995(19) 0.135(3) Uani 1 1 d G U . . .
H152 H 1.314292 -0.092532 -0.177943 0.162 Uiso 1 1 calc R U . . .
C154 C 1.3405(3) -0.0347(2) -0.17626(18) 0.135(3) Uani 1 1 d G U . . .
H154 H 1.374676 -0.037562 -0.188572 0.162 Uiso 1 1 calc R U . . .
C156 C 1.5651(6) 0.1740(3) -0.0467(3) 0.123(2) Uani 1 1 d . U . . .
C158 C 1.4942(6) -0.0813(3) -0.2071(3) 0.120(2) Uani 1 1 d . U . . .
C160 C 1.1162(5) 0.0179(3) -0.2202(3) 0.116(2) Uani 1 1 d . U . . .
H160 H 1.082046 0.001609 -0.215336 0.139 Uiso 1 1 calc R U . . .
C162 C 1.3855(4) -0.2799(3) 0.0569(2) 0.115(2) Uani 1 1 d D U . . .
H162 H 1.414829 -0.296977 0.048559 0.138 Uiso 1 1 calc R U . . .
C164 C 1.4055(4) -0.2639(3) 0.0916(2) 0.118(2) Uani 1 1 d D U . . .
H164 H 1.448682 -0.270241 0.106757 0.141 Uiso 1 1 calc R U . . .
C166 C 1.3638(5) -0.2397(3) 0.1035(2) 0.1046(19) Uani 1 1 d D U . . .
C168 C 1.3214(4) -0.2702(3) 0.0348(2) 0.1021(19) Uani 1 1 d D U . . .
C170 C 1.5038(6) 0.2258(3) -0.0171(3) 0.129(2) Uani 1 1 d . U . . .
C172 C 1.3625(6) 0.0337(3) -0.1713(3) 0.137(3) Uani 1 1 d . U . . .
C174 C 1.5436(6) -0.0944(3) -0.1768(3) 0.125(3) Uani 1 1 d . U . . .
C87 C 1.6140(6) 0.1086(3) -0.1119(3) 0.131(3) Uani 1 1 d . U . . .
H87 H 1.597985 0.103200 -0.136650 0.157 Uiso 1 1 calc R U . . .
C11 C 1.7580(6) -0.2590(3) -0.0416(3) 0.117(2) Uani 1 1 d . U . . .
C89 C 1.7281(5) 0.0347(3) -0.1209(3) 0.121(2) Uani 1 1 d . U . . .
C45 C 1.4137(6) 0.2716(3) -0.0209(3) 0.136(3) Uani 1 1 d . U . . .
H45 H 1.372400 0.282903 -0.034204 0.164 Uiso 1 1 calc R U . . .
C91 C 1.3975(6) 0.0625(3) -0.1752(3) 0.142(3) Uani 1 1 d . U . . .
C23 C 1.8280(5) -0.2115(3) -0.0643(3) 0.105(2) Uani 1 1 d . U . . .
H23 H 1.864026 -0.213455 -0.043209 0.126 Uiso 1 1 calc R U . . .
C93 C 1.5813(5) -0.1029(3) -0.1489(3) 0.120(2) Uani 1 1 d . U . . .
C47 C 1.7059(5) 0.0611(3) -0.1070(3) 0.119(2) Uani 1 1 d . U . . .
C95 C 1.5336(6) 0.1954(3) -0.0352(3) 0.127(3) Uani 1 1 d . U . . .
C3 C 1.5779(6) 0.1340(3) -0.0965(3) 0.134(3) Uani 1 1 d . U . . .
H3 H 1.534780 0.142957 -0.109735 0.161 Uiso 1 1 calc R U . . .
C97 C 1.5272(6) 0.2377(3) 0.0157(3) 0.141(3) Uani 1 1 d . U . . .
H97 H 1.566909 0.225539 0.029855 0.170 Uiso 1 1 calc R U . . .
C49 C 1.3816(6) -0.0877(3) -0.2487(3) 0.127(3) Uani 1 1 d . U . . .
H49 H 1.340467 -0.101826 -0.256503 0.153 Uiso 1 1 calc R U . . .
C99 C 1.7010(6) 0.1039(3) -0.0569(3) 0.138(3) Uani 1 1 d . U . . .
H99 H 1.742599 0.093425 -0.043020 0.165 Uiso 1 1 calc R U . . .
C25 C 1.3247(4) -0.0839(2) -0.3444(2) 0.154(3) Uani 1 1 d DG U . . .
C101 C 1.3497(4) -0.0487(3) -0.3558(2) 0.160(3) Uani 1 1 d DG U . . .
C51 C 1.2955(5) -0.0215(2) -0.3650(2) 0.161(3) Uani 1 1 d DG U . . .
C103 C 1.2370(4) -0.0399(2) -0.3593(2) 0.166(3) Uani 1 1 d DG U . . .
C13 C 1.2550(4) -0.0784(2) -0.3466(2) 0.161(3) Uani 1 1 d DG U . . .
C105 C 1.2232(6) -0.0985(3) -0.1438(3) 0.136(3) Uani 1 1 d . U . . .
C53 C 1.5090(4) -0.0657(3) -0.0678(3) 0.192(3) Uani 1 1 d DG U . . .
C107 C 1.5416(5) -0.0852(2) -0.0355(3) 0.187(3) Uani 1 1 d DG U . . .
C27 C 1.6060(5) -0.0675(3) -0.0219(2) 0.193(3) Uani 1 1 d DG U . . .
C109 C 1.6132(4) -0.0372(3) -0.0457(3) 0.189(3) Uani 1 1 d DG U . . .
C55 C 1.5532(5) -0.0360(3) -0.0740(2) 0.200(3) Uani 1 1 d DG U . . .
C111 C 1.4460(6) 0.2437(3) -0.0374(3) 0.139(3) Uani 1 1 d . U . . .
H111 H 1.428428 0.237232 -0.061903 0.167 Uiso 1 1 calc R U . . .
C7 C 1.6648(6) 0.1327(3) -0.0433(3) 0.138(3) Uani 1 1 d . U . . .
H7 H 1.683771 0.142893 -0.020059 0.166 Uiso 1 1 calc R U . . .
C113 C 1.9472(4) -0.0964(2) -0.19406(18) 0.152(2) Uani 1 1 d DG U . . .
C57 C 1.9235(4) -0.1329(2) -0.2101(2) 0.151(2) Uani 1 1 d DG U . . .
C115 C 1.8699(4) -0.1253(2) -0.2409(2) 0.146(2) Uani 1 1 d DG U . . .
C29 C 1.8605(4) -0.0841(2) -0.24388(19) 0.146(2) Uani 1 1 d DG U . . .
C117 C 1.9083(4) -0.06619(18) -0.2150(2) 0.148(2) Uani 1 1 d DG U . . .
C59 C 1.5040(6) -0.0491(3) -0.2250(3) 0.135(3) Uani 1 1 d . U . . .
H59 H 1.545455 -0.035122 -0.217901 0.162 Uiso 1 1 calc R U . . .
C119 C 1.4537(6) -0.0366(3) -0.2535(3) 0.135(3) Uani 1 1 d . U . . .
H119 H 1.462291 -0.013874 -0.265837 0.162 Uiso 1 1 calc R U . . .
C15 C 1.4969(6) 0.2675(3) 0.0315(3) 0.140(3) Uani 1 1 d . U . . .
H15 H 1.517470 0.276493 0.055014 0.168 Uiso 1 1 calc R U . . .
C121 C 1.1971(6) -0.1268(3) -0.1365(3) 0.134(3) Uani 1 1 d . U . . .
C61 C 1.8077(6) -0.0645(4) -0.2761(3) 0.189(4) Uani 1 1 d D U . . .
H61A H 1.764918 -0.078971 -0.280814 0.283 Uiso 1 1 calc R U . . .
H61B H 1.825154 -0.065225 -0.297309 0.283 Uiso 1 1 calc R U . . .
H61C H 1.800230 -0.037252 -0.270141 0.283 Uiso 1 1 calc R U . . .
C123 C 1.9187(7) -0.0228(3) -0.2080(4) 0.202(5) Uani 1 1 d D U . . .
H12A H 1.874799 -0.009969 -0.210991 0.303 Uiso 1 1 calc R U . . .
H12B H 1.941859 -0.011604 -0.224841 0.303 Uiso 1 1 calc R U . . .
H12C H 1.946400 -0.018718 -0.183515 0.303 Uiso 1 1 calc R U . . .
C31 C 1.6619(7) -0.0728(4) 0.0123(3) 0.240(5) Uani 1 1 d D U . . .
H31A H 1.655082 -0.054313 0.030369 0.360 Uiso 1 1 calc R U . . .
H31B H 1.705860 -0.067775 0.007477 0.360 Uiso 1 1 calc R U . . .
H31C H 1.660881 -0.099694 0.021036 0.360 Uiso 1 1 calc R U . . .
C125 C 1.5036(7) -0.1185(4) -0.0239(4) 0.234(5) Uani 1 1 d D U . . .
H12D H 1.528952 -0.127751 -0.000229 0.351 Uiso 1 1 calc R U . . .
H12E H 1.498485 -0.140116 -0.041049 0.351 Uiso 1 1 calc R U . . .
H12F H 1.458872 -0.109379 -0.022729 0.351 Uiso 1 1 calc R U . . .
C63 C 1.8272(7) -0.1548(4) -0.2660(3) 0.199(5) Uani 1 1 d D U . . .
H63A H 1.834301 -0.180918 -0.255152 0.299 Uiso 1 1 calc R U . . .
H63B H 1.840281 -0.154912 -0.288533 0.299 Uiso 1 1 calc R U . . .
H63C H 1.779414 -0.147569 -0.270476 0.299 Uiso 1 1 calc R U . . .
C127 C 1.6713(6) -0.0112(4) -0.0462(4) 0.217(5) Uani 1 1 d D U . . .
H12G H 1.656422 0.016191 -0.047841 0.326 Uiso 1 1 calc R U . . .
H12H H 1.688395 -0.017768 -0.066807 0.326 Uiso 1 1 calc R U . . .
H12I H 1.707245 -0.015029 -0.024180 0.326 Uiso 1 1 calc R U . . .
C2 C 0.9080(6) 0.2061(4) -0.1318(3) 0.205(5) Uani 1 1 d D U . . .
H2A H 0.924781 0.222803 -0.110781 0.307 Uiso 1 1 calc R U . . .
H2B H 0.916104 0.178510 -0.124902 0.307 Uiso 1 1 calc R U . . .
H2C H 0.859353 0.210453 -0.141497 0.307 Uiso 1 1 calc R U . . .
C129 C 1.5425(9) -0.0088(5) -0.1063(4) 0.259(6) Uani 1 1 d D U . . .
H12J H 1.574211 0.013256 -0.100611 0.388 Uiso 1 1 calc DR U . . .
H12K H 1.495987 0.001234 -0.112464 0.388 Uiso 1 1 calc R U . . .
H12L H 1.550293 -0.023340 -0.126672 0.388 Uiso 1 1 calc R U . . .
C65 C 1.4809(6) -0.3645(4) 0.0013(4) 0.203(5) Uani 1 1 d D U . . .
H65A H 1.502972 -0.354110 0.025062 0.304 Uiso 1 1 calc R U . . .
H65B H 1.455326 -0.388164 0.003799 0.304 Uiso 1 1 calc R U . . .
H65C H 1.449998 -0.344704 -0.012286 0.304 Uiso 1 1 calc R U . . .
C131 C 0.9718(5) 0.2182(3) -0.21418(19) 0.177(3) Uani 1 1 d DG U . . .
C33 C 1.0118(4) 0.2468(2) -0.1916(2) 0.168(3) Uani 1 1 d DG U . . .
C133 C 0.9953(4) 0.2457(2) -0.1582(2) 0.163(3) Uani 1 1 d DG U . . .
C67 C 0.9452(4) 0.2163(3) -0.1602(2) 0.164(3) Uani 1 1 d DG U . . .
C135 C 0.9307(4) 0.1994(2) -0.1948(2) 0.176(3) Uani 1 1 d DG U . . .
C17 C 1.6360(7) -0.3817(4) 0.0384(3) 0.209(5) Uani 1 1 d D U . . .
H17A H 1.684819 -0.386199 0.043195 0.314 Uiso 1 1 calc R U . . .
H17B H 1.627879 -0.356556 0.048837 0.314 Uiso 1 1 calc R U . . .
H17C H 1.615370 -0.402889 0.048959 0.314 Uiso 1 1 calc R U . . .
C137 C 2.0049(6) -0.0912(4) -0.1598(3) 0.214(5) Uani 1 1 d D U . . .
H13A H 1.994238 -0.069247 -0.145859 0.321 Uiso 1 1 calc R U . . .
H13B H 2.047259 -0.085796 -0.166145 0.321 Uiso 1 1 calc R U . . .
H13C H 2.009707 -0.115281 -0.145534 0.321 Uiso 1 1 calc R U . . .
C69 C 1.4192(6) -0.0435(4) -0.3608(4) 0.218(5) Uani 1 1 d D U . . .
H69A H 1.437827 -0.018411 -0.350432 0.328 Uiso 1 1 calc R U . . .
H69B H 1.416986 -0.043852 -0.386290 0.328 Uiso 1 1 calc R U . . .
H69C H 1.448322 -0.064958 -0.348785 0.328 Uiso 1 1 calc R U . . .
C139 C 1.2149(7) -0.1079(4) -0.3295(4) 0.218(5) Uani 1 1 d D U . . .
H13D H 1.221233 -0.101379 -0.304213 0.327 Uiso 1 1 calc R U . . .
H13E H 1.231322 -0.134561 -0.331546 0.327 Uiso 1 1 calc R U . . .
H13F H 1.166669 -0.106357 -0.341859 0.327 Uiso 1 1 calc R U . . .
C35 C 1.4612(6) -0.3686(4) -0.0856(4) 0.233(5) Uani 1 1 d D U . . .
H35A H 1.439473 -0.344993 -0.079283 0.350 Uiso 1 1 calc R U . . .
H35B H 1.429874 -0.390764 -0.088352 0.350 Uiso 1 1 calc R U . . .
H35C H 1.473403 -0.364118 -0.108089 0.350 Uiso 1 1 calc R U . . .
C141 C 1.0242(7) -0.2801(4) -0.1591(3) 0.214(5) Uani 1 1 d D U . . .
H14A H 1.034867 -0.252093 -0.155999 0.322 Uiso 1 1 calc R U . . .
H14B H 0.977250 -0.283390 -0.173038 0.322 Uiso 1 1 calc R U . . .
H14C H 1.054564 -0.292574 -0.171608 0.322 Uiso 1 1 calc R U . . .
C71 C 1.0234(7) 0.2725(4) -0.1267(3) 0.219(5) Uani 1 1 d D U . . .
H71A H 1.013969 0.299875 -0.134149 0.328 Uiso 1 1 calc R U . . .
H71B H 1.072386 0.268674 -0.118136 0.328 Uiso 1 1 calc R U . . .
H71C H 1.002008 0.266410 -0.107517 0.328 Uiso 1 1 calc R U . . .
C143 C 1.0666(7) 0.2733(4) -0.1993(4) 0.244(6) Uani 1 1 d D U . . .
H14D H 1.101629 0.278210 -0.177145 0.366 Uiso 1 1 calc R U . . .
H14E H 1.046441 0.298333 -0.209177 0.366 Uiso 1 1 calc R U . . .
H14F H 1.086914 0.260459 -0.216605 0.366 Uiso 1 1 calc R U . . .
C9 C 1.4430(7) -0.0736(5) -0.0954(4) 0.240(5) Uani 1 1 d D U . . .
H9A H 1.418003 -0.094265 -0.086732 0.361 Uiso 1 1 calc R U . . .
H9B H 1.452444 -0.082097 -0.117764 0.361 Uiso 1 1 calc R U . . .
H9C H 1.415713 -0.049594 -0.099670 0.361 Uiso 1 1 calc R U . . .
C145 C 1.4740(5) 0.2575(3) -0.2427(2) 0.189(3) Uani 1 1 d DG U . . .
C73 C 1.5425(5) 0.2685(2) -0.2387(2) 0.197(3) Uani 1 1 d DG U . . .
C147 C 1.5737(4) 0.2390(3) -0.2548(2) 0.196(3) Uani 1 1 d DG U . . .
C37 C 1.5245(5) 0.2098(2) -0.2687(2) 0.181(3) Uani 1 1 d DG U . . .
C149 C 1.4629(4) 0.2212(3) -0.2613(2) 0.179(3) Uani 1 1 d DG U . . .
C75 C 1.5890(5) -0.3855(3) -0.0626(2) 0.190(3) Uani 1 1 d DG U . . .
C151 C 1.5253(4) -0.3777(3) -0.0559(2) 0.184(3) Uani 1 1 d DG U . . .
C19 C 1.5350(4) -0.3747(3) -0.0184(3) 0.174(3) Uani 1 1 d DG U . . .
C153 C 1.6047(5) -0.3807(3) -0.0019(2) 0.177(3) Uani 1 1 d DG U . . .
C77 C 1.6381(4) -0.3873(3) -0.0292(3) 0.184(3) Uani 1 1 d DG U . . .
C155 C 1.4007(6) 0.1949(4) -0.2739(4) 0.237(6) Uani 1 1 d D U . . .
H15A H 1.414192 0.167377 -0.269805 0.355 Uiso 1 1 calc R U . . .
H15B H 1.380473 0.199190 -0.299431 0.355 Uiso 1 1 calc R U . . .
H15C H 1.367553 0.201347 -0.260534 0.355 Uiso 1 1 calc R U . . .
C39 C 1.9453(7) -0.1735(3) -0.1958(4) 0.205(5) Uani 1 1 d D U . . .
H39A H 1.943990 -0.175083 -0.170792 0.308 Uiso 1 1 calc R U . . .
H39B H 1.991448 -0.178518 -0.197552 0.308 Uiso 1 1 calc R U . . .
H39C H 1.914534 -0.193027 -0.209870 0.308 Uiso 1 1 calc R U . . .
C157 C 1.3621(7) -0.1222(3) -0.3360(4) 0.207(5) Uani 1 1 d D U . . .
H15G H 1.407639 -0.117280 -0.320741 0.311 Uiso 1 1 calc R U . . .
H15H H 1.365320 -0.134722 -0.358198 0.311 Uiso 1 1 calc R U . . .
H15I H 1.337618 -0.139499 -0.323476 0.311 Uiso 1 1 calc R U . . .
C79 C 1.5315(8) 0.1714(4) -0.2875(4) 0.240(5) Uani 1 1 d D U . . .
H79A H 1.556445 0.152389 -0.269976 0.361 Uiso 1 1 calc R U . . .
H79B H 1.556191 0.176045 -0.305635 0.361 Uiso 1 1 calc R U . . .
H79C H 1.486500 0.160961 -0.298934 0.361 Uiso 1 1 calc R U . . .
C159 C 1.1137(7) -0.3545(4) -0.1318(4) 0.236(6) Uani 1 1 d D U . . .
H15D H 1.137561 -0.336192 -0.143737 0.354 Uiso 1 1 calc R U . . .
H15E H 1.081671 -0.370103 -0.149808 0.354 Uiso 1 1 calc R U . . .
H15F H 1.146416 -0.371979 -0.116213 0.354 Uiso 1 1 calc R U . . .
C5 C 0.8753(7) 0.1690(4) -0.2054(4) 0.256(6) Uani 1 1 d D U . . .
H5A H 0.894895 0.143917 -0.209953 0.384 Uiso 1 1 calc R U . . .
H5B H 0.841916 0.177616 -0.227023 0.384 Uiso 1 1 calc R U . . .
H5C H 0.853185 0.165745 -0.185987 0.384 Uiso 1 1 calc R U . . .
C161 C 1.3014(8) 0.0200(3) -0.3794(4) 0.243(6) Uani 1 1 d D U . . .
H16J H 1.296080 0.039406 -0.361691 0.365 Uiso 1 1 calc R U . . .
H16K H 1.266050 0.023890 -0.401609 0.365 Uiso 1 1 calc R U . . .
H16L H 1.345951 0.023176 -0.384035 0.365 Uiso 1 1 calc R U . . .
C81 C 0.9818(9) 0.2111(5) -0.2521(3) 0.251(6) Uani 1 1 d D U . . .
H81A H 1.003622 0.185575 -0.252674 0.376 Uiso 1 1 calc R U . . .
H81B H 1.010300 0.231844 -0.257837 0.376 Uiso 1 1 calc R U . . .
H81C H 0.937655 0.211237 -0.269682 0.376 Uiso 1 1 calc R U . . .
C163 C 1.1024(8) -0.3750(3) -0.0520(4) 0.257(6) Uani 1 1 d D U . . .
H16A H 1.151209 -0.374514 -0.049727 0.385 Uiso 1 1 calc R U . . .
H16B H 1.083519 -0.399887 -0.062875 0.385 Uiso 1 1 calc R U . . .
H16C H 1.094238 -0.372587 -0.028297 0.385 Uiso 1 1 calc R U . . .
C41 C 1.5795(8) 0.3034(4) -0.2166(4) 0.258(6) Uani 1 1 d D U . . .
H41A H 1.546722 0.324039 -0.215669 0.388 Uiso 1 1 calc R U . . .
H41B H 1.613637 0.313658 -0.227826 0.388 Uiso 1 1 calc R U . . .
H41C H 1.601515 0.294540 -0.192331 0.388 Uiso 1 1 calc R U . . .
C165 C 1.4272(8) 0.2770(4) -0.2232(4) 0.246(5) Uani 1 1 d D U . . .
H16D H 1.430321 0.263362 -0.200602 0.370 Uiso 1 1 calc R U . . .
H16E H 1.380495 0.275831 -0.238050 0.370 Uiso 1 1 calc R U . . .
H16F H 1.440496 0.304520 -0.218352 0.370 Uiso 1 1 calc R U . . .
C83 C 1.6482(6) 0.2376(5) -0.2564(4) 0.250(5) Uani 1 1 d D U . . .
H83A H 1.677949 0.241544 -0.232393 0.375 Uiso 1 1 calc R U . . .
H83B H 1.656284 0.258280 -0.272288 0.375 Uiso 1 1 calc R U . . .
H83C H 1.657659 0.211951 -0.265482 0.375 Uiso 1 1 calc R U . . .
C167 C 0.9543(6) -0.2522(4) -0.1034(4) 0.221(5) Uani 1 1 d D U . . .
H16G H 0.934861 -0.247972 -0.083113 0.331 Uiso 1 1 calc R U . . .
H16H H 0.980553 -0.229039 -0.106545 0.331 Uiso 1 1 calc R U . . .
H16I H 0.917751 -0.256427 -0.125085 0.331 Uiso 1 1 calc R U . . .
C21 C 1.0039(7) -0.3121(5) -0.0308(3) 0.239(5) Uani 1 1 d D U . . .
H21A H 1.006819 -0.338418 -0.020256 0.359 Uiso 1 1 calc R U . . .
H21B H 0.957690 -0.302113 -0.034565 0.359 Uiso 1 1 calc R U . . .
H21C H 1.035480 -0.294558 -0.014590 0.359 Uiso 1 1 calc R U . . .
O9 O 1.5654(7) 0.0079(4) 0.0219(4) 0.267(4) Uani 1 1 d D U . . .
O19 O 1.4899(8) -0.0306(4) 0.0216(4) 0.261(4) Uani 1 1 d D U . . .
C169 C 1.1682(6) -0.0207(5) -0.3670(5) 0.253(6) Uani 1 1 d D U . . .
H16M H 1.148447 -0.025120 -0.346886 0.380 Uiso 1 1 calc R U . . .
H16N H 1.138690 -0.032120 -0.388705 0.380 Uiso 1 1 calc R U . . .
H16O H 1.172850 0.007534 -0.370432 0.380 Uiso 1 1 calc R U . . .
C85 C 1.6048(8) -0.3866(5) -0.0997(3) 0.256(6) Uani 1 1 d D U . . .
H85A H 1.564391 -0.395176 -0.117876 0.384 Uiso 1 1 calc R U . . .
H85B H 1.641833 -0.405083 -0.098954 0.384 Uiso 1 1 calc R U . . .
H85C H 1.617970 -0.360405 -0.105755 0.384 Uiso 1 1 calc R U . . .
C171 C 1.7097(6) -0.3998(4) -0.0258(4) 0.237(5) Uani 1 1 d D U . . .
H17D H 1.735610 -0.377492 -0.031262 0.356 Uiso 1 1 calc R U . . .
H17E H 1.710311 -0.421183 -0.042573 0.356 Uiso 1 1 calc R U . . .
H17F H 1.730089 -0.408755 -0.001382 0.356 Uiso 1 1 calc R U . . .
C43 C 1.6275(9) 0.0337(6) 0.0323(6) 0.295(7) Uani 1 1 d D U . . .
H43A H 1.667060 0.018795 0.029878 0.443 Uiso 1 1 calc R U . . .
H43B H 1.634600 0.042314 0.057052 0.443 Uiso 1 1 calc R U . . .
H43C H 1.621197 0.056639 0.016533 0.443 Uiso 1 1 calc R U . . .
C173 C 1.4941(12) -0.0562(5) 0.0539(5) 0.326(8) Uani 1 1 d D U . . .
H17G H 1.464157 -0.045724 0.067721 0.489 Uiso 1 1 calc R U . . .
H17H H 1.479999 -0.082984 0.046143 0.489 Uiso 1 1 calc R U . . .
H17I H 1.540723 -0.056592 0.068844 0.489 Uiso 1 1 calc R U . . .


_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 O1 2.117(5) . ?
Rh1 O4 2.091(6) . ?
Rh1 N4 2.102(4) . ?
Rh1 C116 2.106(7) . ?
Rh1 C118 2.120(7) . ?
Rh1 C120 2.147(7) . ?
Rh1 C122 2.149(7) . ?
Rh1 C124 2.123(7) . ?
Rh4 O10 2.085(6) . ?
Rh4 O16 2.116(6) . ?
Rh4 N12 2.109(4) . ?
Rh4 C113 2.117(7) . ?
Rh4 C57 2.121(7) . ?
Rh4 C115 2.123(7) . ?
Rh4 C29 2.121(7) . ?
Rh4 C117 2.117(7) . ?
Rh6 O20 2.092(6) . ?
Rh6 O5 2.158(6) . ?
Rh6 N5 2.084(8) . ?
Rh6 C25 2.129(8) . ?
Rh6 C101 2.068(8) . ?
Rh6 C51 2.097(8) . ?
Rh6 C103 2.175(8) . ?
Rh6 C13 2.194(8) . ?
Rh7 O8 2.113(6) . ?
Rh7 O14 2.035(7) . ?
Rh7 N2 2.092(5) 3_855 ?
Rh7 C131 2.123(9) . ?
Rh7 C33 2.168(8) . ?
Rh7 C133 2.172(8) . ?
Rh7 C67 2.131(8) . ?
Rh7 C135 2.100(9) . ?
Rh2 O3 2.116(7) 3_855 ?
Rh2 N9 2.092(4) . ?
Rh2 O2 2.065(8) 3_855 ?
Rh2 C145 2.239(9) . ?
Rh2 C73 2.177(8) . ?
Rh2 C147 2.075(8) . ?
Rh2 C37 2.078(8) . ?
Rh2 C149 2.180(8) . ?
Rh5 O11 2.114(7) . ?
Rh5 O15 2.069(7) . ?
Rh5 N11 2.115(8) 3_855 ?
Rh5 C75 2.123(9) . ?
Rh5 C151 2.195(9) . ?
Rh5 C19 2.153(8) . ?
Rh5 C153 2.051(9) . ?
Rh5 C77 2.032(9) . ?
Rh3 Rh3 3.0277(17) 3_855 ?
Rh3 C53 2.169(9) . ?
Rh3 C107 2.023(8) . ?
Rh3 C27 2.022(9) . ?
Rh3 C109 2.169(8) . ?
Rh3 C55 2.255(9) . ?
Rh3 O9 2.045(11) . ?
Rh3 O9 2.096(13) 3_855 ?
Rh3 O19 2.023(11) . ?
Rh3 O19 2.085(12) 3_855 ?
O1 C52 1.280(9) . ?
O4 N1 1.377(7) . ?
O6 C14 1.220(10) . ?
O8 C58 1.224(10) . ?
O10 N6 1.373(8) . ?
O12 C62 1.199(9) . ?
O14 N8 1.405(9) . ?
N1 C12 1.388(10) . ?
N1 C52 1.336(9) . ?
O16 C66 1.253(10) . ?
O18 C12 1.236(10) . ?
O20 N10 1.364(8) . ?
O5 C110 1.262(10) . ?
N4 C1 1.3900 . ?
N4 C10 1.3900 . ?
C1 H1 0.9500 . ?
C1 C4 1.3900 . ?
C4 H4 0.9500 . ?
C4 C6 1.3900 . ?
C6 C8 1.3900 . ?
C6 C121 1.451(11) . ?
C8 H8 0.9500 . ?
C8 C10 1.3900 . ?
C10 H10 0.9500 . ?
N6 C14 1.399(11) . ?
N6 C66 1.352(10) . ?
O11 C54 1.277(11) . ?
O3 C134 1.250(11) . ?
O13 C11 1.235(11) . ?
C12 C168 1.453(11) . ?
C14 C90 1.467(10) . ?
N8 C58 1.369(11) . ?
N8 C140 1.416(12) . ?
N10 C62 1.410(10) . ?
N10 C110 1.400(11) . ?
N12 C16 1.3900 . ?
N12 C24 1.3900 . ?
C16 H16 0.9500 . ?
C16 C18 1.3900 . ?
C18 H18 0.9500 . ?
C18 C20 1.3900 . ?
C20 C22 1.3900 . ?
C20 C89 1.410(11) . ?
C22 H22 0.9500 . ?
C22 C24 1.3900 . ?
C24 H24 0.9500 . ?
N3 O2 1.392(9) . ?
N3 C128 1.382(13) . ?
N3 C134 1.353(12) . ?
C26 C28 1.422(11) . ?
C26 C30 1.360(11) . ?
C26 C62 1.453(12) . ?
C28 C60 1.422(12) . ?
C28 C64 1.436(11) . ?
C30 H30 0.9500 . ?
C30 C114 1.392(11) . ?
N7 C54 1.281(12) . ?
N7 O15 1.403(9) . ?
N7 C11 1.322(12) . ?
O7 C128 1.169(11) . ?
N2 C32 1.3900 . ?
N2 C40 1.3900 . ?
C32 H32 0.9500 . ?
C32 C34 1.3900 . ?
C34 H34 0.9500 . ?
C34 C36 1.3900 . ?
C36 C38 1.3900 . ?
C36 C126 1.497(11) . ?
C38 H38 0.9500 . ?
C38 C40 1.3900 . ?
C40 H40 0.9500 . ?
N9 C42 1.3900 . ?
N9 C50 1.3900 . ?
C42 H42 0.9500 . ?
C42 C44 1.3900 . ?
C44 H44 0.9500 . ?
C44 C46 1.3900 . ?
C46 C48 1.3900 . ?
C46 C91 1.412(11) . ?
C48 H48 0.9500 . ?
C48 C50 1.3900 . ?
C50 H50 0.9500 . ?
C52 C96 1.472(9) . ?
C54 C84 1.540(11) . ?
N5 C49 1.358(11) . ?
N5 C119 1.368(12) . ?
C56 C74 1.423(11) . ?
C56 C126 1.148(12) . ?
C58 C106 1.457(12) . ?
C60 C106 1.383(11) . ?
C60 C108 1.402(11) . ?
C64 C110 1.409(12) . ?
C64 C138 1.396(12) . ?
C66 C80 1.441(11) . ?
C68 C70 1.3900 . ?
C68 C78 1.3900 . ?
C68 C93 1.459(11) . ?
C70 H70 0.9500 . ?
C70 C72 1.3900 . ?
C72 H72 0.9500 . ?
C72 C74 1.3900 . ?
C74 C76 1.3900 . ?
C76 H76 0.9500 . ?
C76 C78 1.3900 . ?
C78 H78 0.9500 . ?
C80 C88 1.387(9) . ?
C80 C132 1.384(11) . ?
C82 H82 0.9500 . ?
C82 C84 1.3900 . ?
C82 C92 1.3900 . ?
C84 C86 1.3900 . ?
C86 C88 1.3900 . ?
C86 C112 1.460(10) . ?
C88 C90 1.3900 . ?
C90 C92 1.3900 . ?
C92 H92 0.9500 . ?
C94 H94 0.9500 . ?
C94 C96 1.3900 . ?
C94 C104 1.3900 . ?
C96 C98 1.3900 . ?
C98 C100 1.3900 . ?
C98 C168 1.397(10) . ?
C100 C102 1.3900 . ?
C100 C166 1.382(10) . ?
C102 C104 1.3900 . ?
C102 C128 1.563(11) . ?
C104 H104 0.9500 . ?
N11 C45 1.323(12) . ?
N11 C15 1.324(12) . ?
C106 C114 1.422(11) . ?
C108 C140 1.422(13) . ?
C108 C160 1.343(12) . ?
O17 C140 1.223(10) . ?
C112 C11 1.428(13) . ?
C112 C23 1.370(11) . ?
C114 H114 0.9500 . ?
C116 C118 1.4200 . ?
C116 C124 1.4200 . ?
C116 C163 1.519(9) . ?
C118 C120 1.4200 . ?
C118 C159 1.507(9) . ?
C120 C122 1.4200 . ?
C120 C141 1.514(9) . ?
C122 C124 1.4200 . ?
C122 C167 1.532(9) . ?
C124 C21 1.547(9) . ?
C130 C87 1.340(13) . ?
C130 C47 1.435(13) . ?
C130 C99 1.450(13) . ?
C132 H132 0.9500 . ?
C132 C23 1.391(11) . ?
C134 C166 1.478(12) . ?
C136 H136 0.9500 . ?
C136 C158 1.345(13) . ?
C136 C49 1.488(13) . ?
C138 H138 0.9500 . ?
C138 C160 1.360(12) . ?
C142 C156 1.460(13) . ?
C142 C3 1.353(13) . ?
C142 C7 1.364(13) . ?
C144 C146 1.3900 . ?
C144 C154 1.3900 . ?
C144 C172 1.371(11) . ?
C146 H146 0.9500 . ?
C146 C148 1.3900 . ?
C148 H148 0.9500 . ?
C148 C150 1.3900 . ?
C150 C152 1.3900 . ?
C150 C105 1.434(11) . ?
C152 H152 0.9500 . ?
C152 C154 1.3900 . ?
C154 H154 0.9500 . ?
C156 C95 1.140(12) . ?
C158 C174 1.408(13) . ?
C158 C59 1.341(13) . ?
C160 H160 0.9500 . ?
C162 H162 0.9500 . ?
C162 C164 1.412(10) . ?
C162 C168 1.409(9) . ?
C164 H164 0.9500 . ?
C164 C166 1.353(10) . ?
C170 C95 1.468(14) . ?
C170 C97 1.303(13) . ?
C170 C111 1.382(14) . ?
C172 C91 1.248(12) . ?
C174 C93 1.190(12) . ?
C87 H87 0.9500 . ?
C87 C3 1.370(13) . ?
C89 C47 1.197(12) . ?
C45 H45 0.9500 . ?
C45 C111 1.404(13) . ?
C23 H23 0.9500 . ?
C3 H3 0.9500 . ?
C97 H97 0.9500 . ?
C97 C15 1.411(13) . ?
C49 H49 0.9500 . ?
C99 H99 0.9500 . ?
C99 C7 1.412(13) . ?
C25 C101 1.4200 . ?
C25 C13 1.4200 . ?
C25 C157 1.505(9) . ?
C101 C51 1.4200 . ?
C101 C69 1.494(9) . ?
C51 C103 1.4200 . ?
C51 C161 1.537(9) . ?
C103 C13 1.4200 . ?
C103 C169 1.509(10) . ?
C13 C139 1.552(9) . ?
C105 C121 1.173(12) . ?
C53 C107 1.4200 . ?
C53 C55 1.4200 . ?
C53 C9 1.516(10) . ?
C107 C27 1.4200 . ?
C107 C125 1.513(10) . ?
C27 C109 1.4200 . ?
C27 C31 1.520(10) . ?
C109 C55 1.4200 . ?
C109 C127 1.485(10) . ?
C55 C129 1.529(10) . ?
C111 H111 0.9500 . ?
C7 H7 0.9500 . ?
C113 C57 1.4200 . ?
C113 C117 1.4200 . ?
C113 C137 1.541(9) . ?
C57 C115 1.4200 . ?
C57 C39 1.512(9) . ?
C115 C29 1.4200 . ?
C115 C63 1.509(9) . ?
C29 C117 1.4200 . ?
C29 C61 1.571(9) . ?
C117 C123 1.508(9) . ?
C59 H59 0.9500 . ?
C59 C119 1.370(13) . ?
C119 H119 0.9500 . ?
C15 H15 0.9500 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C123 H12A 0.9800 . ?
C123 H12B 0.9800 . ?
C123 H12C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C125 H12D 0.9800 . ?
C125 H12E 0.9800 . ?
C125 H12F 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C127 H12G 0.9800 . ?
C127 H12H 0.9800 . ?
C127 H12I 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C2 C67 1.535(9) . ?
C129 H12J 0.9800 . ?
C129 H12K 0.9800 . ?
C129 H12L 0.9800 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C65 C19 1.542(9) . ?
C131 C33 1.4200 . ?
C131 C135 1.4200 . ?
C131 C81 1.556(10) . ?
C33 C133 1.4200 . ?
C33 C143 1.532(10) . ?
C133 C67 1.4200 . ?
C133 C71 1.515(9) . ?
C67 C135 1.4200 . ?
C135 C5 1.512(10) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C17 C153 1.528(10) . ?
C137 H13A 0.9800 . ?
C137 H13B 0.9800 . ?
C137 H13C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C139 H13D 0.9800 . ?
C139 H13E 0.9800 . ?
C139 H13F 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C35 C151 1.534(10) . ?
C141 H14A 0.9800 . ?
C141 H14B 0.9800 . ?
C141 H14C 0.9800 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C143 H14D 0.9800 . ?
C143 H14E 0.9800 . ?
C143 H14F 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C145 C73 1.4200 . ?
C145 C149 1.4200 . ?
C145 C165 1.522(10) . ?
C73 C147 1.4200 . ?
C73 C41 1.543(10) . ?
C147 C37 1.4200 . ?
C147 C83 1.543(10) . ?
C37 C149 1.4200 . ?
C37 C79 1.523(10) . ?
C149 C155 1.531(9) . ?
C75 C151 1.4200 . ?
C75 C77 1.4200 . ?
C75 C85 1.557(10) . ?
C151 C19 1.4200 . ?
C19 C153 1.4200 . ?
C153 C77 1.4200 . ?
C77 C171 1.498(10) . ?
C155 H15A 0.9800 . ?
C155 H15B 0.9800 . ?
C155 H15C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C157 H15G 0.9800 . ?
C157 H15H 0.9800 . ?
C157 H15I 0.9800 . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
C159 H15D 0.9800 . ?
C159 H15E 0.9800 . ?
C159 H15F 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C161 H16J 0.9800 . ?
C161 H16K 0.9800 . ?
C161 H16L 0.9800 . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C163 H16A 0.9800 . ?
C163 H16B 0.9800 . ?
C163 H16C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C165 H16D 0.9800 . ?
C165 H16E 0.9800 . ?
C165 H16F 0.9800 . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C167 H16G 0.9800 . ?
C167 H16H 0.9800 . ?
C167 H16I 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
O9 C43 1.512(14) . ?
O19 C173 1.512(13) . ?
C169 H16M 0.9800 . ?
C169 H16N 0.9800 . ?
C169 H16O 0.9800 . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
C171 H17D 0.9800 . ?
C171 H17E 0.9800 . ?
C171 H17F 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C173 H17G 0.9800 . ?
C173 H17H 0.9800 . ?
C173 H17I 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
O1 Rh1 C118 157.9(3) . . ?
O1 Rh1 C120 146.5(3) . . ?
O1 Rh1 C122 109.7(2) . . ?
O1 Rh1 C124 96.6(2) . . ?
O4 Rh1 O1 77.7(2) . . ?
O4 Rh1 N4 86.5(2) . . ?
O4 Rh1 C116 100.4(2) . . ?
O4 Rh1 C118 103.2(2) . . ?
O4 Rh1 C120 135.7(3) . . ?
O4 Rh1 C122 165.7(2) . . ?
O4 Rh1 C124 130.0(3) . . ?
N4 Rh1 O1 83.6(2) . . ?
N4 Rh1 C116 157.5(3) . . ?
N4 Rh1 C118 118.4(3) . . ?
N4 Rh1 C120 94.7(2) . . ?
N4 Rh1 C122 106.2(3) . . ?
N4 Rh1 C124 142.8(3) . . ?
C116 Rh1 O1 118.7(3) . . ?
C116 Rh1 C118 39.27(11) . . ?
C116 Rh1 C120 65.40(13) . . ?
C116 Rh1 C122 65.37(13) . . ?
C116 Rh1 C124 39.24(11) . . ?
C118 Rh1 C120 38.87(11) . . ?
C118 Rh1 C122 65.12(13) . . ?
C118 Rh1 C124 65.56(13) . . ?
C120 Rh1 C122 38.61(11) . . ?
C124 Rh1 C120 65.10(13) . . ?
C124 Rh1 C122 38.83(11) . . ?
O10 Rh4 O16 77.1(2) . . ?
O10 Rh4 N12 83.9(2) . . ?
O10 Rh4 C113 160.4(3) . . ?
O10 Rh4 C57 121.4(3) . . ?
O10 Rh4 C115 97.1(2) . . ?
O10 Rh4 C29 107.2(3) . . ?
O10 Rh4 C117 143.4(3) . . ?
O16 Rh4 C113 104.3(3) . . ?
O16 Rh4 C57 97.0(2) . . ?
O16 Rh4 C115 123.8(3) . . ?
O16 Rh4 C29 162.0(3) . . ?
N12 Rh4 O16 85.9(2) . . ?
N12 Rh4 C113 115.7(3) . . ?
N12 Rh4 C57 154.6(3) . . ?
N12 Rh4 C115 149.8(3) . . ?
N12 Rh4 C29 111.7(3) . . ?
N12 Rh4 C117 95.9(2) . . ?
C113 Rh4 C57 39.15(12) . . ?
C113 Rh4 C115 65.61(14) . . ?
C113 Rh4 C29 65.66(14) . . ?
C57 Rh4 C115 39.09(11) . . ?
C29 Rh4 C57 65.59(14) . . ?
C29 Rh4 C115 39.10(12) . . ?
C117 Rh4 O16 139.5(3) . . ?
C117 Rh4 C113 39.19(12) . . ?
C117 Rh4 C57 65.66(14) . . ?
C117 Rh4 C115 65.62(14) . . ?
C117 Rh4 C29 39.16(12) . . ?
O20 Rh6 O5 77.3(2) . . ?
O20 Rh6 C25 151.0(3) . . ?
O20 Rh6 C51 97.3(3) . . ?
O20 Rh6 C103 117.6(3) . . ?
O20 Rh6 C13 155.3(3) . . ?
O5 Rh6 C103 97.5(3) . . ?
O5 Rh6 C13 99.7(3) . . ?
N5 Rh6 O20 83.9(3) . . ?
N5 Rh6 O5 85.5(3) . . ?
N5 Rh6 C25 97.6(3) . . ?
N5 Rh6 C51 146.7(3) . . ?
N5 Rh6 C103 158.5(3) . . ?
N5 Rh6 C13 120.6(3) . . ?
C25 Rh6 O5 131.7(3) . . ?
C25 Rh6 C103 64.52(15) . . ?
C25 Rh6 C13 38.31(12) . . ?
C101 Rh6 O20 112.6(3) . . ?
C101 Rh6 O5 162.7(3) . . ?
C101 Rh6 N5 109.1(3) . . ?
C101 Rh6 C25 39.52(13) . . ?
C101 Rh6 C51 39.86(13) . . ?
C101 Rh6 C103 65.52(15) . . ?
C101 Rh6 C13 65.17(15) . . ?
C51 Rh6 O5 127.4(3) . . ?
C51 Rh6 C25 65.86(15) . . ?
C51 Rh6 C103 38.77(13) . . ?
C51 Rh6 C13 64.70(15) . . ?
C103 Rh6 C13 37.93(12) . . ?
O8 Rh7 C131 101.9(3) . . ?
O8 Rh7 C33 101.5(3) . . ?
O8 Rh7 C133 131.3(3) . . ?
O8 Rh7 C67 165.7(3) . . ?
O14 Rh7 O8 78.4(2) . . ?
O14 Rh7 N2 85.6(3) . 3_855 ?
O14 Rh7 C131 113.9(3) . . ?
O14 Rh7 C33 152.4(3) . . ?
O14 Rh7 C133 150.2(3) . . ?
O14 Rh7 C67 112.2(3) . . ?
O14 Rh7 C135 94.7(3) . . ?
N2 Rh7 O8 85.9(2) 3_855 . ?
N2 Rh7 C131 160.0(3) 3_855 . ?
N2 Rh7 C33 122.0(3) 3_855 . ?
N2 Rh7 C133 96.2(3) 3_855 . ?
N2 Rh7 C67 104.0(3) 3_855 . ?
N2 Rh7 C135 139.8(3) 3_855 . ?
C131 Rh7 C33 38.63(14) . . ?
C131 Rh7 C133 64.66(16) . . ?
C131 Rh7 C67 65.39(17) . . ?
C33 Rh7 C133 38.19(13) . . ?
C67 Rh7 C33 64.61(16) . . ?
C67 Rh7 C133 38.52(13) . . ?
C135 Rh7 O8 133.6(3) . . ?
C135 Rh7 C131 39.30(15) . . ?
C135 Rh7 C33 65.13(17) . . ?
C135 Rh7 C133 65.04(16) . . ?
C135 Rh7 C67 39.22(14) . . ?
O3 Rh2 C145 98.4(3) 3_855 . ?
O3 Rh2 C73 96.2(3) 3_855 . ?
O3 Rh2 C149 129.8(3) 3_855 . ?
N9 Rh2 O3 86.4(2) . 3_855 ?
N9 Rh2 C145 116.7(3) . . ?
N9 Rh2 C73 154.2(3) . . ?
N9 Rh2 C149 95.1(2) . . ?
O2 Rh2 O3 76.7(3) 3_855 3_855 ?
O2 Rh2 N9 85.6(2) 3_855 . ?
O2 Rh2 C145 157.1(3) 3_855 . ?
O2 Rh2 C73 120.0(3) 3_855 . ?
O2 Rh2 C147 100.4(3) 3_855 . ?
O2 Rh2 C37 115.9(3) 3_855 . ?
O2 Rh2 C149 153.4(3) 3_855 . ?
C73 Rh2 C145 37.48(13) . . ?
C73 Rh2 C149 63.65(16) . . ?
C147 Rh2 O3 126.9(3) . 3_855 ?
C147 Rh2 N9 146.7(3) . . ?
C147 Rh2 C145 64.22(16) . . ?
C147 Rh2 C73 38.93(13) . . ?
C147 Rh2 C37 39.99(15) . . ?
C147 Rh2 C149 65.30(15) . . ?
C37 Rh2 O3 160.9(3) . 3_855 ?
C37 Rh2 N9 108.0(3) . . ?
C37 Rh2 C145 64.19(15) . . ?
C37 Rh2 C73 65.33(16) . . ?
C37 Rh2 C149 38.87(13) . . ?
C149 Rh2 C145 37.46(13) . . ?
O11 Rh5 N11 83.6(3) . 3_855 ?
O11 Rh5 C75 96.1(3) . . ?
O11 Rh5 C151 102.6(3) . . ?
O11 Rh5 C19 136.0(3) . . ?
O15 Rh5 O11 77.9(3) . . ?
O15 Rh5 N11 86.1(3) . 3_855 ?
O15 Rh5 C75 120.6(3) . . ?
O15 Rh5 C151 158.8(3) . . ?
O15 Rh5 C19 146.0(3) . . ?
N11 Rh5 C75 152.8(4) 3_855 . ?
N11 Rh5 C151 115.0(4) 3_855 . ?
N11 Rh5 C19 96.4(3) 3_855 . ?
C75 Rh5 C151 38.35(14) . . ?
C75 Rh5 C19 65.00(17) . . ?
C19 Rh5 C151 38.11(14) . . ?
C153 Rh5 O11 162.8(3) . . ?
C153 Rh5 O15 108.6(3) . . ?
C153 Rh5 N11 112.2(3) . 3_855 ?
C153 Rh5 C75 66.77(17) . . ?
C153 Rh5 C151 65.41(17) . . ?
C153 Rh5 C19 39.39(14) . . ?
C77 Rh5 O11 124.2(3) . . ?
C77 Rh5 O15 96.2(3) . . ?
C77 Rh5 N11 152.0(4) . 3_855 ?
C77 Rh5 C75 39.89(15) . . ?
C77 Rh5 C151 65.72(17) . . ?
C77 Rh5 C19 66.53(17) . . ?
C77 Rh5 C153 40.70(16) . . ?
C53 Rh3 Rh3 142.5(2) . 3_855 ?
C53 Rh3 C55 37.38(13) . . ?
C107 Rh3 Rh3 149.6(3) . 3_855 ?
C107 Rh3 C53 39.41(14) . . ?
C107 Rh3 C109 66.38(15) . . ?
C107 Rh3 C55 64.72(16) . . ?
C107 Rh3 O9 141.2(5) . . ?
C107 Rh3 O9 119.1(5) . 3_855 ?
C107 Rh3 O19 162.2(5) . 3_855 ?
C107 Rh3 O19 108.1(4) . . ?
C27 Rh3 Rh3 150.2(3) . 3_855 ?
C27 Rh3 C53 66.37(15) . . ?
C27 Rh3 C107 41.10(15) . . ?
C27 Rh3 C109 39.42(14) . . ?
C27 Rh3 C55 64.72(16) . . ?
C27 Rh3 O9 108.9(5) . . ?
C27 Rh3 O9 159.8(5) . 3_855 ?
C27 Rh3 O19 119.3(5) . . ?
C27 Rh3 O19 141.8(5) . 3_855 ?
C109 Rh3 Rh3 143.3(2) . 3_855 ?
C109 Rh3 C53 63.97(16) . . ?
C109 Rh3 C55 37.39(13) . . ?
C55 Rh3 Rh3 139.6(2) . 3_855 ?
O9 Rh3 Rh3 43.7(4) . 3_855 ?
O9 Rh3 Rh3 42.4(3) 3_855 3_855 ?
O9 Rh3 C53 100.5(4) 3_855 . ?
O9 Rh3 C53 171.1(5) . . ?
O9 Rh3 C109 149.8(5) 3_855 . ?
O9 Rh3 C109 107.5(5) . . ?
O9 Rh3 C55 114.8(5) 3_855 . ?
O9 Rh3 C55 134.2(5) . . ?
O9 Rh3 O9 86.0(6) . 3_855 ?
O9 Rh3 O19 55.8(5) . 3_855 ?
O19 Rh3 Rh3 41.7(3) 3_855 3_855 ?
O19 Rh3 Rh3 43.3(4) . 3_855 ?
O19 Rh3 C53 122.9(5) 3_855 . ?
O19 Rh3 C53 128.9(5) . . ?
O19 Rh3 C109 153.9(5) . . ?
O19 Rh3 C109 107.0(4) 3_855 . ?
O19 Rh3 C55 165.2(5) . . ?
O19 Rh3 C55 99.7(4) 3_855 . ?
O19 Rh3 O9 56.0(5) . 3_855 ?
O19 Rh3 O9 58.0(4) 3_855 3_855 ?
O19 Rh3 O9 59.8(5) . . ?
O19 Rh3 O19 85.0(6) . 3_855 ?
C52 O1 Rh1 112.3(5) . . ?
N1 O4 Rh1 111.1(4) . . ?
C58 O8 Rh7 114.0(6) . . ?
N6 O10 Rh4 111.3(5) . . ?
N8 O14 Rh7 110.4(5) . . ?
O4 N1 C12 117.8(7) . . ?
C52 N1 O4 117.8(7) . . ?
C52 N1 C12 124.3(8) . . ?
C66 O16 Rh4 113.9(6) . . ?
N10 O20 Rh6 110.8(5) . . ?
C110 O5 Rh6 112.7(6) . . ?
C1 N4 Rh1 119.1(3) . . ?
C1 N4 C10 120.0 . . ?
C10 N4 Rh1 120.9(3) . . ?
N4 C1 H1 120.0 . . ?
C4 C1 N4 120.0 . . ?
C4 C1 H1 120.0 . . ?
C1 C4 H4 120.0 . . ?
C1 C4 C6 120.0 . . ?
C6 C4 H4 120.0 . . ?
C4 C6 C121 121.2(6) . . ?
C8 C6 C4 120.0 . . ?
C8 C6 C121 118.8(6) . . ?
C6 C8 H8 120.0 . . ?
C10 C8 C6 120.0 . . ?
C10 C8 H8 120.0 . . ?
N4 C10 H10 120.0 . . ?
C8 C10 N4 120.0 . . ?
C8 C10 H10 120.0 . . ?
O10 N6 C14 115.2(8) . . ?
C66 N6 O10 117.9(8) . . ?
C66 N6 C14 126.8(9) . . ?
C54 O11 Rh5 109.8(7) . . ?
C134 O3 Rh2 113.5(7) . 3_855 ?
N1 C12 C168 116.3(8) . . ?
O18 C12 N1 118.9(8) . . ?
O18 C12 C168 124.8(9) . . ?
O6 C14 N6 121.2(9) . . ?
O6 C14 C90 124.1(9) . . ?
N6 C14 C90 114.7(8) . . ?
O14 N8 C140 119.4(8) . . ?
C58 N8 O14 117.7(8) . . ?
C58 N8 C140 122.9(9) . . ?
O20 N10 C62 117.3(7) . . ?
O20 N10 C110 118.6(8) . . ?
C110 N10 C62 124.0(9) . . ?
C16 N12 Rh4 120.5(4) . . ?
C16 N12 C24 120.0 . . ?
C24 N12 Rh4 119.4(4) . . ?
N12 C16 H16 120.0 . . ?
N12 C16 C18 120.0 . . ?
C18 C16 H16 120.0 . . ?
C16 C18 H18 120.0 . . ?
C16 C18 C20 120.0 . . ?
C20 C18 H18 120.0 . . ?
C18 C20 C89 119.3(7) . . ?
C22 C20 C18 120.0 . . ?
C22 C20 C89 120.7(7) . . ?
C20 C22 H22 120.0 . . ?
C20 C22 C24 120.0 . . ?
C24 C22 H22 120.0 . . ?
N12 C24 H24 120.0 . . ?
C22 C24 N12 120.0 . . ?
C22 C24 H24 120.0 . . ?
C128 N3 O2 113.1(9) . . ?
C134 N3 O2 114.8(9) . . ?
C134 N3 C128 132.0(9) . . ?
C28 C26 C62 118.7(9) . . ?
C30 C26 C28 120.7(9) . . ?
C30 C26 C62 120.5(8) . . ?
C26 C28 C64 121.7(9) . . ?
C60 C28 C26 119.2(8) . . ?
C60 C28 C64 119.0(9) . . ?
C26 C30 H30 119.7 . . ?
C26 C30 C114 120.6(9) . . ?
C114 C30 H30 119.7 . . ?
C54 N7 O15 115.4(10) . . ?
C54 N7 C11 125.7(11) . . ?
C11 N7 O15 118.5(10) . . ?
C32 N2 Rh7 118.9(4) . 3_855 ?
C32 N2 C40 120.0 . . ?
C40 N2 Rh7 121.0(4) . 3_855 ?
N2 C32 H32 120.0 . . ?
C34 C32 N2 120.0 . . ?
C34 C32 H32 120.0 . . ?
C32 C34 H34 120.0 . . ?
C32 C34 C36 120.0 . . ?
C36 C34 H34 120.0 . . ?
C34 C36 C38 120.0 . . ?
C34 C36 C126 122.4(7) . . ?
C38 C36 C126 117.5(7) . . ?
C36 C38 H38 120.0 . . ?
C40 C38 C36 120.0 . . ?
C40 C38 H38 120.0 . . ?
N2 C40 H40 120.0 . . ?
C38 C40 N2 120.0 . . ?
C38 C40 H40 120.0 . . ?
C42 N9 Rh2 120.4(4) . . ?
C50 N9 Rh2 119.3(4) . . ?
C50 N9 C42 120.0 . . ?
N9 C42 H42 120.0 . . ?
C44 C42 N9 120.0 . . ?
C44 C42 H42 120.0 . . ?
C42 C44 H44 120.0 . . ?
C42 C44 C46 120.0 . . ?
C46 C44 H44 120.0 . . ?
C44 C46 C91 120.0(8) . . ?
C48 C46 C44 120.0 . . ?
C48 C46 C91 119.9(8) . . ?
C46 C48 H48 120.0 . . ?
C46 C48 C50 120.0 . . ?
C50 C48 H48 120.0 . . ?
N9 C50 H50 120.0 . . ?
C48 C50 N9 120.0 . . ?
C48 C50 H50 120.0 . . ?
O1 C52 N1 121.0(7) . . ?
O1 C52 C96 120.0(7) . . ?
N1 C52 C96 119.0(7) . . ?
O11 C54 N7 125.3(11) . . ?
O11 C54 C84 116.5(10) . . ?
N7 C54 C84 118.2(10) . . ?
N7 O15 Rh5 111.5(6) . . ?
C49 N5 Rh6 119.4(8) . . ?
C49 N5 C119 116.6(10) . . ?
C119 N5 Rh6 123.8(7) . . ?
C126 C56 C74 177.9(14) . . ?
O8 C58 N8 119.1(9) . . ?
O8 C58 C106 124.0(9) . . ?
N8 C58 C106 116.8(9) . . ?
C106 C60 C28 119.4(8) . . ?
C106 C60 C108 120.4(9) . . ?
C108 C60 C28 120.2(9) . . ?
O12 C62 N10 118.1(9) . . ?
O12 C62 C26 124.6(9) . . ?
N10 C62 C26 117.2(9) . . ?
N3 O2 Rh2 113.3(6) . 3_855 ?
C110 C64 C28 118.9(9) . . ?
C138 C64 C28 116.5(9) . . ?
C138 C64 C110 124.6(9) . . ?
O16 C66 N6 119.7(9) . . ?
O16 C66 C80 124.1(9) . . ?
N6 C66 C80 116.2(9) . . ?
C70 C68 C78 120.0 . . ?
C70 C68 C93 120.6(6) . . ?
C78 C68 C93 119.4(6) . . ?
C68 C70 H70 120.0 . . ?
C68 C70 C72 120.0 . . ?
C72 C70 H70 120.0 . . ?
C70 C72 H72 120.0 . . ?
C74 C72 C70 120.0 . . ?
C74 C72 H72 120.0 . . ?
C72 C74 C56 119.5(7) . . ?
C72 C74 C76 120.0 . . ?
C76 C74 C56 120.4(7) . . ?
C74 C76 H76 120.0 . . ?
C74 C76 C78 120.0 . . ?
C78 C76 H76 120.0 . . ?
C68 C78 H78 120.0 . . ?
C76 C78 C68 120.0 . . ?
C76 C78 H78 120.0 . . ?
C88 C80 C66 121.6(9) . . ?
C132 C80 C66 120.1(9) . . ?
C132 C80 C88 118.1(8) . . ?
C84 C82 H82 120.0 . . ?
C84 C82 C92 120.0 . . ?
C92 C82 H82 120.0 . . ?
C82 C84 C54 122.7(7) . . ?
C82 C84 C86 120.0 . . ?
C86 C84 C54 117.3(6) . . ?
C84 C86 C112 119.9(6) . . ?
C88 C86 C84 120.0 . . ?
C88 C86 C112 120.0(6) . . ?
C80 C88 C86 120.2(6) . . ?
C80 C88 C90 119.8(6) . . ?
C86 C88 C90 120.0 . . ?
C88 C90 C14 120.8(6) . . ?
C88 C90 C92 120.0 . . ?
C92 C90 C14 119.2(6) . . ?
C82 C92 H92 120.0 . . ?
C90 C92 C82 120.0 . . ?
C90 C92 H92 120.0 . . ?
C96 C94 H94 120.0 . . ?
C96 C94 C104 120.0 . . ?
C104 C94 H94 120.0 . . ?
C94 C96 C52 120.6(5) . . ?
C94 C96 C98 120.0 . . ?
C98 C96 C52 119.3(5) . . ?
C96 C98 C168 119.1(5) . . ?
C100 C98 C96 120.0 . . ?
C100 C98 C168 120.9(5) . . ?
C102 C100 C98 120.0 . . ?
C166 C100 C98 119.2(6) . . ?
C166 C100 C102 120.7(6) . . ?
C100 C102 C128 122.5(6) . . ?
C104 C102 C100 120.0 . . ?
C104 C102 C128 117.4(6) . . ?
C94 C104 H104 120.0 . . ?
C102 C104 C94 120.0 . . ?
C102 C104 H104 120.0 . . ?
C45 N11 Rh5 120.8(8) . 3_855 ?
C45 N11 C15 120.1(10) . . ?
C15 N11 Rh5 117.9(8) . 3_855 ?
C60 C106 C58 121.4(9) . . ?
C60 C106 C114 120.2(9) . . ?
C114 C106 C58 118.3(9) . . ?
C60 C108 C140 119.3(10) . . ?
C160 C108 C60 119.4(10) . . ?
C160 C108 C140 121.1(10) . . ?
O5 C110 N10 118.3(9) . . ?
O5 C110 C64 122.5(9) . . ?
N10 C110 C64 119.1(9) . . ?
C11 C112 C86 116.8(9) . . ?
C23 C112 C86 119.1(9) . . ?
C23 C112 C11 124.1(10) . . ?
C30 C114 C106 119.9(9) . . ?
C30 C114 H114 120.0 . . ?
C106 C114 H114 120.0 . . ?
C118 C116 Rh1 70.9(3) . . ?
C118 C116 C124 108.0 . . ?
C118 C116 C163 126.3(8) . . ?
C124 C116 Rh1 71.0(3) . . ?
C124 C116 C163 125.6(8) . . ?
C163 C116 Rh1 125.7(7) . . ?
C116 C118 Rh1 69.8(3) . . ?
C116 C118 C120 108.0 . . ?
C116 C118 C159 127.6(7) . . ?
C120 C118 Rh1 71.6(3) . . ?
C120 C118 C159 124.0(7) . . ?
C159 C118 Rh1 129.7(7) . . ?
C118 C120 Rh1 69.6(3) . . ?
C118 C120 C141 125.6(7) . . ?
C122 C120 Rh1 70.8(3) . . ?
C122 C120 C118 108.0 . . ?
C122 C120 C141 126.4(7) . . ?
C141 C120 Rh1 126.6(7) . . ?
C120 C122 Rh1 70.6(3) . . ?
C120 C122 C124 108.0 . . ?
C120 C122 C167 117.9(7) . . ?
C124 C122 Rh1 69.6(3) . . ?
C124 C122 C167 134.0(7) . . ?
C167 C122 Rh1 122.7(7) . . ?
C116 C124 Rh1 69.7(3) . . ?
C116 C124 C122 108.0 . . ?
C116 C124 C21 125.0(8) . . ?
C122 C124 Rh1 71.6(3) . . ?
C122 C124 C21 126.8(8) . . ?
C21 C124 Rh1 120.7(7) . . ?
C56 C126 C36 171.1(13) . . ?
N3 C128 C102 108.9(9) . . ?
O7 C128 N3 128.2(10) . . ?
O7 C128 C102 122.5(10) . . ?
C87 C130 C47 124.4(10) . . ?
C87 C130 C99 119.0(10) . . ?
C47 C130 C99 116.6(10) . . ?
C80 C132 H132 117.9 . . ?
C80 C132 C23 124.3(9) . . ?
C23 C132 H132 117.9 . . ?
O3 C134 N3 121.4(10) . . ?
O3 C134 C166 122.7(11) . . ?
N3 C134 C166 115.9(10) . . ?
C158 C136 H136 120.0 . . ?
C158 C136 C49 120.1(10) . . ?
C49 C136 H136 120.0 . . ?
C64 C138 H138 118.6 . . ?
C160 C138 C64 122.8(10) . . ?
C160 C138 H138 118.6 . . ?
N8 C140 C108 119.1(9) . . ?
O17 C140 N8 116.7(10) . . ?
O17 C140 C108 124.2(11) . . ?
C3 C142 C156 119.7(11) . . ?
C3 C142 C7 119.6(11) . . ?
C7 C142 C156 120.7(11) . . ?
C146 C144 C154 120.0 . . ?
C172 C144 C146 121.5(8) . . ?
C172 C144 C154 118.5(8) . . ?
C144 C146 H146 120.0 . . ?
C148 C146 C144 120.0 . . ?
C148 C146 H146 120.0 . . ?
C146 C148 H148 120.0 . . ?
C146 C148 C150 120.0 . . ?
C150 C148 H148 120.0 . . ?
C148 C150 C105 122.7(7) . . ?
C152 C150 C148 120.0 . . ?
C152 C150 C105 117.1(7) . . ?
C150 C152 H152 120.0 . . ?
C150 C152 C154 120.0 . . ?
C154 C152 H152 120.0 . . ?
C144 C154 H154 120.0 . . ?
C152 C154 C144 120.0 . . ?
C152 C154 H154 120.0 . . ?
C95 C156 C142 178.1(14) . . ?
C136 C158 C174 118.7(11) . . ?
C59 C158 C136 120.0(11) . . ?
C59 C158 C174 121.3(12) . . ?
C108 C160 C138 121.8(10) . . ?
C108 C160 H160 119.1 . . ?
C138 C160 H160 119.1 . . ?
C164 C162 H162 120.6 . . ?
C168 C162 H162 120.6 . . ?
C168 C162 C164 118.8(8) . . ?
C162 C164 H164 119.6 . . ?
C166 C164 C162 120.7(8) . . ?
C166 C164 H164 119.6 . . ?
C100 C166 C134 120.0(9) . . ?
C164 C166 C100 121.3(8) . . ?
C164 C166 C134 118.7(9) . . ?
C98 C168 C12 121.8(7) . . ?
C98 C168 C162 118.8(7) . . ?
C162 C168 C12 119.3(8) . . ?
C97 C170 C95 126.4(12) . . ?
C97 C170 C111 117.4(11) . . ?
C111 C170 C95 116.1(11) . . ?
C91 C172 C144 176.2(12) . . ?
C93 C174 C158 172.3(11) . . ?
C130 C87 H87 118.8 . . ?
C130 C87 C3 122.3(11) . . ?
C3 C87 H87 118.8 . . ?
O13 C11 N7 121.0(11) . . ?
O13 C11 C112 117.2(11) . . ?
N7 C11 C112 121.7(11) . . ?
C47 C89 C20 177.5(11) . . ?
N11 C45 H45 119.0 . . ?
N11 C45 C111 121.9(11) . . ?
C111 C45 H45 119.0 . . ?
C172 C91 C46 176.0(12) . . ?
C112 C23 C132 118.2(10) . . ?
C112 C23 H23 120.9 . . ?
C132 C23 H23 120.9 . . ?
C174 C93 C68 175.8(12) . . ?
C89 C47 C130 172.6(12) . . ?
C156 C95 C170 170.5(14) . . ?
C142 C3 C87 120.4(11) . . ?
C142 C3 H3 119.8 . . ?
C87 C3 H3 119.8 . . ?
C170 C97 H97 118.0 . . ?
C170 C97 C15 124.0(12) . . ?
C15 C97 H97 118.0 . . ?
N5 C49 C136 118.7(10) . . ?
N5 C49 H49 120.6 . . ?
C136 C49 H49 120.6 . . ?
C130 C99 H99 122.0 . . ?
C7 C99 C130 115.9(11) . . ?
C7 C99 H99 122.0 . . ?
C101 C25 Rh6 67.9(3) . . ?
C101 C25 C157 126.6(7) . . ?
C13 C25 Rh6 73.3(3) . . ?
C13 C25 C101 108.0 . . ?
C13 C25 C157 125.0(7) . . ?
C157 C25 Rh6 130.2(7) . . ?
C25 C101 Rh6 72.6(3) . . ?
C25 C101 C69 124.9(7) . . ?
C51 C101 Rh6 71.2(3) . . ?
C51 C101 C25 108.0 . . ?
C51 C101 C69 126.8(7) . . ?
C69 C101 Rh6 126.8(7) . . ?
C101 C51 Rh6 68.9(3) . . ?
C101 C51 C103 108.0 . . ?
C101 C51 C161 124.2(8) . . ?
C103 C51 Rh6 73.6(3) . . ?
C103 C51 C161 127.7(8) . . ?
C161 C51 Rh6 124.0(7) . . ?
C51 C103 Rh6 67.6(3) . . ?
C51 C103 C169 124.1(8) . . ?
C13 C103 Rh6 71.8(3) . . ?
C13 C103 C51 108.0 . . ?
C13 C103 C169 127.9(8) . . ?
C169 C103 Rh6 127.4(8) . . ?
C25 C13 Rh6 68.4(3) . . ?
C25 C13 C139 121.7(7) . . ?
C103 C13 Rh6 70.3(3) . . ?
C103 C13 C25 108.0 . . ?
C103 C13 C139 129.0(7) . . ?
C139 C13 Rh6 116.7(7) . . ?
C121 C105 C150 178.3(13) . . ?
C107 C53 Rh3 64.7(3) . . ?
C107 C53 C55 108.0 . . ?
C107 C53 C9 131.9(8) . . ?
C55 C53 Rh3 74.6(3) . . ?
C55 C53 C9 119.8(8) . . ?
C9 C53 Rh3 131.0(8) . . ?
C53 C107 Rh3 75.9(4) . . ?
C53 C107 C27 108.0 . . ?
C53 C107 C125 117.1(8) . . ?
C27 C107 Rh3 69.4(4) . . ?
C27 C107 C125 134.9(8) . . ?
C125 C107 Rh3 121.4(7) . . ?
C107 C27 Rh3 69.5(4) . . ?
C107 C27 C109 108.0 . . ?
C107 C27 C31 133.7(8) . . ?
C109 C27 Rh3 75.9(4) . . ?
C109 C27 C31 118.1(8) . . ?
C31 C27 Rh3 116.9(7) . . ?
C27 C109 Rh3 64.7(3) . . ?
C27 C109 C127 131.3(8) . . ?
C55 C109 Rh3 74.6(4) . . ?
C55 C109 C27 108.0 . . ?
C55 C109 C127 120.5(8) . . ?
C127 C109 Rh3 130.3(8) . . ?
C53 C55 Rh3 68.0(3) . . ?
C53 C55 C129 127.6(8) . . ?
C109 C55 Rh3 68.0(3) . . ?
C109 C55 C53 108.0 . . ?
C109 C55 C129 124.3(8) . . ?
C129 C55 Rh3 132.5(9) . . ?
C170 C111 C45 118.3(12) . . ?
C170 C111 H111 120.8 . . ?
C45 C111 H111 120.8 . . ?
C142 C7 C99 122.1(11) . . ?
C142 C7 H7 118.9 . . ?
C99 C7 H7 118.9 . . ?
C57 C113 Rh4 70.6(3) . . ?
C57 C113 C137 125.1(7) . . ?
C117 C113 Rh4 70.4(3) . . ?
C117 C113 C57 108.0 . . ?
C117 C113 C137 126.9(7) . . ?
C137 C113 Rh4 124.2(7) . . ?
C113 C57 Rh4 70.3(3) . . ?
C113 C57 C39 127.4(7) . . ?
C115 C57 Rh4 70.5(3) . . ?
C115 C57 C113 108.0 . . ?
C115 C57 C39 124.4(7) . . ?
C39 C57 Rh4 120.3(7) . . ?
C57 C115 Rh4 70.4(3) . . ?
C57 C115 C29 108.0 . . ?
C57 C115 C63 127.8(7) . . ?
C29 C115 Rh4 70.3(3) . . ?
C29 C115 C63 124.2(7) . . ?
C63 C115 Rh4 123.1(7) . . ?
C115 C29 Rh4 70.6(3) . . ?
C115 C29 C61 122.4(7) . . ?
C117 C29 Rh4 70.3(3) . . ?
C117 C29 C115 108.0 . . ?
C117 C29 C61 129.5(7) . . ?
C61 C29 Rh4 127.5(6) . . ?
C113 C117 Rh4 70.4(3) . . ?
C113 C117 C29 108.0 . . ?
C113 C117 C123 125.1(7) . . ?
C29 C117 Rh4 70.6(3) . . ?
C29 C117 C123 126.8(7) . . ?
C123 C117 Rh4 126.6(7) . . ?
C158 C59 H59 120.3 . . ?
C158 C59 C119 119.4(12) . . ?
C119 C59 H59 120.3 . . ?
N5 C119 C59 125.0(11) . . ?
N5 C119 H119 117.5 . . ?
C59 C119 H119 117.5 . . ?
N11 C15 C97 118.0(11) . . ?
N11 C15 H15 121.0 . . ?
C97 C15 H15 121.0 . . ?
C105 C121 C6 169.8(13) . . ?
C29 C61 H61A 109.5 . . ?
C29 C61 H61B 109.5 . . ?
C29 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C117 C123 H12A 109.5 . . ?
C117 C123 H12B 109.5 . . ?
C117 C123 H12C 109.5 . . ?
H12A C123 H12B 109.5 . . ?
H12A C123 H12C 109.5 . . ?
H12B C123 H12C 109.5 . . ?
C27 C31 H31A 109.5 . . ?
C27 C31 H31B 109.5 . . ?
C27 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C107 C125 H12D 109.5 . . ?
C107 C125 H12E 109.5 . . ?
C107 C125 H12F 109.5 . . ?
H12D C125 H12E 109.5 . . ?
H12D C125 H12F 109.5 . . ?
H12E C125 H12F 109.5 . . ?
C115 C63 H63A 109.5 . . ?
C115 C63 H63B 109.5 . . ?
C115 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C109 C127 H12G 109.5 . . ?
C109 C127 H12H 109.5 . . ?
C109 C127 H12I 109.5 . . ?
H12G C127 H12H 109.5 . . ?
H12G C127 H12I 109.5 . . ?
H12H C127 H12I 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C67 C2 H2A 109.5 . . ?
C67 C2 H2B 109.5 . . ?
C67 C2 H2C 109.5 . . ?
C55 C129 H12J 109.5 . . ?
C55 C129 H12K 109.5 . . ?
C55 C129 H12L 109.5 . . ?
H12J C129 H12K 109.5 . . ?
H12J C129 H12L 109.5 . . ?
H12K C129 H12L 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C19 C65 H65A 109.5 . . ?
C19 C65 H65B 109.5 . . ?
C19 C65 H65C 109.5 . . ?
C33 C131 Rh7 72.4(3) . . ?
C33 C131 C81 119.8(8) . . ?
C135 C131 Rh7 69.5(3) . . ?
C135 C131 C33 108.0 . . ?
C135 C131 C81 132.1(8) . . ?
C81 C131 Rh7 120.8(8) . . ?
C131 C33 Rh7 69.0(3) . . ?
C131 C33 C133 108.0 . . ?
C131 C33 C143 128.1(8) . . ?
C133 C33 Rh7 71.1(3) . . ?
C133 C33 C143 123.8(8) . . ?
C143 C33 Rh7 122.8(8) . . ?
C33 C133 Rh7 70.7(3) . . ?
C33 C133 C67 108.0 . . ?
C33 C133 C71 126.0(7) . . ?
C67 C133 Rh7 69.1(3) . . ?
C67 C133 C71 126.0(7) . . ?
C71 C133 Rh7 128.2(8) . . ?
C2 C67 Rh7 127.5(7) . . ?
C133 C67 Rh7 72.3(3) . . ?
C133 C67 C2 127.4(7) . . ?
C135 C67 Rh7 69.2(3) . . ?
C135 C67 C2 124.5(7) . . ?
C135 C67 C133 108.0 . . ?
C131 C135 Rh7 71.2(3) . . ?
C131 C135 C67 108.0 . . ?
C131 C135 C5 132.3(8) . . ?
C67 C135 Rh7 71.6(3) . . ?
C67 C135 C5 119.5(8) . . ?
C5 C135 Rh7 126.2(9) . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C153 C17 H17A 109.5 . . ?
C153 C17 H17B 109.5 . . ?
C153 C17 H17C 109.5 . . ?
C113 C137 H13A 109.5 . . ?
C113 C137 H13B 109.5 . . ?
C113 C137 H13C 109.5 . . ?
H13A C137 H13B 109.5 . . ?
H13A C137 H13C 109.5 . . ?
H13B C137 H13C 109.5 . . ?
C101 C69 H69A 109.5 . . ?
C101 C69 H69B 109.5 . . ?
C101 C69 H69C 109.5 . . ?
H69A C69 H69B 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C13 C139 H13D 109.5 . . ?
C13 C139 H13E 109.5 . . ?
C13 C139 H13F 109.5 . . ?
H13D C139 H13E 109.5 . . ?
H13D C139 H13F 109.5 . . ?
H13E C139 H13F 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C151 C35 H35A 109.5 . . ?
C151 C35 H35B 109.5 . . ?
C151 C35 H35C 109.5 . . ?
C120 C141 H14A 109.5 . . ?
C120 C141 H14B 109.5 . . ?
C120 C141 H14C 109.5 . . ?
H14A C141 H14B 109.5 . . ?
H14A C141 H14C 109.5 . . ?
H14B C141 H14C 109.5 . . ?
C133 C71 H71A 109.5 . . ?
C133 C71 H71B 109.5 . . ?
C133 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C33 C143 H14D 109.5 . . ?
C33 C143 H14E 109.5 . . ?
C33 C143 H14F 109.5 . . ?
H14D C143 H14E 109.5 . . ?
H14D C143 H14F 109.5 . . ?
H14E C143 H14F 109.5 . . ?
C53 C9 H9A 109.5 . . ?
C53 C9 H9B 109.5 . . ?
C53 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C73 C145 Rh2 68.9(3) . . ?
C73 C145 C149 108.0 . . ?
C73 C145 C165 124.2(8) . . ?
C149 C145 Rh2 69.0(3) . . ?
C149 C145 C165 126.6(8) . . ?
C165 C145 Rh2 117.7(8) . . ?
C145 C73 Rh2 73.6(3) . . ?
C145 C73 C41 126.3(8) . . ?
C147 C73 Rh2 66.7(3) . . ?
C147 C73 C145 108.0 . . ?
C147 C73 C41 125.3(8) . . ?
C41 C73 Rh2 119.4(8) . . ?
C73 C147 Rh2 74.4(4) . . ?
C73 C147 C83 127.1(8) . . ?
C37 C147 Rh2 70.1(3) . . ?
C37 C147 C73 108.0 . . ?
C37 C147 C83 124.9(8) . . ?
C83 C147 Rh2 120.0(8) . . ?
C147 C37 Rh2 69.9(3) . . ?
C147 C37 C79 129.8(8) . . ?
C149 C37 Rh2 74.5(4) . . ?
C149 C37 C147 108.0 . . ?
C149 C37 C79 122.2(8) . . ?
C79 C37 Rh2 119.8(8) . . ?
C145 C149 Rh2 73.5(3) . . ?
C145 C149 C155 133.1(8) . . ?
C37 C149 Rh2 66.7(3) . . ?
C37 C149 C145 108.0 . . ?
C37 C149 C155 118.9(8) . . ?
C155 C149 Rh2 125.0(7) . . ?
C151 C75 Rh5 73.6(3) . . ?
C151 C75 C85 126.5(8) . . ?
C77 C75 Rh5 66.6(4) . . ?
C77 C75 C151 108.0 . . ?
C77 C75 C85 125.1(8) . . ?
C85 C75 Rh5 119.7(8) . . ?
C35 C151 Rh5 121.6(8) . . ?
C75 C151 Rh5 68.1(3) . . ?
C75 C151 C35 123.2(8) . . ?
C19 C151 Rh5 69.3(3) . . ?
C19 C151 C35 128.2(8) . . ?
C19 C151 C75 108.0 . . ?
C65 C19 Rh5 123.8(7) . . ?
C151 C19 Rh5 72.6(4) . . ?
C151 C19 C65 126.8(7) . . ?
C153 C19 Rh5 66.5(3) . . ?
C153 C19 C65 125.2(7) . . ?
C153 C19 C151 108.0 . . ?
C17 C153 Rh5 124.9(8) . . ?
C19 C153 Rh5 74.2(4) . . ?
C19 C153 C17 124.7(7) . . ?
C19 C153 C77 108.0 . . ?
C77 C153 Rh5 68.9(4) . . ?
C77 C153 C17 127.2(7) . . ?
C75 C77 Rh5 73.5(4) . . ?
C75 C77 C153 108.0 . . ?
C75 C77 C171 122.5(8) . . ?
C153 C77 Rh5 70.4(4) . . ?
C153 C77 C171 129.0(8) . . ?
C171 C77 Rh5 128.1(8) . . ?
C149 C155 H15A 109.5 . . ?
C149 C155 H15B 109.5 . . ?
C149 C155 H15C 109.5 . . ?
H15A C155 H15B 109.5 . . ?
H15A C155 H15C 109.5 . . ?
H15B C155 H15C 109.5 . . ?
C57 C39 H39A 109.5 . . ?
C57 C39 H39B 109.5 . . ?
C57 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C25 C157 H15G 109.5 . . ?
C25 C157 H15H 109.5 . . ?
C25 C157 H15I 109.5 . . ?
H15G C157 H15H 109.5 . . ?
H15G C157 H15I 109.5 . . ?
H15H C157 H15I 109.5 . . ?
C37 C79 H79A 109.5 . . ?
C37 C79 H79B 109.5 . . ?
C37 C79 H79C 109.5 . . ?
H79A C79 H79B 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C118 C159 H15D 109.5 . . ?
C118 C159 H15E 109.5 . . ?
C118 C159 H15F 109.5 . . ?
H15D C159 H15E 109.5 . . ?
H15D C159 H15F 109.5 . . ?
H15E C159 H15F 109.5 . . ?
C135 C5 H5A 109.5 . . ?
C135 C5 H5B 109.5 . . ?
C135 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C51 C161 H16J 109.5 . . ?
C51 C161 H16K 109.5 . . ?
C51 C161 H16L 109.5 . . ?
H16J C161 H16K 109.5 . . ?
H16J C161 H16L 109.5 . . ?
H16K C161 H16L 109.5 . . ?
C131 C81 H81A 109.5 . . ?
C131 C81 H81B 109.5 . . ?
C131 C81 H81C 109.5 . . ?
H81A C81 H81B 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C116 C163 H16A 109.5 . . ?
C116 C163 H16B 109.5 . . ?
C116 C163 H16C 109.5 . . ?
H16A C163 H16B 109.5 . . ?
H16A C163 H16C 109.5 . . ?
H16B C163 H16C 109.5 . . ?
C73 C41 H41A 109.5 . . ?
C73 C41 H41B 109.5 . . ?
C73 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C145 C165 H16D 109.5 . . ?
C145 C165 H16E 109.5 . . ?
C145 C165 H16F 109.5 . . ?
H16D C165 H16E 109.5 . . ?
H16D C165 H16F 109.5 . . ?
H16E C165 H16F 109.5 . . ?
C147 C83 H83A 109.5 . . ?
C147 C83 H83B 109.5 . . ?
C147 C83 H83C 109.5 . . ?
H83A C83 H83B 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C122 C167 H16G 109.5 . . ?
C122 C167 H16H 109.5 . . ?
C122 C167 H16I 109.5 . . ?
H16G C167 H16H 109.5 . . ?
H16G C167 H16I 109.5 . . ?
H16H C167 H16I 109.5 . . ?
C124 C21 H21A 109.5 . . ?
C124 C21 H21B 109.5 . . ?
C124 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Rh3 O9 Rh3 94.0(6) . 3_855 ?
C43 O9 Rh3 122.1(10) . 3_855 ?
C43 O9 Rh3 131.2(11) . . ?
Rh3 O19 Rh3 95.0(6) . 3_855 ?
C173 O19 Rh3 123.5(9) . 3_855 ?
C173 O19 Rh3 137.3(11) . . ?
C103 C169 H16M 109.5 . . ?
C103 C169 H16N 109.5 . . ?
C103 C169 H16O 109.5 . . ?
H16M C169 H16N 109.5 . . ?
H16M C169 H16O 109.5 . . ?
H16N C169 H16O 109.5 . . ?
C75 C85 H85A 109.5 . . ?
C75 C85 H85B 109.5 . . ?
C75 C85 H85C 109.5 . . ?
H85A C85 H85B 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C77 C171 H17D 109.5 . . ?
C77 C171 H17E 109.5 . . ?
C77 C171 H17F 109.5 . . ?
H17D C171 H17E 109.5 . . ?
H17D C171 H17F 109.5 . . ?
H17E C171 H17F 109.5 . . ?
O9 C43 H43A 109.5 . . ?
O9 C43 H43B 109.5 . . ?
O9 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
O19 C173 H17G 109.5 . . ?
O19 C173 H17H 109.5 . . ?
O19 C173 H17I 109.5 . . ?
H17G C173 H17H 109.5 . . ?
H17G C173 H17I 109.5 . . ?
H17H C173 H17I 109.5 . . ?

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
Rh1 O1 C52 N1 0.3(9) . . . . ?
Rh1 O1 C52 C96 -177.8(5) . . . . ?
Rh1 O4 N1 C12 172.6(6) . . . . ?
Rh1 O4 N1 C52 -4.4(8) . . . . ?
Rh1 N4 C1 C4 -179.5(4) . . . . ?
Rh1 N4 C10 C8 179.5(4) . . . . ?
Rh1 C116 C118 C120 -61.7(3) . . . . ?
Rh1 C116 C118 C159 125.1(9) . . . . ?
Rh1 C116 C124 C122 61.7(3) . . . . ?
Rh1 C116 C124 C21 -114.0(8) . . . . ?
Rh1 C118 C120 C122 -60.6(3) . . . . ?
Rh1 C118 C120 C141 121.0(8) . . . . ?
Rh1 C120 C122 C124 -59.8(3) . . . . ?
Rh1 C120 C122 C167 117.5(8) . . . . ?
Rh1 C122 C124 C116 -60.5(3) . . . . ?
Rh1 C122 C124 C21 115.0(9) . . . . ?
Rh4 O10 N6 C14 -176.5(5) . . . . ?
Rh4 O10 N6 C66 1.2(8) . . . . ?
Rh4 O16 C66 N6 -2.4(10) . . . . ?
Rh4 O16 C66 C80 175.9(6) . . . . ?
Rh4 N12 C16 C18 -176.9(4) . . . . ?
Rh4 N12 C24 C22 176.9(4) . . . . ?
Rh4 C113 C57 C115 60.7(3) . . . . ?
Rh4 C113 C57 C39 -113.6(9) . . . . ?
Rh4 C113 C117 C29 -60.9(3) . . . . ?
Rh4 C113 C117 C123 121.5(9) . . . . ?
Rh4 C57 C115 C29 60.6(3) . . . . ?
Rh4 C57 C115 C63 -117.2(9) . . . . ?
Rh4 C115 C29 C117 60.6(3) . . . . ?
Rh4 C115 C29 C61 -122.7(8) . . . . ?
Rh4 C29 C117 C113 60.8(3) . . . . ?
Rh4 C29 C117 C123 -121.7(9) . . . . ?
Rh6 O20 N10 C62 -170.7(6) . . . . ?
Rh6 O20 N10 C110 12.2(9) . . . . ?
Rh6 O5 C110 N10 -9.8(11) . . . . ?
Rh6 O5 C110 C64 166.9(7) . . . . ?
Rh6 N5 C49 C136 177.1(7) . . . . ?
Rh6 N5 C119 C59 -177.3(9) . . . . ?
Rh6 C25 C101 C51 -62.8(3) . . . . ?
Rh6 C25 C101 C69 123.2(9) . . . . ?
Rh6 C25 C13 C103 59.3(3) . . . . ?
Rh6 C25 C13 C139 -108.9(8) . . . . ?
Rh6 C101 C51 C103 -63.7(3) . . . . ?
Rh6 C101 C51 C161 117.6(9) . . . . ?
Rh6 C51 C103 C13 -60.7(3) . . . . ?
Rh6 C51 C103 C169 121.0(10) . . . . ?
Rh6 C103 C13 C25 -58.1(3) . . . . ?
Rh6 C103 C13 C139 108.9(9) . . . . ?
Rh7 O8 C58 N8 -5.1(11) . . . . ?
Rh7 O8 C58 C106 172.5(7) . . . . ?
Rh7 O14 N8 C58 4.0(9) . . . . ?
Rh7 O14 N8 C140 -173.5(7) . . . . ?
Rh7 N2 C32 C34 177.8(4) 3_855 . . . ?
Rh7 N2 C40 C38 -177.7(4) 3_855 . . . ?
Rh7 C131 C33 C133 -60.6(3) . . . . ?
Rh7 C131 C33 C143 115.9(10) . . . . ?
Rh7 C131 C135 C67 62.5(3) . . . . ?
Rh7 C131 C135 C5 -122.4(13) . . . . ?
Rh7 C33 C133 C67 -59.3(3) . . . . ?
Rh7 C33 C133 C71 123.8(10) . . . . ?
Rh7 C133 C67 C2 124.1(10) . . . . ?
Rh7 C133 C67 C135 -60.3(3) . . . . ?
Rh7 C67 C135 C131 -62.3(3) . . . . ?
Rh7 C67 C135 C5 121.8(10) . . . . ?
Rh2 O3 C134 N3 7.1(11) 3_855 . . . ?
Rh2 O3 C134 C166 -172.4(7) 3_855 . . . ?
Rh2 N9 C42 C44 173.5(4) . . . . ?
Rh2 N9 C50 C48 -173.5(4) . . . . ?
Rh2 C145 C73 C147 58.1(3) . . . . ?
Rh2 C145 C73 C41 -114.8(10) . . . . ?
Rh2 C145 C149 C37 -58.0(3) . . . . ?
Rh2 C145 C149 C155 122.8(10) . . . . ?
Rh2 C73 C147 C37 62.5(3) . . . . ?
Rh2 C73 C147 C83 -116.1(10) . . . . ?
Rh2 C147 C37 C149 65.3(4) . . . . ?
Rh2 C147 C37 C79 -112.5(10) . . . . ?
Rh2 C37 C149 C145 62.3(3) . . . . ?
Rh2 C37 C149 C155 -118.3(8) . . . . ?
Rh5 O11 C54 N7 -4.1(13) . . . . ?
Rh5 O11 C54 C84 178.5(5) . . . . ?
Rh5 N11 C45 C111 168.2(8) 3_855 . . . ?
Rh5 N11 C15 C97 -172.5(8) 3_855 . . . ?
Rh5 C75 C151 C35 114.3(10) . . . . ?
Rh5 C75 C151 C19 -57.9(3) . . . . ?
Rh5 C75 C77 C153 62.3(3) . . . . ?
Rh5 C75 C77 C171 -125.1(10) . . . . ?
Rh5 C151 C19 C65 119.6(10) . . . . ?
Rh5 C151 C19 C153 -57.2(3) . . . . ?
Rh5 C19 C153 C17 121.8(10) . . . . ?
Rh5 C19 C153 C77 -61.0(3) . . . . ?
Rh5 C153 C77 C75 -64.4(4) . . . . ?
Rh5 C153 C77 C171 123.7(11) . . . . ?
Rh3 C53 C107 C27 -62.4(3) . . . . ?
Rh3 C53 C107 C125 118.3(9) . . . . ?
Rh3 C53 C55 C109 56.3(3) . . . . ?
Rh3 C53 C55 C129 -127.5(11) . . . . ?
Rh3 C107 C27 C109 -66.7(4) . . . . ?
Rh3 C107 C27 C31 108.1(11) . . . . ?
Rh3 C27 C109 C55 -62.5(4) . . . . ?
Rh3 C27 C109 C127 122.5(11) . . . . ?
Rh3 C109 C55 C53 -56.3(3) . . . . ?
Rh3 C109 C55 C129 127.3(11) . . . . ?
O1 C52 C96 C94 -5.9(9) . . . . ?
O1 C52 C96 C98 171.9(5) . . . . ?
O4 N1 C12 O18 2.9(12) . . . . ?
O4 N1 C12 C168 -176.8(7) . . . . ?
O4 N1 C52 O1 2.9(11) . . . . ?
O4 N1 C52 C96 -179.1(6) . . . . ?
O6 C14 C90 C88 -179.4(7) . . . . ?
O6 C14 C90 C92 -0.9(11) . . . . ?
O8 C58 C106 C60 -176.6(9) . . . . ?
O8 C58 C106 C114 0.9(14) . . . . ?
O10 N6 C14 O6 -2.7(12) . . . . ?
O10 N6 C14 C90 177.5(6) . . . . ?
O10 N6 C66 O16 0.8(11) . . . . ?
O10 N6 C66 C80 -177.6(6) . . . . ?
O14 N8 C58 O8 0.8(13) . . . . ?
O14 N8 C58 C106 -176.9(7) . . . . ?
O14 N8 C140 C108 176.0(8) . . . . ?
O14 N8 C140 O17 -2.8(14) . . . . ?
N1 C12 C168 C98 -2.3(12) . . . . ?
N1 C12 C168 C162 175.6(8) . . . . ?
N1 C52 C96 C94 176.0(5) . . . . ?
N1 C52 C96 C98 -6.1(9) . . . . ?
O16 C66 C80 C88 -178.3(7) . . . . ?
O16 C66 C80 C132 7.0(13) . . . . ?
O18 C12 C168 C98 178.0(8) . . . . ?
O18 C12 C168 C162 -4.1(15) . . . . ?
O20 N10 C62 O12 -1.0(12) . . . . ?
O20 N10 C62 C26 177.0(7) . . . . ?
O20 N10 C110 O5 -1.5(13) . . . . ?
O20 N10 C110 C64 -178.4(8) . . . . ?
N4 C1 C4 C6 0.0 . . . . ?
C1 N4 C10 C8 0.0 . . . . ?
C1 C4 C6 C8 0.0 . . . . ?
C1 C4 C6 C121 -178.9(8) . . . . ?
C4 C6 C8 C10 0.0 . . . . ?
C4 C6 C121 C105 103(7) . . . . ?
C6 C8 C10 N4 0.0 . . . . ?
C8 C6 C121 C105 -76(7) . . . . ?
C10 N4 C1 C4 0.0 . . . . ?
N6 C14 C90 C88 0.4(9) . . . . ?
N6 C14 C90 C92 179.0(5) . . . . ?
N6 C66 C80 C88 0.0(11) . . . . ?
N6 C66 C80 C132 -174.6(7) . . . . ?
O11 C54 C84 C82 2.5(10) . . . . ?
O11 C54 C84 C86 -177.2(6) . . . . ?
O3 C134 C166 C100 180.0(8) . . . . ?
O3 C134 C166 C164 -1.5(14) . . . . ?
C12 N1 C52 O1 -173.9(7) . . . . ?
C12 N1 C52 C96 4.1(12) . . . . ?
C14 N6 C66 O16 178.3(7) . . . . ?
C14 N6 C66 C80 -0.2(12) . . . . ?
C14 C90 C92 C82 -178.6(6) . . . . ?
N8 C58 C106 C60 1.1(13) . . . . ?
N8 C58 C106 C114 178.6(8) . . . . ?
N12 C16 C18 C20 0.0 . . . . ?
C16 N12 C24 C22 0.0 . . . . ?
C16 C18 C20 C22 0.0 . . . . ?
C16 C18 C20 C89 177.2(7) . . . . ?
C18 C20 C22 C24 0.0 . . . . ?
C20 C22 C24 N12 0.0 . . . . ?
C24 N12 C16 C18 0.0 . . . . ?
N3 C134 C166 C100 0.4(12) . . . . ?
N3 C134 C166 C164 179.0(9) . . . . ?
C26 C28 C60 C106 -0.5(13) . . . . ?
C26 C28 C60 C108 179.0(8) . . . . ?
C26 C28 C64 C110 2.8(14) . . . . ?
C26 C28 C64 C138 -179.2(8) . . . . ?
C26 C30 C114 C106 1.1(14) . . . . ?
C28 C26 C30 C114 -1.3(13) . . . . ?
C28 C26 C62 O12 -176.5(9) . . . . ?
C28 C26 C62 N10 5.6(12) . . . . ?
C28 C60 C106 C58 177.8(8) . . . . ?
C28 C60 C106 C114 0.3(13) . . . . ?
C28 C60 C108 C140 -178.6(9) . . . . ?
C28 C60 C108 C160 -2.4(14) . . . . ?
C28 C64 C110 O5 -179.6(9) . . . . ?
C28 C64 C110 N10 -2.8(14) . . . . ?
C28 C64 C138 C160 3.2(15) . . . . ?
C30 C26 C28 C60 1.0(13) . . . . ?
C30 C26 C28 C64 177.3(8) . . . . ?
C30 C26 C62 O12 2.0(15) . . . . ?
C30 C26 C62 N10 -176.0(8) . . . . ?
N7 C54 C84 C82 -175.1(7) . . . . ?
N7 C54 C84 C86 5.2(11) . . . . ?
N2 C32 C34 C36 0.0 . . . . ?
C32 N2 C40 C38 0.0 . . . . ?
C32 C34 C36 C38 0.0 . . . . ?
C32 C34 C36 C126 176.9(7) . . . . ?
C34 C36 C38 C40 0.0 . . . . ?
C36 C38 C40 N2 0.0 . . . . ?
C40 N2 C32 C34 0.0 . . . . ?
N9 C42 C44 C46 0.0 . . . . ?
C42 N9 C50 C48 0.0 . . . . ?
C42 C44 C46 C48 0.0 . . . . ?
C42 C44 C46 C91 -177.6(7) . . . . ?
C44 C46 C48 C50 0.0 . . . . ?
C46 C48 C50 N9 0.0 . . . . ?
C50 N9 C42 C44 0.0 . . . . ?
C52 N1 C12 O18 179.7(8) . . . . ?
C52 N1 C12 C168 0.0(12) . . . . ?
C52 C96 C98 C100 -177.9(5) . . . . ?
C52 C96 C98 C168 4.0(7) . . . . ?
C54 N7 O15 Rh5 -1.3(10) . . . . ?
C54 N7 C11 O13 -178.9(10) . . . . ?
C54 N7 C11 C112 5.8(16) . . . . ?
C54 C84 C86 C88 179.7(6) . . . . ?
C54 C84 C86 C112 -4.0(7) . . . . ?
O15 N7 C54 O11 3.8(15) . . . . ?
O15 N7 C54 C84 -178.8(6) . . . . ?
O15 N7 C11 O13 -6.5(15) . . . . ?
O15 N7 C11 C112 178.2(8) . . . . ?
C56 C74 C76 C78 176.6(6) . . . . ?
C58 N8 C140 C108 -1.3(14) . . . . ?
C58 N8 C140 O17 179.8(9) . . . . ?
C58 C106 C114 C30 -178.1(8) . . . . ?
C60 C28 C64 C110 179.1(9) . . . . ?
C60 C28 C64 C138 -2.9(13) . . . . ?
C60 C106 C114 C30 -0.6(13) . . . . ?
C60 C108 C140 N8 0.6(14) . . . . ?
C60 C108 C140 O17 179.4(10) . . . . ?
C60 C108 C160 C138 2.6(15) . . . . ?
C62 N10 C110 O5 -178.4(8) . . . . ?
C62 N10 C110 C64 4.7(14) . . . . ?
C62 C26 C28 C60 179.5(8) . . . . ?
C62 C26 C28 C64 -4.2(13) . . . . ?
C62 C26 C30 C114 -179.8(8) . . . . ?
O2 N3 C128 O7 10.3(15) . . . . ?
O2 N3 C128 C102 -176.2(6) . . . . ?
O2 N3 C134 O3 -4.1(13) . . . . ?
O2 N3 C134 C166 175.4(7) . . . . ?
C64 C28 C60 C106 -176.9(8) . . . . ?
C64 C28 C60 C108 2.6(13) . . . . ?
C64 C138 C160 C108 -3.1(16) . . . . ?
C66 N6 C14 O6 179.8(8) . . . . ?
C66 N6 C14 C90 0.0(12) . . . . ?
C66 C80 C88 C86 -178.8(6) . . . . ?
C66 C80 C88 C90 0.3(9) . . . . ?
C66 C80 C132 C23 178.0(8) . . . . ?
C68 C70 C72 C74 0.0 . . . . ?
C70 C68 C78 C76 0.0 . . . . ?
C70 C72 C74 C56 -176.6(6) . . . . ?
C70 C72 C74 C76 0.0 . . . . ?
C72 C74 C76 C78 0.0 . . . . ?
C74 C76 C78 C68 0.0 . . . . ?
C78 C68 C70 C72 0.0 . . . . ?
C80 C88 C90 C14 -0.5(7) . . . . ?
C80 C88 C90 C92 -179.1(6) . . . . ?
C80 C132 C23 C112 -0.8(13) . . . . ?
C82 C84 C86 C88 0.0 . . . . ?
C82 C84 C86 C112 176.3(6) . . . . ?
C84 C82 C92 C90 0.0 . . . . ?
C84 C86 C88 C80 179.1(6) . . . . ?
C84 C86 C88 C90 0.0 . . . . ?
C84 C86 C112 C11 3.4(9) . . . . ?
C84 C86 C112 C23 -176.8(6) . . . . ?
C86 C88 C90 C14 178.6(6) . . . . ?
C86 C88 C90 C92 0.0 . . . . ?
C86 C112 C11 O13 -179.4(8) . . . . ?
C86 C112 C11 N7 -3.9(13) . . . . ?
C86 C112 C23 C132 -0.5(12) . . . . ?
C88 C80 C132 C23 3.1(12) . . . . ?
C88 C86 C112 C11 179.8(6) . . . . ?
C88 C86 C112 C23 -0.4(9) . . . . ?
C88 C90 C92 C82 0.0 . . . . ?
C92 C82 C84 C54 -179.6(6) . . . . ?
C92 C82 C84 C86 0.0 . . . . ?
C94 C96 C98 C100 0.0 . . . . ?
C94 C96 C98 C168 -178.1(6) . . . . ?
C96 C94 C104 C102 0.0 . . . . ?
C96 C98 C100 C102 0.0 . . . . ?
C96 C98 C100 C166 176.0(6) . . . . ?
C96 C98 C168 C12 0.2(10) . . . . ?
C96 C98 C168 C162 -177.7(6) . . . . ?
C98 C100 C102 C104 0.0 . . . . ?
C98 C100 C102 C128 175.9(6) . . . . ?
C98 C100 C166 C134 -176.7(6) . . . . ?
C98 C100 C166 C164 4.8(11) . . . . ?
C100 C98 C168 C12 -178.0(6) . . . . ?
C100 C98 C168 C162 4.2(10) . . . . ?
C100 C102 C104 C94 0.0 . . . . ?
C100 C102 C128 N3 1.1(9) . . . . ?
C100 C102 C128 O7 175.0(8) . . . . ?
C102 C100 C166 C134 -0.8(10) . . . . ?
C102 C100 C166 C164 -179.3(7) . . . . ?
C104 C94 C96 C52 177.9(6) . . . . ?
C104 C94 C96 C98 0.0 . . . . ?
C104 C102 C128 N3 177.0(5) . . . . ?
C104 C102 C128 O7 -9.0(12) . . . . ?
N11 C45 C111 C170 3.8(17) . . . . ?
C106 C60 C108 C140 0.9(14) . . . . ?
C106 C60 C108 C160 177.1(9) . . . . ?
C108 C60 C106 C58 -1.7(14) . . . . ?
C108 C60 C106 C114 -179.2(8) . . . . ?
C110 N10 C62 O12 175.9(8) . . . . ?
C110 N10 C62 C26 -6.0(13) . . . . ?
C110 C64 C138 C160 -178.9(10) . . . . ?
C112 C86 C88 C80 2.8(7) . . . . ?
C112 C86 C88 C90 -176.3(6) . . . . ?
C116 C118 C120 Rh1 60.6(3) . . . . ?
C116 C118 C120 C122 0.0 . . . . ?
C116 C118 C120 C141 -178.4(9) . . . . ?
C118 C116 C124 Rh1 -61.7(3) . . . . ?
C118 C116 C124 C122 0.0 . . . . ?
C118 C116 C124 C21 -175.6(9) . . . . ?
C118 C120 C122 Rh1 59.8(3) . . . . ?
C118 C120 C122 C124 0.0 . . . . ?
C118 C120 C122 C167 177.4(9) . . . . ?
C120 C122 C124 Rh1 60.5(3) . . . . ?
C120 C122 C124 C116 0.0 . . . . ?
C120 C122 C124 C21 175.5(9) . . . . ?
C124 C116 C118 Rh1 61.7(3) . . . . ?
C124 C116 C118 C120 0.0 . . . . ?
C124 C116 C118 C159 -173.2(10) . . . . ?
C126 C36 C38 C40 -177.0(6) . . . . ?
C128 N3 O2 Rh2 174.4(6) . . . 3_855 ?
C128 N3 C134 O3 -178.6(9) . . . . ?
C128 N3 C134 C166 0.9(15) . . . . ?
C128 C102 C104 C94 -176.1(6) . . . . ?
C130 C87 C3 C142 8.4(18) . . . . ?
C130 C99 C7 C142 3.4(17) . . . . ?
C132 C80 C88 C86 -4.0(9) . . . . ?
C132 C80 C88 C90 175.1(6) . . . . ?
C134 N3 O2 Rh2 -1.2(9) . . . 3_855 ?
C134 N3 C128 O7 -175.1(11) . . . . ?
C134 N3 C128 C102 -1.6(14) . . . . ?
C136 C158 C59 C119 1.8(17) . . . . ?
C138 C64 C110 O5 2.6(16) . . . . ?
C138 C64 C110 N10 179.3(9) . . . . ?
C140 N8 C58 O8 178.2(9) . . . . ?
C140 N8 C58 C106 0.5(13) . . . . ?
C140 C108 C160 C138 178.8(9) . . . . ?
C144 C146 C148 C150 0.0 . . . . ?
C146 C144 C154 C152 0.0 . . . . ?
C146 C148 C150 C152 0.0 . . . . ?
C146 C148 C150 C105 174.9(9) . . . . ?
C148 C150 C152 C154 0.0 . . . . ?
C150 C152 C154 C144 0.0 . . . . ?
C154 C144 C146 C148 0.0 . . . . ?
C156 C142 C3 C87 178.6(10) . . . . ?
C156 C142 C7 C99 175.6(10) . . . . ?
C158 C136 C49 N5 0.0(15) . . . . ?
C158 C59 C119 N5 0.6(18) . . . . ?
C160 C108 C140 N8 -175.5(9) . . . . ?
C160 C108 C140 O17 3.2(17) . . . . ?
C162 C164 C166 C100 -1.9(15) . . . . ?
C162 C164 C166 C134 179.6(8) . . . . ?
C164 C162 C168 C12 -179.2(8) . . . . ?
C164 C162 C168 C98 -1.2(13) . . . . ?
C166 C100 C102 C104 -175.9(6) . . . . ?
C166 C100 C102 C128 0.0(7) . . . . ?
C168 C98 C100 C102 178.1(6) . . . . ?
C168 C98 C100 C166 -5.9(7) . . . . ?
C168 C162 C164 C166 0.1(15) . . . . ?
C170 C97 C15 N11 4.4(19) . . . . ?
C172 C144 C146 C148 179.9(8) . . . . ?
C172 C144 C154 C152 -179.9(8) . . . . ?
C174 C158 C59 C119 -177.8(10) . . . . ?
C87 C130 C99 C7 3.3(16) . . . . ?
C11 N7 C54 O11 176.4(9) . . . . ?
C11 N7 C54 C84 -6.2(15) . . . . ?
C11 N7 O15 Rh5 -174.5(7) . . . . ?
C11 C112 C23 C132 179.2(8) . . . . ?
C89 C20 C22 C24 -177.2(7) . . . . ?
C45 N11 C15 C97 -4.6(17) . . . . ?
C91 C46 C48 C50 177.6(7) . . . . ?
C23 C112 C11 O13 0.8(15) . . . . ?
C23 C112 C11 N7 176.3(9) . . . . ?
C93 C68 C70 C72 178.6(6) . . . . ?
C93 C68 C78 C76 -178.6(6) . . . . ?
C47 C130 C87 C3 172.2(10) . . . . ?
C47 C130 C99 C7 -178.0(10) . . . . ?
C95 C170 C97 C15 178.9(11) . . . . ?
C95 C170 C111 C45 177.0(10) . . . . ?
C3 C142 C7 C99 -4.4(18) . . . . ?
C97 C170 C111 C45 -3.9(17) . . . . ?
C49 N5 C119 C59 -2.7(17) . . . . ?
C49 C136 C158 C174 177.5(9) . . . . ?
C49 C136 C158 C59 -2.1(16) . . . . ?
C99 C130 C87 C3 -9.3(17) . . . . ?
C25 C101 C51 Rh6 63.7(3) . . . . ?
C25 C101 C51 C103 0.0 . . . . ?
C25 C101 C51 C161 -178.7(10) . . . . ?
C101 C25 C13 Rh6 -59.3(3) . . . . ?
C101 C25 C13 C103 0.0 . . . . ?
C101 C25 C13 C139 -168.2(9) . . . . ?
C101 C51 C103 Rh6 60.7(3) . . . . ?
C101 C51 C103 C13 0.0 . . . . ?
C101 C51 C103 C169 -178.3(11) . . . . ?
C51 C103 C13 Rh6 58.1(3) . . . . ?
C51 C103 C13 C25 0.0 . . . . ?
C51 C103 C13 C139 167.1(10) . . . . ?
C13 C25 C101 Rh6 62.8(3) . . . . ?
C13 C25 C101 C51 0.0 . . . . ?
C13 C25 C101 C69 -174.1(10) . . . . ?
C105 C150 C152 C154 -175.1(8) . . . . ?
C53 C107 C27 Rh3 66.7(4) . . . . ?
C53 C107 C27 C109 0.0 . . . . ?
C53 C107 C27 C31 174.7(12) . . . . ?
C107 C53 C55 Rh3 -56.3(3) . . . . ?
C107 C53 C55 C109 0.0 . . . . ?
C107 C53 C55 C129 176.3(12) . . . . ?
C107 C27 C109 Rh3 62.5(4) . . . . ?
C107 C27 C109 C55 0.0 . . . . ?
C107 C27 C109 C127 -175.1(11) . . . . ?
C27 C109 C55 Rh3 56.3(3) . . . . ?
C27 C109 C55 C53 0.0 . . . . ?
C27 C109 C55 C129 -176.4(12) . . . . ?
C55 C53 C107 Rh3 62.4(3) . . . . ?
C55 C53 C107 C27 0.0 . . . . ?
C55 C53 C107 C125 -179.2(9) . . . . ?
C111 C170 C97 C15 0.0(19) . . . . ?
C7 C142 C3 C87 -1.4(18) . . . . ?
C113 C57 C115 Rh4 -60.6(3) . . . . ?
C113 C57 C115 C29 0.0 . . . . ?
C113 C57 C115 C63 -177.8(10) . . . . ?
C57 C113 C117 Rh4 60.9(3) . . . . ?
C57 C113 C117 C29 0.0 . . . . ?
C57 C113 C117 C123 -177.6(10) . . . . ?
C57 C115 C29 Rh4 -60.6(3) . . . . ?
C57 C115 C29 C117 0.0 . . . . ?
C57 C115 C29 C61 176.7(9) . . . . ?
C115 C29 C117 Rh4 -60.8(3) . . . . ?
C115 C29 C117 C113 0.0 . . . . ?
C115 C29 C117 C123 177.6(10) . . . . ?
C117 C113 C57 Rh4 -60.7(3) . . . . ?
C117 C113 C57 C115 0.0 . . . . ?
C117 C113 C57 C39 -174.4(10) . . . . ?
C119 N5 C49 C136 2.3(14) . . . . ?
C15 N11 C45 C111 0.7(17) . . . . ?
C121 C6 C8 C10 178.9(7) . . . . ?
C61 C29 C117 Rh4 122.8(9) . . . . ?
C61 C29 C117 C113 -176.4(10) . . . . ?
C61 C29 C117 C123 1.2(12) . . . . ?
C31 C27 C109 Rh3 -113.2(9) . . . . ?
C31 C27 C109 C55 -175.7(10) . . . . ?
C31 C27 C109 C127 9.3(13) . . . . ?
C125 C107 C27 Rh3 -114.3(11) . . . . ?
C125 C107 C27 C109 179.0(12) . . . . ?
C125 C107 C27 C31 -6.2(15) . . . . ?
C63 C115 C29 Rh4 117.3(8) . . . . ?
C63 C115 C29 C117 177.9(9) . . . . ?
C63 C115 C29 C61 -5.4(11) . . . . ?
C127 C109 C55 Rh3 -128.0(9) . . . . ?
C127 C109 C55 C53 175.7(10) . . . . ?
C127 C109 C55 C129 -0.7(13) . . . . ?
C2 C67 C135 Rh7 -122.0(9) . . . . ?
C2 C67 C135 C131 175.7(10) . . . . ?
C2 C67 C135 C5 -0.1(13) . . . . ?
C65 C19 C153 Rh5 -115.9(9) . . . . ?
C65 C19 C153 C17 6.0(13) . . . . ?
C65 C19 C153 C77 -176.8(11) . . . . ?
C131 C33 C133 Rh7 59.3(3) . . . . ?
C131 C33 C133 C67 0.0 . . . . ?
C131 C33 C133 C71 -176.9(11) . . . . ?
C33 C131 C135 Rh7 -62.5(3) . . . . ?
C33 C131 C135 C67 0.0 . . . . ?
C33 C131 C135 C5 175.1(14) . . . . ?
C33 C133 C67 Rh7 60.3(3) . . . . ?
C33 C133 C67 C2 -175.6(11) . . . . ?
C33 C133 C67 C135 0.0 . . . . ?
C133 C67 C135 Rh7 62.3(3) . . . . ?
C133 C67 C135 C131 0.0 . . . . ?
C133 C67 C135 C5 -175.8(11) . . . . ?
C135 C131 C33 Rh7 60.6(3) . . . . ?
C135 C131 C33 C133 0.0 . . . . ?
C135 C131 C33 C143 176.6(12) . . . . ?
C17 C153 C77 Rh5 -118.5(10) . . . . ?
C17 C153 C77 C75 177.1(11) . . . . ?
C17 C153 C77 C171 5.1(15) . . . . ?
C137 C113 C57 Rh4 118.8(9) . . . . ?
C137 C113 C57 C115 179.5(10) . . . . ?
C137 C113 C57 C39 5.1(12) . . . . ?
C137 C113 C117 Rh4 -118.6(9) . . . . ?
C137 C113 C117 C29 -179.5(10) . . . . ?
C137 C113 C117 C123 2.9(12) . . . . ?
C69 C101 C51 Rh6 -122.4(10) . . . . ?
C69 C101 C51 C103 173.9(11) . . . . ?
C69 C101 C51 C161 -4.8(13) . . . . ?
C35 C151 C19 Rh5 -114.6(11) . . . . ?
C35 C151 C19 C65 5.0(14) . . . . ?
C35 C151 C19 C153 -171.8(12) . . . . ?
C141 C120 C122 Rh1 -121.8(8) . . . . ?
C141 C120 C122 C124 178.3(9) . . . . ?
C141 C120 C122 C167 -4.3(11) . . . . ?
C71 C133 C67 Rh7 -122.8(10) . . . . ?
C71 C133 C67 C2 1.3(14) . . . . ?
C71 C133 C67 C135 176.9(11) . . . . ?
C143 C33 C133 Rh7 -117.4(10) . . . . ?
C143 C33 C133 C67 -176.7(11) . . . . ?
C143 C33 C133 C71 6.4(14) . . . . ?
C9 C53 C107 Rh3 -123.5(11) . . . . ?
C9 C53 C107 C27 174.1(12) . . . . ?
C9 C53 C107 C125 -5.1(14) . . . . ?
C9 C53 C55 Rh3 128.8(9) . . . . ?
C9 C53 C55 C109 -174.9(10) . . . . ?
C9 C53 C55 C129 1.3(14) . . . . ?
C145 C73 C147 Rh2 -62.5(3) . . . . ?
C145 C73 C147 C37 0.0 . . . . ?
C145 C73 C147 C83 -178.6(11) . . . . ?
C73 C145 C149 Rh2 58.0(3) . . . . ?
C73 C145 C149 C37 0.0 . . . . ?
C73 C145 C149 C155 -179.3(11) . . . . ?
C73 C147 C37 Rh2 -65.3(4) . . . . ?
C73 C147 C37 C149 0.0 . . . . ?
C73 C147 C37 C79 -177.8(11) . . . . ?
C147 C37 C149 Rh2 -62.3(3) . . . . ?
C147 C37 C149 C145 0.0 . . . . ?
C147 C37 C149 C155 179.4(9) . . . . ?
C149 C145 C73 Rh2 -58.1(3) . . . . ?
C149 C145 C73 C147 0.0 . . . . ?
C149 C145 C73 C41 -172.8(11) . . . . ?
C75 C151 C19 Rh5 57.2(3) . . . . ?
C75 C151 C19 C65 176.8(11) . . . . ?
C75 C151 C19 C153 0.0 . . . . ?
C151 C75 C77 Rh5 -62.3(3) . . . . ?
C151 C75 C77 C153 0.0 . . . . ?
C151 C75 C77 C171 172.6(11) . . . . ?
C151 C19 C153 Rh5 61.0(3) . . . . ?
C151 C19 C153 C17 -177.2(11) . . . . ?
C151 C19 C153 C77 0.0 . . . . ?
C19 C153 C77 Rh5 64.4(4) . . . . ?
C19 C153 C77 C75 0.0 . . . . ?
C19 C153 C77 C171 -172.0(12) . . . . ?
C77 C75 C151 Rh5 57.9(3) . . . . ?
C77 C75 C151 C35 172.3(11) . . . . ?
C77 C75 C151 C19 0.0 . . . . ?
C39 C57 C115 Rh4 114.0(9) . . . . ?
C39 C57 C115 C29 174.6(10) . . . . ?
C39 C57 C115 C63 -3.2(12) . . . . ?
C157 C25 C101 Rh6 -124.4(9) . . . . ?
C157 C25 C101 C51 172.8(10) . . . . ?
C157 C25 C101 C69 -1.3(13) . . . . ?
C157 C25 C13 Rh6 127.7(9) . . . . ?
C157 C25 C13 C103 -172.9(10) . . . . ?
C157 C25 C13 C139 18.9(12) . . . . ?
C79 C37 C149 Rh2 115.7(9) . . . . ?
C79 C37 C149 C145 178.0(10) . . . . ?
C79 C37 C149 C155 -2.6(12) . . . . ?
C159 C118 C120 Rh1 -125.9(9) . . . . ?
C159 C118 C120 C122 173.5(10) . . . . ?
C159 C118 C120 C141 -4.9(12) . . . . ?
C161 C51 C103 Rh6 -120.6(10) . . . . ?
C161 C51 C103 C13 178.7(11) . . . . ?
C161 C51 C103 C169 0.4(14) . . . . ?
C81 C131 C33 Rh7 -116.0(10) . . . . ?
C81 C131 C33 C133 -176.6(11) . . . . ?
C81 C131 C33 C143 -0.1(14) . . . . ?
C81 C131 C135 Rh7 113.5(11) . . . . ?
C81 C131 C135 C67 176.0(12) . . . . ?
C81 C131 C135 C5 -8.9(17) . . . . ?
C163 C116 C118 Rh1 -120.8(9) . . . . ?
C163 C116 C118 C120 177.5(10) . . . . ?
C163 C116 C118 C159 4.4(13) . . . . ?
C163 C116 C124 Rh1 120.8(9) . . . . ?
C163 C116 C124 C122 -177.5(10) . . . . ?
C163 C116 C124 C21 6.8(12) . . . . ?
C41 C73 C147 Rh2 110.5(10) . . . . ?
C41 C73 C147 C37 172.9(10) . . . . ?
C41 C73 C147 C83 -5.7(14) . . . . ?
C165 C145 C73 Rh2 109.8(10) . . . . ?
C165 C145 C73 C147 167.9(11) . . . . ?
C165 C145 C73 C41 -5.0(13) . . . . ?
C165 C145 C149 Rh2 -109.6(10) . . . . ?
C165 C145 C149 C37 -167.5(11) . . . . ?
C165 C145 C149 C155 13.2(14) . . . . ?
C83 C147 C37 Rh2 113.4(10) . . . . ?
C83 C147 C37 C149 178.6(11) . . . . ?
C83 C147 C37 C79 0.8(13) . . . . ?
C167 C122 C124 Rh1 -116.3(10) . . . . ?
C167 C122 C124 C116 -176.7(11) . . . . ?
C167 C122 C124 C21 -1.2(13) . . . . ?
C169 C103 C13 Rh6 -123.7(11) . . . . ?
C169 C103 C13 C25 178.2(12) . . . . ?
C169 C103 C13 C139 -14.8(14) . . . . ?
C85 C75 C151 Rh5 -115.1(11) . . . . ?
C85 C75 C151 C35 -0.8(14) . . . . ?
C85 C75 C151 C19 -173.0(12) . . . . ?
C85 C75 C77 Rh5 110.8(10) . . . . ?
C85 C75 C77 C153 173.1(12) . . . . ?
C85 C75 C77 C171 -14.3(14) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 2548 electrons were 
found in a volume of 14290Å³ in 1 void per unit cell. 
This is consistent with the presence of 
9[CF3SO3] per Asymmetric Unit 
which account for 2628 electrons 
per unit cell.
;
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 -0.556 -0.508 -0.241 14289.6 2547.7 '36 CF3SO3'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
