# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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 2302402'
loop_
_audit_author_name
_audit_author_address
'Zhongshu Li'
;Lehn Institute of Functional Materials (LIFM), School of Chemistry, Sun Yat Sen University
China
;
_audit_update_record             
;
2023-10-20 deposited with the CCDC.	2024-02-21 downloaded from the CCDC.
;
_audit_creation_date             2023-09-20
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C51 H36 Cl O3 P4 Rh, C51 H37 Cl O3 P4 Rh'
_chemical_formula_sum            'C102 H73 Cl2 O6 P8 Rh2'
_chemical_formula_weight         1919.08
_chemical_absolute_configuration ad
_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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 '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'
P P 0.2955 0.4335 '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'

_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      tetragonal
_space_group_IT_number           76
_space_group_name_H-M_alt        'P 41'
_space_group_name_Hall           'P 4w'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x, z+1/4'
'-x, -y, z+1/2'
'y, -x, z+3/4'

_cell_length_a                   19.27277(12)
_cell_length_b                   19.27277(12)
_cell_length_c                   49.9982(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     18571.3(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    80139
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      73.9920
_cell_measurement_theta_min      2.4920
_shelx_estimated_absorpt_T_max   0.578
_shelx_estimated_absorpt_T_min   0.494
_exptl_absorpt_coefficient_mu    5.133
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.77466
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.28b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear reddish red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   reddish
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.373
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             7816
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0663
_diffrn_reflns_av_unetI/netI     0.0501
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       61
_diffrn_reflns_limit_l_min       -62
_diffrn_reflns_number            193095
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.410
_diffrn_reflns_theta_min         2.457
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -29.00  16.00   0.50    5.68    --    0.00 -19.00  90.00   90
  2  ω    -13.00  26.00   0.50    5.68    --    0.00  57.00  60.00   78
  3  ω    -65.00  22.00   0.50    5.68    --    0.00 -57.00 -90.00  174
  4  ω    -88.00 -33.00   0.50    5.68    --    0.00 -19.00  90.00  110
  5  ω    -58.00 -27.00   0.50    5.68    --    0.00 -38.00-180.00   62
  6  ω    -19.00  57.00   0.50    5.68    --    0.00  57.00  90.00  152
  7  ω      7.00 112.00   0.50   22.73    --   95.20 -15.00  90.00  210
  8  ω     21.00  46.00   0.50   22.73    --   95.20 -61.00-120.00   50
  9  ω     81.00 107.00   0.50   22.73    --   95.20 -82.00   0.00   52
 10  ω      9.00 127.00   0.50   22.73    --   95.20 -82.00  90.00  236
 11  ω     70.00 113.00   0.50   22.73    --   95.20 -61.00 -60.00   86
 12  ω     50.00  76.00   0.50   22.73    --   95.20 -61.00-120.00   52
 13  ω     33.00 111.00   0.50   22.73    --   95.20 -61.00  90.00  156
 14  ω     18.00 101.00   0.50   22.73    --   95.20 -45.00 -60.00  166
 15  ω    126.00 185.00   0.50   22.73    --   95.20  30.00  90.00  118
 16  ω     79.00 118.00   0.50   22.73    --   95.20  30.00  90.00   78
 17  ω     59.00 126.00   0.50   22.73    --   95.20 -82.00-180.00  134
 18  ω     25.00 114.00   0.50   22.73    --   95.20 -82.00 -30.00  178
 19  ω     93.00 167.00   0.50   22.73    --   95.20  45.00  30.00  148
 20  ω     15.00 112.00   0.50   22.73    --   95.20 -82.00-120.00  194
 21  ω     40.00 103.00   0.50   22.73    --   95.20 -30.00  90.00  126
 22  ω     77.00 102.00   0.50   22.73    --   95.20 -82.00 -90.00   50
 23  ω     76.00 155.00   0.50   22.73    --   95.20  77.00  60.00  158
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa dual home/near'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0760032000
_diffrn_orient_matrix_UB_12      0.0238644000
_diffrn_orient_matrix_UB_13      -0.0026648000
_diffrn_orient_matrix_UB_21      -0.0096646000
_diffrn_orient_matrix_UB_22      -0.0078574000
_diffrn_orient_matrix_UB_23      0.0304529000
_diffrn_orient_matrix_UB_31      0.0229482000
_diffrn_orient_matrix_UB_32      0.0758220000
_diffrn_orient_matrix_UB_33      0.0038956000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.977
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.990
_reflns_number_gt                29629
_reflns_number_total             37011
_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 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.28b (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  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS  (Sheldrick, 2008)'
_refine_diff_density_max         1.833
_refine_diff_density_min         -1.448
_refine_diff_density_rms         0.120
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.501(17)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.122
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1991
_refine_ls_number_reflns         37011
_refine_ls_number_restraints     5474
_refine_ls_R_factor_all          0.1049
_refine_ls_R_factor_gt           0.0812
_refine_ls_restrained_S_all      1.112
_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)+(0.0934P)²+75.6858P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2162
_refine_ls_wR_factor_ref         0.2287
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.499(17)
 0.501(17)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
3. Restrained distances
 C1HA-C25
 1.5 with sigma of 0.005
 C109-C25
 1.5 with sigma of 0.005
4. Uiso/Uaniso restraints and constraints
C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6 \\sim C7 \\sim C8 \\sim C8HA
\\sim C9HA \\sim C6LA \\sim C9MA \\sim C0IA \\sim C8IA \\sim C9 \\sim C10 \\sim
C11 \\sim C12 \\sim C13 \\sim C14 \\sim C15 \\sim C66 \\sim C65 \\sim C64 \\sim
C63 \\sim C62 \\sim C61 \\sim C67 \\sim C72 \\sim C71 \\sim C70 \\sim C69 \\sim
C68 \\sim C76 \\sim C75 \\sim C74 \\sim C73 \\sim C78 \\sim C77 \\sim C79 \\sim
C80 \\sim C81 \\sim C82 \\sim C83 \\sim C84 \\sim C86 \\sim C87 \\sim C88 \\sim
C89 \\sim C90 \\sim C85 \\sim C16 \\sim C17 \\sim C18 \\sim C19 \\sim C20 \\sim
C21 \\sim C22 \\sim C23 \\sim C24 \\sim C25 \\sim C26 \\sim C27 \\sim C28 \\sim
C29 \\sim C30 \\sim C91 \\sim C92 \\sim C93 \\sim C94 \\sim C95 \\sim C96 \\sim
C97 \\sim C98 \\sim C99 \\sim C100 \\sim C101 \\sim C102 \\sim C104 \\sim C103
\\sim C108 \\sim C107 \\sim C106 \\sim C105 \\sim C120 \\sim C119 \\sim C118
\\sim C117 \\sim C116 \\sim C115 \\sim C121 \\sim C122 \\sim C123 \\sim C124
\\sim C125 \\sim C126 \\sim C7JA \\sim C9KA \\sim C1HA \\sim C5KA \\sim C8KA
\\sim C4AA \\sim C114 \\sim C113 \\sim C112 \\sim C111 \\sim C110 \\sim C109
\\sim C31 \\sim C32 \\sim C33 \\sim C34 \\sim C35 \\sim C36 \\sim C37 \\sim C38
\\sim C39 \\sim C40 \\sim C41 \\sim C42 \\sim C43 \\sim C44 \\sim C45 \\sim
C127 \\sim C128 \\sim C129 \\sim C130 \\sim C131 \\sim C132 \\sim C137 \\sim
C138 \\sim C133 \\sim C134 \\sim C135 \\sim C136 \\sim C143 \\sim C144 \\sim
C139 \\sim C140 \\sim C141 \\sim C142 \\sim C145 \\sim C146 \\sim C147 \\sim
C148 \\sim C149 \\sim C150 \\sim C151 \\sim C152 \\sim C153 \\sim C154 \\sim
C155 \\sim C156 \\sim C157 \\sim C203 \\sim C202 \\sim C201 \\sim C200 \\sim
C199 \\sim C158 \\sim C159 \\sim C160 \\sim C161 \\sim C162 \\sim C0AA \\sim
C1AA \\sim C46 \\sim C47 \\sim C48 \\sim C49 \\sim C50 \\sim C51 \\sim C52
\\sim C53 \\sim C54 \\sim C55 \\sim C56 \\sim C57 \\sim C58 \\sim C59 \\sim C60
\\sim C167 \\sim C166 \\sim C165 \\sim C164 \\sim C163 \\sim C168 \\sim C170
\\sim C169 \\sim C174 \\sim C173 \\sim C172 \\sim C171 \\sim C176 \\sim C177
\\sim C178 \\sim C179 \\sim C180 \\sim C175 \\sim C181 \\sim C182 \\sim C183
\\sim C184 \\sim C185 \\sim C186 \\sim C187 \\sim C188 \\sim C189 \\sim C190
\\sim C191 \\sim C192 \\sim C193 \\sim C196 \\sim C197 \\sim C198: within 3.8A
with sigma of 0.005 and sigma for terminal atoms of 0.01 within 3.8A
Uanis(Rh3) \\sim Ueq, Uanis(Rh4) \\sim Ueq: with sigma of 0.0005 and sigma for
terminal atoms of 0.001
Uanis(C56) \\sim Ueq: with sigma of 0.05 and sigma for terminal atoms of 0.05
Uanis(C15) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C109) \\sim Ueq, Uanis(C114) \\sim Ueq, Uanis(C113) \\sim Ueq,
Uanis(C112) \\sim Ueq, Uanis(C111) \\sim Ueq, Uanis(C110) \\sim Ueq,
Uanis(C106) \\sim Ueq, Uanis(C75) \\sim Ueq, Uanis(C76) \\sim Ueq, Uanis(C167)
\\sim Ueq, Uanis(C196) \\sim Ueq, Uanis(C1AA) \\sim Ueq, Uanis(C87) \\sim Ueq,
Uanis(C172) \\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(C25) \\sim Ueq: with sigma of
0.005 and sigma for terminal atoms of 0.01
Uanis(C7JA) \\sim Ueq, Uanis(C9KA) \\sim Ueq, Uanis(C1HA) \\sim Ueq,
Uanis(C4AA) \\sim Ueq, Uanis(C8KA) \\sim Ueq, Uanis(C5KA) \\sim Ueq: with sigma
of 0.005 and sigma for terminal atoms of 0.01
Uanis(C112) = Uanis(C113) = Uanis(C114) = Uanis(C109) = Uanis(C110) =
Uanis(C111)
Uanis(C157) = Uanis(C158) = Uanis(C159) = Uanis(C160) = Uanis(C161) =
Uanis(C162)
Uanis(C157) = Uanis(C203) = Uanis(C200) = Uanis(C201) = Uanis(C199) =
Uanis(C202)
5. Others
 Sof(C158)=Sof(H158)=Sof(C159)=Sof(H159)=Sof(C160)=Sof(H160)=Sof(C161)=
 Sof(H161)=Sof(C162)=Sof(H162)=1-FVAR(1)
 Sof(C203)=Sof(H203)=Sof(C202)=Sof(H202)=Sof(C201)=Sof(H201)=Sof(C200)=
 Sof(H200)=Sof(C199)=Sof(H199)=FVAR(1)
 Fixed Sof: C7JA(0.75) H7JA(0.75) C9KA(0.75) H9KA(0.75) C1HA(0.75) C5KA(0.75)
 H5KA(0.75) C8KA(0.75) H8KA(0.75) C4AA(0.75) H4AA(0.75) C114(0.25) H114(0.25)
 C113(0.25) H113(0.25) C112(0.25) H112(0.25) C111(0.25) H111(0.25) C110(0.25)
 H110(0.25) C109(0.25)
 Fixed Z: Rh4(0.0536)
6.a Secondary CH2 refined with riding coordinates:
 C34(H34A,H34B), C54(H54A,H54B)
6.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C7(H7), C8HA(H8HA), C9HA(H9HA), C6LA(H6LA), C0IA(H0IA),
 C8IA(H8IA), C9(H9), C12(H12), C14(H14), C66(H66), C65(H65), C64(H64), C63(H63),
  C62(H62), C72(H72), C71(H71), C70(H70), C69(H69), C68(H68), C76(H76),
 C75(H75), C74(H74), C78(H78), C77(H77), C80(H80), C81(H81), C82(H82), C83(H83),
  C84(H84), C86(H86), C87(H87), C88(H88), C89(H89), C90(H90), C17(H17),
 C19(H19), C22(H22), C24(H24), C27(H27), C29(H29), C92(H92), C93(H93), C94(H94),
  C95(H95), C96(H96), C98(H98), C99(H99), C100(H100), C101(H101), C102(H102),
 C104(H104), C108(H108), C107(H107), C106(H106), C105(H105), C120(H120),
 C119(H119), C118(H118), C117(H117), C116(H116), C122(H122), C123(H123),
 C124(H124), C125(H125), C126(H126), C7JA(H7JA), C9KA(H9KA), C5KA(H5KA),
 C8KA(H8KA), C4AA(H4AA), C114(H114), C113(H113), C112(H112), C111(H111),
 C110(H110), C32(H32), C37(H37), C39(H39), C42(H42), C44(H44), C127(H127),
 C128(H128), C129(H129), C130(H130), C131(H131), C137(H137), C138(H138),
 C134(H134), C135(H135), C136(H136), C143(H143), C144(H144), C140(H140),
 C141(H141), C142(H142), C146(H146), C147(H147), C148(H148), C149(H149),
 C150(H150), C152(H152), C153(H153), C154(H154), C155(H155), C156(H156),
 C203(H203), C202(H202), C201(H201), C200(H200), C199(H199), C158(H158),
 C159(H159), C160(H160), C161(H161), C162(H162), C0AA(H0AA), C1AA(H1AA),
 C47(H47), C49(H49), C52(H52), C57(H57), C59(H59), C167(H167), C166(H166),
 C165(H165), C164(H164), C168(H168), C170(H170), C174(H174), C173(H173),
 C172(H172), C171(H171), C176(H176), C177(H177), C178(H178), C179(H179),
 C180(H180), C181(H181), C182(H182), C183(H183), C184(H184), C185(H185),
 C188(H188), C189(H189), C190(H190), C191(H191), C192(H192), C196(H196),
 C197(H197), C198(H198)
6.c Fitted hexagon refined as free rotating group:
 C8HA(C9HA,C6LA,C9MA,C0IA,C8IA), C66(C65,C64,C63,C62,C61), C67(C72,C71,C70,C69,
 C68), C76(C75,C74,C73,C78,C77), C86(C87,C88,C89,C90,C85), C104(C103,C108,C107,
 C106,C105), C120(C119,C118,C117,C116,C115), C7JA(C9KA,C1HA,C5KA,C8KA,C4AA),
 C114(C113,C112,C111,C110,C109), C137(C138,C133,C134,C135,C136), C143(C144,C139,
 C140,C141,C142), C157(C203,C202,C201,C200,C199), C167(C166,C165,C164,C163,
 C168), C170(C169,C174,C173,C172,C171), C176(C177,C178,C179,C180,C175)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.75262(6) 0.04886(5) 0.13906(2) 0.0377(3) Uani 1 1 d . . . . .
Cl1 Cl 0.7136(2) -0.04125(19) 0.11018(10) 0.0556(11) Uani 1 1 d . . . . .
P1 P 0.78482(18) 0.1306(2) 0.16494(8) 0.0329(8) Uani 1 1 d . . . . .
P2 P 0.7923(2) 0.12601(18) 0.10694(8) 0.0325(8) Uani 1 1 d . . . . .
P3 P 0.83417(19) -0.0122(2) 0.16401(9) 0.0379(9) Uani 1 1 d . . . . .
P4 P 0.6460(2) 0.0774(2) 0.15638(10) 0.0415(9) Uani 1 1 d . . . . .
O1 O 0.8192(5) 0.1980(5) 0.1515(2) 0.035(2) Uani 1 1 d . . . . .
O2 O 0.7270(5) 0.1646(6) 0.1847(2) 0.040(2) Uani 1 1 d . . . . .
O3 O 0.8439(5) 0.1152(5) 0.1863(2) 0.041(2) Uani 1 1 d . . . . .
C1 C 0.8254(7) 0.1983(7) 0.1231(3) 0.0343(16) Uani 1 1 d . U . . .
C2 C 0.8556(7) 0.2543(7) 0.1119(3) 0.0346(15) Uani 1 1 d . U . . .
H2 H 0.8704 0.2911 0.1232 0.042 Uiso 1 1 calc R U . . .
C3 C 0.8658(7) 0.2605(7) 0.0848(3) 0.0362(14) Uani 1 1 d . U . . .
C4 C 0.8401(7) 0.2111(7) 0.0668(3) 0.0367(13) Uani 1 1 d . U . . .
H4 H 0.8466 0.2207 0.0483 0.044 Uiso 1 1 calc R U . . .
C5 C 0.8058(8) 0.1487(7) 0.0731(3) 0.0387(14) Uani 1 1 d . U . . .
C6 C 0.5575(8) 0.0761(8) 0.1539(3) 0.0469(15) Uani 1 1 d . U . . .
C7 C 0.5147(8) 0.1205(8) 0.1675(3) 0.0472(15) Uani 1 1 d . U . . .
H7 H 0.4666 0.1166 0.1638 0.057 Uiso 1 1 calc R U . . .
C8 C 0.5344(8) 0.1722(8) 0.1867(3) 0.0470(15) Uani 1 1 d . U . . .
C8HA C 0.9651(5) 0.4375(4) 0.04967(19) 0.0438(15) Uani 1 1 d G U . . .
H8HA H 0.9870 0.4766 0.0418 0.053 Uiso 1 1 calc R U . . .
C9HA C 0.9149(5) 0.4469(4) 0.0693(2) 0.0429(13) Uani 1 1 d G U . . .
H9HA H 0.9026 0.4925 0.0748 0.051 Uiso 1 1 calc R U . . .
C6LA C 0.8829(5) 0.3898(5) 0.08091(18) 0.0401(12) Uani 1 1 d G U . . .
H6LA H 0.8486 0.3962 0.0943 0.048 Uiso 1 1 calc R U . . .
C9MA C 0.9010(5) 0.3231(4) 0.0729(2) 0.0383(14) Uani 1 1 d G U . . .
C0IA C 0.9511(5) 0.3137(4) 0.0532(2) 0.0412(15) Uani 1 1 d G U . . .
H0IA H 0.9635 0.2682 0.0477 0.049 Uiso 1 1 calc R U . . .
C8IA C 0.9832(5) 0.3709(5) 0.04163(18) 0.0442(16) Uani 1 1 d G U . . .
H8IA H 1.0175 0.3644 0.0282 0.053 Uiso 1 1 calc R U . . .
C9 C 0.6051(7) 0.1834(8) 0.1908(3) 0.0451(16) Uani 1 1 d . U . . .
H9 H 0.6176 0.2195 0.2028 0.054 Uiso 1 1 calc R U . . .
C10 C 0.6586(7) 0.1467(8) 0.1790(3) 0.0419(19) Uani 1 1 d . U . . .
C11 C 0.8805(8) -0.0892(8) 0.1704(3) 0.0463(15) Uani 1 1 d . U . . .
C12 C 0.9327(8) -0.0884(8) 0.1893(3) 0.0470(15) Uani 1 1 d . U . . .
H12 H 0.9559 -0.1314 0.1920 0.056 Uiso 1 1 calc R U . . .
C13 C 0.9567(8) -0.0326(8) 0.2054(3) 0.0459(15) Uani 1 1 d . U . . .
C14 C 0.9250(7) 0.0321(8) 0.2033(3) 0.0428(16) Uani 1 1 d . U . . .
H14 H 0.9408 0.0691 0.2143 0.051 Uiso 1 1 calc R U . . .
C15 C 0.8719(7) 0.0435(8) 0.1859(3) 0.0409(17) Uani 1 1 d . U . . .
C66 C 0.7763(5) 0.0322(5) 0.05601(17) 0.0468(16) Uani 1 1 d G U . . .
H66 H 0.7971 0.0121 0.0714 0.056 Uiso 1 1 calc R U . . .
C65 C 0.7436(5) -0.0098(3) 0.0373(2) 0.0490(16) Uani 1 1 d G U . . .
H65 H 0.7421 -0.0586 0.0398 0.059 Uiso 1 1 calc R U . . .
C64 C 0.7133(5) 0.0196(4) 0.01473(18) 0.0501(16) Uani 1 1 d G U . . .
H64 H 0.6909 -0.0091 0.0019 0.060 Uiso 1 1 calc R U . . .
C63 C 0.7155(5) 0.0910(5) 0.01096(17) 0.0495(15) Uani 1 1 d G U . . .
H63 H 0.6948 0.1111 -0.0044 0.059 Uiso 1 1 calc R U . . .
C62 C 0.7482(5) 0.1330(3) 0.0297(2) 0.0449(15) Uani 1 1 d G U . . .
H62 H 0.7498 0.1819 0.0271 0.054 Uiso 1 1 calc R U . . .
C61 C 0.7786(5) 0.1036(4) 0.05224(18) 0.0427(15) Uani 1 1 d G U . . .
C67 C 0.4807(4) 0.2145(5) 0.2011(2) 0.0486(15) Uani 1 1 d G U . . .
C72 C 0.4994(4) 0.2730(5) 0.2156(2) 0.0507(16) Uani 1 1 d G U . . .
H72 H 0.5461 0.2888 0.2154 0.061 Uiso 1 1 calc R U . . .
C71 C 0.4498(5) 0.3084(5) 0.2305(2) 0.0537(17) Uani 1 1 d G U . . .
H71 H 0.4626 0.3484 0.2405 0.064 Uiso 1 1 calc R U . . .
C70 C 0.3815(5) 0.2853(5) 0.2308(2) 0.0544(19) Uani 1 1 d G U . . .
H70 H 0.3476 0.3095 0.2410 0.065 Uiso 1 1 calc R U . . .
C69 C 0.3628(4) 0.2268(6) 0.2163(2) 0.0549(18) Uani 1 1 d G U . . .
H69 H 0.3161 0.2110 0.2165 0.066 Uiso 1 1 calc R U . . .
C68 C 0.4124(5) 0.1914(5) 0.2014(2) 0.0515(16) Uani 1 1 d G U . . .
H68 H 0.3996 0.1514 0.1914 0.062 Uiso 1 1 calc R U . . .
C76 C 0.4628(5) -0.0799(4) 0.10643(19) 0.0544(17) Uani 1 1 d G U . . .
H76 H 0.4415 -0.1154 0.0961 0.065 Uiso 1 1 calc R U . . .
C75 C 0.5189(5) -0.0956(4) 0.1228(2) 0.0537(17) Uani 1 1 d G U . . .
H75 H 0.5360 -0.1417 0.1237 0.064 Uiso 1 1 calc R U . . .
C74 C 0.5500(4) -0.0436(5) 0.13793(19) 0.0524(16) Uani 1 1 d G U . . .
H74 H 0.5884 -0.0543 0.1491 0.063 Uiso 1 1 calc R U . . .
C73 C 0.5250(5) 0.0240(4) 0.1366(2) 0.0501(15) Uani 1 1 d G U . . .
C78 C 0.4689(5) 0.0396(4) 0.1203(2) 0.0502(14) Uani 1 1 d G U . . .
H78 H 0.4518 0.0858 0.1194 0.060 Uiso 1 1 calc R U . . .
C77 C 0.4378(4) -0.0124(5) 0.1051(2) 0.0525(15) Uani 1 1 d G U . . .
H77 H 0.3994 -0.0017 0.0939 0.063 Uiso 1 1 calc R U . . .
C79 C 0.8638(8) -0.1522(7) 0.1555(3) 0.0492(17) Uani 1 1 d . U . . .
C80 C 0.8401(7) -0.1475(7) 0.1292(3) 0.0488(17) Uani 1 1 d . U . . .
H80 H 0.8339 -0.1030 0.1214 0.059 Uiso 1 1 calc R U . . .
C81 C 0.8256(7) -0.2056(7) 0.1144(3) 0.0514(18) Uani 1 1 d . U . . .
H81 H 0.8101 -0.2008 0.0965 0.062 Uiso 1 1 calc R U . . .
C82 C 0.8330(8) -0.2708(7) 0.1252(3) 0.0531(19) Uani 1 1 d . U . . .
H82 H 0.8229 -0.3109 0.1149 0.064 Uiso 1 1 calc R U . . .
C83 C 0.8558(8) -0.2770(7) 0.1517(3) 0.0524(18) Uani 1 1 d . U . . .
H83 H 0.8616 -0.3217 0.1594 0.063 Uiso 1 1 calc R U . . .
C84 C 0.8699(7) -0.2182(7) 0.1667(3) 0.0514(17) Uani 1 1 d . U . . .
H84 H 0.8840 -0.2228 0.1848 0.062 Uiso 1 1 calc R U . . .
C86 C 1.0215(4) -0.0991(4) 0.2405(2) 0.0508(16) Uani 1 1 d G U . . .
H86 H 0.9851 -0.1323 0.2408 0.061 Uiso 1 1 calc R U . . .
C87 C 1.0788(5) -0.1075(4) 0.25710(19) 0.0529(18) Uani 1 1 d G U . . .
H87 H 1.0816 -0.1465 0.2687 0.064 Uiso 1 1 calc R U . . .
C88 C 1.1321(4) -0.0589(5) 0.25671(19) 0.0545(19) Uani 1 1 d G U . . .
H88 H 1.1712 -0.0646 0.2680 0.065 Uiso 1 1 calc R U . . .
C89 C 1.1280(4) -0.0019(5) 0.2398(2) 0.0527(18) Uani 1 1 d G U . . .
H89 H 1.1644 0.0314 0.2395 0.063 Uiso 1 1 calc R U . . .
C90 C 1.0707(5) 0.0065(4) 0.2232(2) 0.0484(15) Uani 1 1 d G U . . .
H90 H 1.0679 0.0455 0.2116 0.058 Uiso 1 1 calc R U . . .
C85 C 1.0175(4) -0.0421(5) 0.22358(19) 0.0477(15) Uani 1 1 d G U . . .
Rh2 Rh 0.73580(5) 0.45151(5) 0.14075(2) 0.0335(3) Uani 1 1 d . . . . .
Cl2 Cl 0.7740(2) 0.5436(2) 0.11216(11) 0.0602(12) Uani 1 1 d . . . . .
P5 P 0.70403(18) 0.3676(2) 0.16604(8) 0.0332(8) Uani 1 1 d . . . . .
P6 P 0.6970(2) 0.37576(19) 0.10800(8) 0.0329(8) Uani 1 1 d . . . . .
P7 P 0.65429(18) 0.5107(2) 0.16623(9) 0.0387(9) Uani 1 1 d . . . . .
P8 P 0.84318(19) 0.42157(19) 0.15732(8) 0.0332(8) Uani 1 1 d . . . . .
O4 O 0.6707(5) 0.3018(5) 0.15177(19) 0.033(2) Uani 1 1 d . . . . .
O5 O 0.6462(5) 0.3823(5) 0.1881(2) 0.040(2) Uani 1 1 d . . . . .
O6 O 0.7623(4) 0.3335(5) 0.1850(2) 0.036(2) Uani 1 1 d . . . . .
C16 C 0.6857(8) 0.3545(7) 0.0740(3) 0.0390(14) Uani 1 1 d . U . . .
C17 C 0.6516(8) 0.2925(7) 0.0673(3) 0.0385(13) Uani 1 1 d . U . . .
H17 H 0.6451 0.2841 0.0487 0.046 Uiso 1 1 calc R U . . .
C18 C 0.6257(8) 0.2411(7) 0.0848(3) 0.0386(14) Uani 1 1 d . U . . .
C19 C 0.6346(7) 0.2459(7) 0.1120(3) 0.0360(15) Uani 1 1 d . U . . .
H19 H 0.6190 0.2090 0.1231 0.043 Uiso 1 1 calc R U . . .
C20 C 0.6652(8) 0.3024(7) 0.1236(3) 0.0359(16) Uani 1 1 d . U . . .
C21 C 0.6164(8) 0.4544(8) 0.1882(3) 0.0464(16) Uani 1 1 d . U . . .
C22 C 0.5648(8) 0.4640(9) 0.2054(3) 0.0493(15) Uani 1 1 d . U . . .
H22 H 0.5497 0.4262 0.2161 0.059 Uiso 1 1 calc R U . . .
C23 C 0.5324(8) 0.5281(9) 0.2080(4) 0.0526(15) Uani 1 1 d . U . . .
C24 C 0.5563(9) 0.5841(9) 0.1927(4) 0.0534(13) Uani 1 1 d . U . . .
H24 H 0.5337 0.6267 0.1967 0.064 Uiso 1 1 calc R U . . .
C25 C 0.6073(8) 0.5902(6) 0.1724(3) 0.0523(13) Uani 1 1 d D U . . .
C26 C 0.8304(7) 0.3524(7) 0.1790(3) 0.0317(17) Uani 1 1 d . U . . .
C27 C 0.8841(7) 0.3119(7) 0.1906(3) 0.0346(15) Uani 1 1 d . U . . .
H27 H 0.8714 0.2747 0.2021 0.041 Uiso 1 1 calc R U . . .
C28 C 0.9551(7) 0.3238(7) 0.1860(3) 0.0368(15) Uani 1 1 d . U . . .
C29 C 0.9755(8) 0.3769(7) 0.1676(3) 0.0375(13) Uani 1 1 d . U . . .
H29 H 1.0239 0.3818 0.1643 0.045 Uiso 1 1 calc R U . . .
C30 C 0.9317(7) 0.4222(7) 0.1540(3) 0.0366(14) Uani 1 1 d . U . . .
C91 C 0.7129(7) 0.3995(6) 0.0535(3) 0.0410(15) Uani 1 1 d . U . . .
C92 C 0.7467(7) 0.3714(7) 0.0314(3) 0.0432(14) Uani 1 1 d . U . . .
H92 H 0.7472 0.3225 0.0290 0.052 Uiso 1 1 calc R U . . .
C93 C 0.7798(7) 0.4139(7) 0.0125(3) 0.0473(17) Uani 1 1 d . U . . .
H93 H 0.8017 0.3942 -0.0027 0.057 Uiso 1 1 calc R U . . .
C94 C 0.7803(7) 0.4852(7) 0.0164(3) 0.0484(17) Uani 1 1 d . U . . .
H94 H 0.8014 0.5149 0.0036 0.058 Uiso 1 1 calc R U . . .
C95 C 0.7497(7) 0.5125(7) 0.0391(3) 0.0476(16) Uani 1 1 d . U . . .
H95 H 0.7522 0.5610 0.0423 0.057 Uiso 1 1 calc R U . . .
C96 C 0.7155(7) 0.4705(7) 0.0572(3) 0.0448(14) Uani 1 1 d . U . . .
H96 H 0.6935 0.4907 0.0723 0.054 Uiso 1 1 calc R U . . .
C97 C 0.5910(7) 0.1804(7) 0.0725(3) 0.0400(14) Uani 1 1 d . U . . .
C98 C 0.5421(7) 0.1893(7) 0.0524(3) 0.0427(14) Uani 1 1 d . U . . .
H98 H 0.5316 0.2349 0.0465 0.051 Uiso 1 1 calc R U . . .
C99 C 0.5083(7) 0.1341(7) 0.0410(3) 0.0446(14) Uani 1 1 d . U . . .
H99 H 0.4728 0.1419 0.0281 0.054 Uiso 1 1 calc R U . . .
C100 C 0.5259(7) 0.0677(7) 0.0481(3) 0.0457(15) Uani 1 1 d . U . . .
H100 H 0.5042 0.0293 0.0396 0.055 Uiso 1 1 calc R U . . .
C101 C 0.5766(7) 0.0563(7) 0.0682(3) 0.0463(14) Uani 1 1 d . U . . .
H101 H 0.5895 0.0105 0.0732 0.056 Uiso 1 1 calc R U . . .
C102 C 0.6074(8) 0.1140(7) 0.0806(3) 0.0432(13) Uani 1 1 d . U . . .
H102 H 0.6398 0.1073 0.0947 0.052 Uiso 1 1 calc R U . . .
C104 C 0.4188(5) 0.4874(5) 0.2261(2) 0.0551(15) Uani 1 1 d G U . . .
H104 H 0.4211 0.4476 0.2150 0.066 Uiso 1 1 calc R U . . .
C103 C 0.4719(4) 0.5362(6) 0.2256(2) 0.0549(16) Uani 1 1 d G U . . .
C108 C 0.4685(4) 0.5944(5) 0.2419(2) 0.0575(16) Uani 1 1 d G U . . .
H108 H 0.5048 0.6278 0.2416 0.069 Uiso 1 1 calc R U . . .
C107 C 0.4119(5) 0.6039(5) 0.2588(2) 0.0601(18) Uani 1 1 d G U . . .
H107 H 0.4096 0.6437 0.2700 0.072 Uiso 1 1 calc R U . . .
C106 C 0.3588(4) 0.5552(5) 0.2593(2) 0.0600(19) Uani 1 1 d G U . . .
H106 H 0.3201 0.5617 0.2708 0.072 Uiso 1 1 calc R U . . .
C105 C 0.3622(5) 0.4969(5) 0.2430(2) 0.0577(17) Uani 1 1 d G U . . .
H105 H 0.3259 0.4636 0.2433 0.069 Uiso 1 1 calc R U . . .
C120 C 1.0221(5) 0.4608(3) 0.1211(2) 0.0426(14) Uani 1 1 d G U . . .
H120 H 1.0398 0.4148 0.1205 0.051 Uiso 1 1 calc R U . . .
C119 C 1.0534(4) 0.5127(4) 0.10596(17) 0.0422(15) Uani 1 1 d G U . . .
H119 H 1.0924 0.5021 0.0951 0.051 Uiso 1 1 calc R U . . .
C118 C 1.0275(4) 0.5800(4) 0.10676(17) 0.0446(18) Uani 1 1 d G U . . .
H118 H 1.0489 0.6154 0.0964 0.054 Uiso 1 1 calc R U . . .
C117 C 0.9704(4) 0.5954(3) 0.12266(18) 0.0433(16) Uani 1 1 d G U . . .
H117 H 0.9528 0.6414 0.1232 0.052 Uiso 1 1 calc R U . . .
C116 C 0.9392(4) 0.5436(4) 0.13777(17) 0.0417(15) Uani 1 1 d G U . . .
H116 H 0.9002 0.5542 0.1486 0.050 Uiso 1 1 calc R U . . .
C115 C 0.9650(5) 0.4763(4) 0.13698(18) 0.0410(14) Uani 1 1 d G U . . .
C121 C 1.0082(7) 0.2821(7) 0.2001(3) 0.0378(15) Uani 1 1 d . U . . .
C122 C 1.0778(7) 0.3036(7) 0.2003(3) 0.0412(15) Uani 1 1 d . U . . .
H122 H 1.0911 0.3435 0.1903 0.049 Uiso 1 1 calc R U . . .
C123 C 1.1284(7) 0.2667(7) 0.2149(3) 0.0431(18) Uani 1 1 d . U . . .
H123 H 1.1752 0.2821 0.2153 0.052 Uiso 1 1 calc R U . . .
C124 C 1.1087(7) 0.2078(7) 0.2287(3) 0.0428(18) Uani 1 1 d . U . . .
H124 H 1.1421 0.1823 0.2387 0.051 Uiso 1 1 calc R U . . .
C125 C 1.0407(7) 0.1859(7) 0.2280(3) 0.0429(16) Uani 1 1 d . U . . .
H125 H 1.0275 0.1450 0.2374 0.052 Uiso 1 1 calc R U . . .
C126 C 0.9922(7) 0.2219(7) 0.2141(3) 0.0402(15) Uani 1 1 d . U . . .
H126 H 0.9458 0.2055 0.2139 0.048 Uiso 1 1 calc R U . . .
C7JA C 0.6319(8) 0.7793(5) 0.1524(3) 0.0548(15) Uani 0.75 1 d G U P A 1
H7JA H 0.6266 0.8244 0.1598 0.066 Uiso 0.75 1 calc R U P A 1
C9KA C 0.6155(8) 0.7212(7) 0.1675(2) 0.0559(14) Uani 0.75 1 d G U P A 1
H9KA H 0.5990 0.7265 0.1853 0.067 Uiso 0.75 1 calc R U P A 1
C1HA C 0.6234(8) 0.6552(5) 0.1567(3) 0.0537(14) Uani 0.75 1 d DG U P A 1
C5KA C 0.6476(8) 0.6474(5) 0.1307(3) 0.0546(13) Uani 0.75 1 d G U P A 1
H5KA H 0.6530 0.6023 0.1233 0.065 Uiso 0.75 1 calc R U P A 1
C8KA C 0.6640(8) 0.7056(7) 0.1155(2) 0.0556(14) Uani 0.75 1 d G U P A 1
H8KA H 0.6806 0.7003 0.0977 0.067 Uiso 0.75 1 calc R U P A 1
C4AA C 0.6562(8) 0.7715(6) 0.1263(3) 0.0550(15) Uani 0.75 1 d G U P A 1
H4AA H 0.6674 0.8113 0.1160 0.066 Uiso 0.75 1 calc R U P A 1
C114 C 0.6714(19) 0.6316(11) 0.1354(8) 0.0550(9) Uani 0.25 1 d G U P A 2
H114 H 0.6744 0.5841 0.1305 0.066 Uiso 0.25 1 calc R U P A 2
C113 C 0.690(2) 0.6830(18) 0.1174(6) 0.0550(9) Uani 0.25 1 d G U P A 2
H113 H 0.7065 0.6707 0.1000 0.066 Uiso 0.25 1 calc R U P A 2
C112 C 0.686(2) 0.7525(15) 0.1246(6) 0.0550(9) Uani 0.25 1 d G U P A 2
H112 H 0.6989 0.7876 0.1123 0.066 Uiso 0.25 1 calc R U P A 2
C111 C 0.662(2) 0.7705(11) 0.1500(7) 0.0550(9) Uani 0.25 1 d G U P A 2
H111 H 0.6594 0.8180 0.1550 0.066 Uiso 0.25 1 calc R U P A 2
C110 C 0.6434(18) 0.7191(17) 0.1681(6) 0.0550(9) Uani 0.25 1 d G U P A 2
H110 H 0.6274 0.7315 0.1854 0.066 Uiso 0.25 1 calc R U P A 2
C109 C 0.6479(18) 0.6497(14) 0.1608(7) 0.0550(9) Uani 0.25 1 d DG U P A 2
Rh3 Rh 0.25454(6) 0.05143(6) 0.05142(2) 0.0391(3) Uani 1 1 d . U . . .
Cl3 Cl 0.2163(3) -0.0433(2) 0.07870(10) 0.0745(15) Uani 1 1 d . . . . .
P9 P 0.2877(2) 0.13485(18) 0.02561(8) 0.0331(8) Uani 1 1 d . . . . .
P10 P 0.2944(2) 0.1265(2) 0.08424(9) 0.0382(9) Uani 1 1 d . . . . .
P11 P 0.1487(2) 0.0815(2) 0.03391(9) 0.0381(9) Uani 1 1 d . . . . .
P12 P 0.3366(2) -0.00747(19) 0.02611(9) 0.0442(10) Uani 1 1 d . . . . .
O7 O 0.3205(6) 0.2015(5) 0.0400(2) 0.040(3) Uani 1 1 d . . . . .
O8 O 0.2291(5) 0.1690(5) 0.0074(2) 0.033(2) Uani 1 1 d . . . . .
O9 O 0.3461(5) 0.1168(5) 0.0038(2) 0.038(2) Uani 1 1 d . . . . .
C31 C 0.3068(8) 0.1482(8) 0.1172(3) 0.0418(15) Uani 1 1 d . U . . .
C32 C 0.3415(8) 0.2080(8) 0.1250(3) 0.0410(14) Uani 1 1 d . U . . .
H32 H 0.3494 0.2136 0.1437 0.049 Uiso 1 1 calc R U . . .
C33 C 0.3656(8) 0.2602(8) 0.1085(3) 0.0392(14) Uani 1 1 d . U . . .
C34 C 0.3590(8) 0.2564(7) 0.0799(3) 0.0372(15) Uani 1 1 d . U . . .
H34A H 0.3332 0.2981 0.0740 0.045 Uiso 1 1 calc R U . . .
H34B H 0.4063 0.2601 0.0723 0.045 Uiso 1 1 calc R U . . .
C35 C 0.3273(8) 0.1991(8) 0.0682(3) 0.0370(16) Uani 1 1 d . U . . .
C36 C 0.1579(8) 0.1516(7) 0.0127(3) 0.0422(18) Uani 1 1 d . U . . .
C37 C 0.1099(8) 0.1889(8) 0.0003(3) 0.0445(17) Uani 1 1 d . U . . .
H37 H 0.1236 0.2229 -0.0124 0.053 Uiso 1 1 calc R U . . .
C38 C 0.0388(8) 0.1791(8) 0.0057(3) 0.0460(16) Uani 1 1 d . U . . .
C39 C 0.0181(9) 0.1293(8) 0.0232(3) 0.0473(15) Uani 1 1 d . U . . .
H39 H -0.0306 0.1269 0.0261 0.057 Uiso 1 1 calc R U . . .
C40 C 0.0573(8) 0.0809(8) 0.0376(3) 0.0459(15) Uani 1 1 d . U . . .
C41 C 0.3745(8) 0.0541(7) 0.0042(3) 0.0438(15) Uani 1 1 d . U . . .
C42 C 0.4296(8) 0.0421(7) -0.0134(3) 0.0451(14) Uani 1 1 d . U . . .
H42 H 0.4465 0.0793 -0.0241 0.054 Uiso 1 1 calc R U . . .
C43 C 0.4605(8) -0.0236(8) -0.0158(3) 0.0487(15) Uani 1 1 d . U . . .
C44 C 0.4399(8) -0.0800(8) -0.0010(3) 0.0475(12) Uani 1 1 d . U . . .
H44 H 0.4634 -0.1226 -0.0041 0.057 Uiso 1 1 calc R U . . .
C45 C 0.3861(8) -0.0798(6) 0.0184(3) 0.0453(12) Uani 1 1 d . U . . .
C127 C 0.3819(7) 0.3889(7) 0.1130(3) 0.0432(12) Uani 1 1 d . U . . .
H127 H 0.3484 0.3960 0.0994 0.052 Uiso 1 1 calc R U . . .
C128 C 0.4107(7) 0.4455(7) 0.1254(3) 0.0452(13) Uani 1 1 d . U . . .
H128 H 0.3978 0.4908 0.1199 0.054 Uiso 1 1 calc R U . . .
C129 C 0.4575(7) 0.4374(7) 0.1456(3) 0.0454(15) Uani 1 1 d . U . . .
H129 H 0.4762 0.4767 0.1544 0.055 Uiso 1 1 calc R U . . .
C130 C 0.4775(7) 0.3716(7) 0.1528(3) 0.0459(14) Uani 1 1 d . U . . .
H130 H 0.5106 0.3657 0.1667 0.055 Uiso 1 1 calc R U . . .
C131 C 0.4496(7) 0.3128(7) 0.1400(3) 0.0434(14) Uani 1 1 d . U . . .
H131 H 0.4640 0.2675 0.1450 0.052 Uiso 1 1 calc R U . . .
C132 C 0.4004(7) 0.3223(7) 0.1198(3) 0.0399(14) Uani 1 1 d . U . . .
C137 C 0.2495(6) -0.0121(4) 0.1559(2) 0.0570(19) Uani 1 1 d G U . . .
H137 H 0.2486 -0.0610 0.1536 0.068 Uiso 1 1 calc R U . . .
C138 C 0.2753(6) 0.0302(5) 0.13570(18) 0.0511(14) Uani 1 1 d G U . . .
H138 H 0.2921 0.0102 0.1196 0.061 Uiso 1 1 calc R U . . .
C133 C 0.2767(6) 0.1018(5) 0.13908(19) 0.0476(16) Uani 1 1 d G U . . .
C134 C 0.2522(6) 0.1311(4) 0.1627(2) 0.0504(16) Uani 1 1 d G U . . .
H134 H 0.2531 0.1800 0.1650 0.060 Uiso 1 1 calc R U . . .
C135 C 0.2263(6) 0.0888(5) 0.18287(18) 0.0561(19) Uani 1 1 d G U . . .
H135 H 0.2096 0.1088 0.1990 0.067 Uiso 1 1 calc R U . . .
C136 C 0.2250(6) 0.0172(5) 0.17949(19) 0.0565(19) Uani 1 1 d G U . . .
H136 H 0.2074 -0.0117 0.1933 0.068 Uiso 1 1 calc R U . . .
C143 C -0.1345(4) 0.2302(5) -0.0246(2) 0.0550(18) Uani 1 1 d G U . . .
H143 H -0.1809 0.2137 -0.0248 0.066 Uiso 1 1 calc R U . . .
C144 C -0.0838(5) 0.1941(4) -0.0105(2) 0.0519(17) Uani 1 1 d G U . . .
H144 H -0.0956 0.1529 -0.0011 0.062 Uiso 1 1 calc R U . . .
C139 C -0.0159(5) 0.2183(5) -0.0102(2) 0.0482(16) Uani 1 1 d G U . . .
C140 C 0.0014(4) 0.2786(5) -0.0240(2) 0.0503(17) Uani 1 1 d G U . . .
H140 H 0.0478 0.2951 -0.0238 0.060 Uiso 1 1 calc R U . . .
C141 C -0.0493(5) 0.3147(4) -0.0380(2) 0.0542(18) Uani 1 1 d G U . . .
H141 H -0.0375 0.3559 -0.0474 0.065 Uiso 1 1 calc R U . . .
C142 C -0.1173(5) 0.2905(5) -0.0383(2) 0.055(2) Uani 1 1 d G U . . .
H142 H -0.1519 0.3152 -0.0479 0.066 Uiso 1 1 calc R U . . .
C145 C 0.0280(8) 0.0293(7) 0.0563(3) 0.0505(15) Uani 1 1 d . U . . .
C146 C 0.0558(8) -0.0377(7) 0.0592(3) 0.0529(16) Uani 1 1 d . U . . .
H146 H 0.0950 -0.0510 0.0489 0.063 Uiso 1 1 calc R U . . .
C147 C 0.0265(8) -0.0849(7) 0.0771(3) 0.0544(18) Uani 1 1 d . U . . .
H147 H 0.0469 -0.1294 0.0793 0.065 Uiso 1 1 calc R U . . .
C148 C -0.0310(8) -0.0680(7) 0.0916(3) 0.0550(18) Uani 1 1 d . U . . .
H148 H -0.0526 -0.1019 0.1026 0.066 Uiso 1 1 calc R U . . .
C149 C -0.0583(8) -0.0012(7) 0.0903(3) 0.0527(16) Uani 1 1 d . U . . .
H149 H -0.0957 0.0120 0.1016 0.063 Uiso 1 1 calc R U . . .
C150 C -0.0301(8) 0.0466(7) 0.0721(3) 0.0512(15) Uani 1 1 d . U . . .
H150 H -0.0505 0.0913 0.0703 0.061 Uiso 1 1 calc R U . . .
C151 C 0.5201(7) -0.0299(7) -0.0351(3) 0.0497(15) Uani 1 1 d . U . . .
C152 C 0.5749(8) 0.0165(7) -0.0330(3) 0.0507(14) Uani 1 1 d . U . . .
H152 H 0.5743 0.0510 -0.0194 0.061 Uiso 1 1 calc R U . . .
C153 C 0.6301(8) 0.0127(7) -0.0504(3) 0.0533(16) Uani 1 1 d . U . . .
H153 H 0.6671 0.0451 -0.0489 0.064 Uiso 1 1 calc R U . . .
C154 C 0.6325(8) -0.0378(7) -0.0701(3) 0.0537(18) Uani 1 1 d . U . . .
H154 H 0.6712 -0.0407 -0.0818 0.064 Uiso 1 1 calc R U . . .
C155 C 0.5788(7) -0.0833(7) -0.0725(3) 0.0531(18) Uani 1 1 d . U . . .
H155 H 0.5798 -0.1173 -0.0862 0.064 Uiso 1 1 calc R U . . .
C156 C 0.5221(7) -0.0808(7) -0.0550(3) 0.0506(15) Uani 1 1 d . U . . .
H156 H 0.4853 -0.1133 -0.0566 0.061 Uiso 1 1 calc R U . . .
C157 C 0.3687(6) -0.1476(4) 0.0339(2) 0.0465(5) Uani 1 1 d G U . . .
C203 C 0.3448(7) -0.1466(4) 0.0601(2) 0.0465(5) Uani 0.717(9) 1 d G U P B 1
H203 H 0.3384 -0.1037 0.0691 0.056 Uiso 0.717(9) 1 calc R U P B 1
C202 C 0.3305(7) -0.2086(6) 0.0733(2) 0.0465(5) Uani 0.717(9) 1 d G U P B 1
H202 H 0.3142 -0.2079 0.0912 0.056 Uiso 0.717(9) 1 calc R U P B 1
C201 C 0.3399(7) -0.2715(4) 0.0601(2) 0.0465(5) Uani 0.717(9) 1 d G U P B 1
H201 H 0.3301 -0.3138 0.0691 0.056 Uiso 0.717(9) 1 calc R U P B 1
C200 C 0.3637(7) -0.2724(4) 0.0339(2) 0.0465(5) Uani 0.717(9) 1 d G U P B 1
H200 H 0.3702 -0.3154 0.0249 0.056 Uiso 0.717(9) 1 calc R U P B 1
C199 C 0.3781(6) -0.2105(5) 0.0208(2) 0.0465(5) Uani 0.717(9) 1 d G U P B 1
H199 H 0.3944 -0.2111 0.0028 0.056 Uiso 0.717(9) 1 calc R U P B 1
C158 C 0.317(2) -0.175(2) 0.0310(10) 0.0465(5) Uani 0.283(9) 1 d . U P B 2
H158 H 0.2790 -0.1519 0.0228 0.056 Uiso 0.283(9) 1 calc R U P B 2
C159 C 0.311(3) -0.243(2) 0.0400(9) 0.0465(5) Uani 0.283(9) 1 d . U P B 2
H159 H 0.2673 -0.2649 0.0395 0.056 Uiso 0.283(9) 1 calc R U P B 2
C160 C 0.369(2) -0.281(2) 0.0498(10) 0.0465(5) Uani 0.283(9) 1 d . U P B 2
H160 H 0.3642 -0.3254 0.0581 0.056 Uiso 0.283(9) 1 calc R U P B 2
C161 C 0.432(2) -0.251(2) 0.0467(10) 0.0465(5) Uani 0.283(9) 1 d . U P B 2
H161 H 0.4733 -0.2759 0.0514 0.056 Uiso 0.283(9) 1 calc R U P B 2
C162 C 0.436(2) -0.184(2) 0.0366(10) 0.0465(5) Uani 0.283(9) 1 d . U P B 2
H162 H 0.4789 -0.1636 0.0318 0.056 Uiso 0.283(9) 1 calc R U P B 2
Rh4 Rh 0.23846(6) 0.45373(5) 0.0536 0.0357(3) Uani 1 1 d . U . . .
Cl4 Cl 0.2775(3) 0.5454(2) 0.08222(10) 0.0549(11) Uani 1 1 d . . . . .
P13 P 0.2059(2) 0.37233(18) 0.02698(8) 0.0330(8) Uani 1 1 d . . . . .
P14 P 0.1575(2) 0.51519(19) 0.02842(9) 0.0380(9) Uani 1 1 d . . . . .
P15 P 0.1971(2) 0.37637(19) 0.08553(8) 0.0336(8) Uani 1 1 d . . . . .
P16 P 0.3446(2) 0.4258(2) 0.03611(9) 0.0385(9) Uani 1 1 d . . . . .
O10 O 0.1493(5) 0.3913(5) 0.0047(2) 0.035(2) Uani 1 1 d . . . . .
O11 O 0.1743(6) 0.3044(5) 0.0404(2) 0.043(3) Uani 1 1 d . . . . .
O12 O 0.2645(5) 0.3388(5) 0.0087(2) 0.038(2) Uani 1 1 d . . . . .
C0AA C 0.4382(7) 0.5447(7) 0.0618(3) 0.0474(15) Uani 1 1 d . U . . .
H0AA H 0.3980 0.5578 0.0520 0.057 Uiso 1 1 calc R U . . .
C1AA C 0.4682(7) 0.5913(7) 0.0793(3) 0.0492(17) Uani 1 1 d . U . . .
H1AA H 0.4489 0.6364 0.0810 0.059 Uiso 1 1 calc R U . . .
C46 C 0.1217(7) 0.4551(7) 0.0059(3) 0.0432(18) Uani 1 1 d . U . . .
C47 C 0.0657(8) 0.4688(8) -0.0120(3) 0.0461(16) Uani 1 1 d . U . . .
H47 H 0.0488 0.4326 -0.0232 0.055 Uiso 1 1 calc R U . . .
C48 C 0.0350(8) 0.5348(8) -0.0135(3) 0.0479(16) Uani 1 1 d . U . . .
C49 C 0.0571(8) 0.5891(8) 0.0021(3) 0.0482(15) Uani 1 1 d . U . . .
H49 H 0.0335 0.6320 -0.0002 0.058 Uiso 1 1 calc R U . . .
C50 C 0.1106(7) 0.5882(7) 0.0210(3) 0.0445(15) Uani 1 1 d . U . . .
C51 C 0.1846(8) 0.3513(7) 0.1182(3) 0.0381(15) Uani 1 1 d . U . . .
C52 C 0.1503(8) 0.2913(8) 0.1249(3) 0.0406(14) Uani 1 1 d . U . . .
H52 H 0.1424 0.2843 0.1435 0.049 Uiso 1 1 calc R U . . .
C53 C 0.1255(8) 0.2394(8) 0.1080(3) 0.0405(14) Uani 1 1 d . U . . .
C54 C 0.1331(8) 0.2464(7) 0.0797(3) 0.0377(15) Uani 1 1 d . U . . .
H54A H 0.1591 0.2053 0.0734 0.045 Uiso 1 1 calc R U . . .
H54B H 0.0861 0.2432 0.0719 0.045 Uiso 1 1 calc R U . . .
C55 C 0.1652(8) 0.3051(7) 0.0684(3) 0.0358(16) Uani 1 1 d . U . . .
C56 C 0.3363(8) 0.3580(7) 0.0147(3) 0.0410(17) Uani 1 1 d . U . . .
C57 C 0.3841(8) 0.3194(7) 0.0012(3) 0.0422(16) Uani 1 1 d . U . . .
H57 H 0.3707 0.2860 -0.0118 0.051 Uiso 1 1 calc R U . . .
C58 C 0.4560(8) 0.3316(7) 0.0076(3) 0.0434(15) Uani 1 1 d . U . . .
C59 C 0.4770(8) 0.3800(8) 0.0256(3) 0.0446(14) Uani 1 1 d . U . . .
H59 H 0.5255 0.3824 0.0288 0.054 Uiso 1 1 calc R U . . .
C60 C 0.4350(8) 0.4275(8) 0.0402(3) 0.0437(14) Uani 1 1 d . U . . .
C167 C -0.0793(5) 0.5917(5) -0.07179(19) 0.060(2) Uani 1 1 d G U . . .
H167 H -0.0799 0.6256 -0.0856 0.073 Uiso 1 1 calc R U . . .
C166 C -0.1337(5) 0.5448(5) -0.0694(2) 0.061(2) Uani 1 1 d G U . . .
H166 H -0.1715 0.5466 -0.0816 0.073 Uiso 1 1 calc R U . . .
C165 C -0.1329(5) 0.4952(5) -0.0492(2) 0.0577(19) Uani 1 1 d G U . . .
H165 H -0.1701 0.4632 -0.0476 0.069 Uiso 1 1 calc R U . . .
C164 C -0.0776(5) 0.4926(5) -0.0314(2) 0.0540(16) Uani 1 1 d G U . . .
H164 H -0.0771 0.4587 -0.0176 0.065 Uiso 1 1 calc R U . . .
C163 C -0.0232(5) 0.5395(5) -0.0338(2) 0.0535(16) Uani 1 1 d G U . . .
C168 C -0.0240(4) 0.5891(5) -0.0540(2) 0.0562(17) Uani 1 1 d G U . . .
H168 H 0.0132 0.6211 -0.0556 0.067 Uiso 1 1 calc R U . . .
C170 C 0.1498(5) 0.6532(3) 0.0624(2) 0.0473(17) Uani 1 1 d G U . . .
H170 H 0.1564 0.6100 0.0712 0.057 Uiso 1 1 calc R U . . .
C169 C 0.1269(5) 0.6548(3) 0.0360(2) 0.0451(17) Uani 1 1 d G U . . .
C174 C 0.1171(5) 0.7180(4) 0.02318(16) 0.0494(17) Uani 1 1 d G U . . .
H174 H 0.1014 0.7190 0.0052 0.059 Uiso 1 1 calc R U . . .
C173 C 0.1303(5) 0.7796(3) 0.03668(19) 0.0500(18) Uani 1 1 d G U . . .
H173 H 0.1236 0.8228 0.0279 0.060 Uiso 1 1 calc R U . . .
C172 C 0.1532(5) 0.7781(3) 0.06303(19) 0.0495(19) Uani 1 1 d G U . . .
H172 H 0.1622 0.8202 0.0723 0.059 Uiso 1 1 calc R U . . .
C171 C 0.1630(5) 0.7149(4) 0.07588(16) 0.0496(19) Uani 1 1 d G U . . .
H171 H 0.1786 0.7138 0.0939 0.060 Uiso 1 1 calc R U . . .
C176 C 0.2166(5) 0.4684(5) 0.13820(17) 0.0471(15) Uani 1 1 d G U . . .
H176 H 0.1986 0.4901 0.1226 0.057 Uiso 1 1 calc R U . . .
C177 C 0.2443(5) 0.5085(4) 0.1587(2) 0.0509(19) Uani 1 1 d G U . . .
H177 H 0.2454 0.5576 0.1571 0.061 Uiso 1 1 calc R U . . .
C178 C 0.2706(5) 0.4768(5) 0.18149(17) 0.0519(16) Uani 1 1 d G U . . .
H178 H 0.2896 0.5042 0.1955 0.062 Uiso 1 1 calc R U . . .
C179 C 0.2691(5) 0.4050(5) 0.18385(17) 0.0506(19) Uani 1 1 d G U . . .
H179 H 0.2870 0.3833 0.1994 0.061 Uiso 1 1 calc R U . . .
C180 C 0.2413(5) 0.3649(4) 0.1634(2) 0.0464(15) Uani 1 1 d G U . . .
H180 H 0.2403 0.3157 0.1650 0.056 Uiso 1 1 calc R U . . .
C175 C 0.2150(5) 0.3966(5) 0.14056(17) 0.0439(15) Uani 1 1 d G U . . .
C181 C 0.1112(8) 0.1109(7) 0.1118(3) 0.0470(13) Uani 1 1 d . U . . .
H181 H 0.1450 0.1046 0.0982 0.056 Uiso 1 1 calc R U . . .
C182 C 0.0828(8) 0.0544(7) 0.1240(3) 0.0499(13) Uani 1 1 d . U . . .
H182 H 0.0964 0.0094 0.1183 0.060 Uiso 1 1 calc R U . . .
C183 C 0.0351(8) 0.0604(7) 0.1442(3) 0.0507(17) Uani 1 1 d . U . . .
H183 H 0.0172 0.0207 0.1531 0.061 Uiso 1 1 calc R U . . .
C184 C 0.0143(8) 0.1258(7) 0.1510(3) 0.0496(17) Uani 1 1 d . U . . .
H184 H -0.0200 0.1309 0.1645 0.060 Uiso 1 1 calc R U . . .
C185 C 0.0414(8) 0.1856(7) 0.1390(3) 0.0456(15) Uani 1 1 d . U . . .
H185 H 0.0259 0.2303 0.1443 0.055 Uiso 1 1 calc R U . . .
C186 C 0.0911(8) 0.1784(7) 0.1191(3) 0.0421(14) Uani 1 1 d . U . . .
C187 C 0.5102(8) 0.2923(7) -0.0079(3) 0.0448(14) Uani 1 1 d . U . . .
C188 C 0.5790(8) 0.3150(7) -0.0087(3) 0.0469(16) Uani 1 1 d . U . . .
H188 H 0.5911 0.3563 0.0005 0.056 Uiso 1 1 calc R U . . .
C189 C 0.6292(8) 0.2803(7) -0.0222(3) 0.0494(17) Uani 1 1 d . U . . .
H189 H 0.6752 0.2979 -0.0218 0.059 Uiso 1 1 calc R U . . .
C190 C 0.6160(8) 0.2210(7) -0.0363(3) 0.0506(19) Uani 1 1 d . U . . .
H190 H 0.6515 0.1966 -0.0455 0.061 Uiso 1 1 calc R U . . .
C191 C 0.5473(8) 0.1984(7) -0.0364(3) 0.0496(17) Uani 1 1 d . U . . .
H191 H 0.5352 0.1584 -0.0464 0.060 Uiso 1 1 calc R U . . .
C192 C 0.4949(8) 0.2335(7) -0.0218(3) 0.0470(15) Uani 1 1 d . U . . .
H192 H 0.4488 0.2160 -0.0218 0.056 Uiso 1 1 calc R U . . .
C193 C 0.4664(7) 0.4784(7) 0.0584(3) 0.0466(14) Uani 1 1 d . U . . .
C196 C 0.5253(7) 0.5739(7) 0.0943(3) 0.0505(15) Uani 1 1 d . U . . .
H196 H 0.5464 0.6070 0.1058 0.061 Uiso 1 1 calc R U . . .
C197 C 0.5521(7) 0.5060(7) 0.0923(3) 0.0483(14) Uani 1 1 d . U . . .
H197 H 0.5891 0.4916 0.1036 0.058 Uiso 1 1 calc R U . . .
C198 C 0.5240(7) 0.4603(7) 0.0738(3) 0.0469(13) Uani 1 1 d . U . . .
H198 H 0.5444 0.4158 0.0716 0.056 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 Cl1 2.381(4) . ?
Rh1 P1 2.131(4) . ?
Rh1 P2 2.319(4) . ?
Rh1 P3 2.326(4) . ?
Rh1 P4 2.297(4) . ?
P1 O1 1.607(10) . ?
P1 O2 1.626(11) . ?
P1 O3 1.587(10) . ?
P2 C1 1.732(15) . ?
P2 C5 1.766(16) . ?
P3 C11 1.761(15) . ?
P3 C15 1.697(15) . ?
P4 C6 1.709(16) . ?
P4 C10 1.766(17) . ?
O1 C1 1.422(17) . ?
O2 C10 1.393(16) . ?
O3 C15 1.483(18) . ?
C1 C2 1.350(19) . ?
C2 H2 0.9500 . ?
C2 C3 1.38(2) . ?
C3 C4 1.40(2) . ?
C3 C9MA 1.507(16) . ?
C4 H4 0.9500 . ?
C4 C5 1.41(2) . ?
C5 C61 1.456(16) . ?
C6 C7 1.37(2) . ?
C6 C73 1.466(18) . ?
C7 H7 0.9500 . ?
C7 C8 1.43(2) . ?
C8 C9 1.394(19) . ?
C8 C67 1.500(18) . ?
C8HA H8HA 0.9500 . ?
C8HA C9HA 1.3900 . ?
C8HA C8IA 1.3900 . ?
C9HA H9HA 0.9500 . ?
C9HA C6LA 1.3900 . ?
C6LA H6LA 0.9500 . ?
C6LA C9MA 1.3900 . ?
C9MA C0IA 1.3900 . ?
C0IA H0IA 0.9500 . ?
C0IA C8IA 1.3900 . ?
C8IA H8IA 0.9500 . ?
C9 H9 0.9500 . ?
C9 C10 1.38(2) . ?
C11 C12 1.380(19) . ?
C11 C79 1.464(19) . ?
C12 H12 0.9500 . ?
C12 C13 1.42(2) . ?
C13 C14 1.39(2) . ?
C13 C85 1.495(15) . ?
C14 H14 0.9500 . ?
C14 C15 1.361(19) . ?
C66 H66 0.9500 . ?
C66 C65 1.3900 . ?
C66 C61 1.3900 . ?
C65 H65 0.9500 . ?
C65 C64 1.3900 . ?
C64 H64 0.9500 . ?
C64 C63 1.3900 . ?
C63 H63 0.9500 . ?
C63 C62 1.3900 . ?
C62 H62 0.9500 . ?
C62 C61 1.3900 . ?
C67 C72 1.3900 . ?
C67 C68 1.3900 . ?
C72 H72 0.9500 . ?
C72 C71 1.3900 . ?
C71 H71 0.9500 . ?
C71 C70 1.3900 . ?
C70 H70 0.9500 . ?
C70 C69 1.3900 . ?
C69 H69 0.9500 . ?
C69 C68 1.3900 . ?
C68 H68 0.9500 . ?
C76 H76 0.9500 . ?
C76 C75 1.3900 . ?
C76 C77 1.3900 . ?
C75 H75 0.9500 . ?
C75 C74 1.3900 . ?
C74 H74 0.9500 . ?
C74 C73 1.3900 . ?
C73 C78 1.3900 . ?
C78 H78 0.9500 . ?
C78 C77 1.3900 . ?
C77 H77 0.9500 . ?
C79 C80 1.391(18) . ?
C79 C84 1.394(17) . ?
C80 H80 0.9500 . ?
C80 C81 1.371(18) . ?
C81 H81 0.9500 . ?
C81 C82 1.374(18) . ?
C82 H82 0.9500 . ?
C82 C83 1.400(19) . ?
C83 H83 0.9500 . ?
C83 C84 1.386(19) . ?
C84 H84 0.9500 . ?
C86 H86 0.9500 . ?
C86 C87 1.3900 . ?
C86 C85 1.3900 . ?
C87 H87 0.9500 . ?
C87 C88 1.3900 . ?
C88 H88 0.9500 . ?
C88 C89 1.3900 . ?
C89 H89 0.9500 . ?
C89 C90 1.3900 . ?
C90 H90 0.9500 . ?
C90 C85 1.3900 . ?
Rh2 Cl2 2.395(4) . ?
Rh2 P5 2.142(4) . ?
Rh2 P6 2.318(4) . ?
Rh2 P7 2.322(4) . ?
Rh2 P8 2.303(4) . ?
P5 O4 1.590(9) . ?
P5 O5 1.595(10) . ?
P5 O6 1.609(11) . ?
P6 C16 1.764(16) . ?
P6 C20 1.727(15) . ?
P7 C21 1.710(17) . ?
P7 C25 1.807(15) . ?
P8 C26 1.737(14) . ?
P8 C30 1.715(14) . ?
O4 C20 1.412(17) . ?
O5 C21 1.503(18) . ?
O6 C26 1.393(15) . ?
C16 C17 1.40(2) . ?
C16 C91 1.439(19) . ?
C17 H17 0.9500 . ?
C17 C18 1.41(2) . ?
C18 C19 1.38(2) . ?
C18 C97 1.480(19) . ?
C19 H19 0.9500 . ?
C19 C20 1.37(2) . ?
C21 C22 1.33(2) . ?
C22 H22 0.9500 . ?
C22 C23 1.39(2) . ?
C23 C24 1.40(2) . ?
C23 C103 1.468(18) . ?
C24 H24 0.9500 . ?
C24 C25 1.42(2) . ?
C25 C1HA 1.511(7) . ?
C25 C109 1.504(7) . ?
C26 C27 1.420(19) . ?
C27 H27 0.9500 . ?
C27 C28 1.406(19) . ?
C28 C29 1.433(19) . ?
C28 C121 1.479(18) . ?
C29 H29 0.9500 . ?
C29 C30 1.392(19) . ?
C30 C115 1.490(15) . ?
C91 C92 1.396(17) . ?
C91 C96 1.382(16) . ?
C92 H92 0.9500 . ?
C92 C93 1.401(17) . ?
C93 H93 0.9500 . ?
C93 C94 1.388(17) . ?
C94 H94 0.9500 . ?
C94 C95 1.382(18) . ?
C95 H95 0.9500 . ?
C95 C96 1.380(17) . ?
C96 H96 0.9500 . ?
C97 C98 1.387(18) . ?
C97 C102 1.380(17) . ?
C98 H98 0.9500 . ?
C98 C99 1.372(18) . ?
C99 H99 0.9500 . ?
C99 C100 1.371(17) . ?
C100 H100 0.9500 . ?
C100 C101 1.420(18) . ?
C101 H101 0.9500 . ?
C101 C102 1.404(18) . ?
C102 H102 0.9500 . ?
C104 H104 0.9500 . ?
C104 C103 1.3900 . ?
C104 C105 1.3900 . ?
C103 C108 1.3900 . ?
C108 H108 0.9500 . ?
C108 C107 1.3900 . ?
C107 H107 0.9500 . ?
C107 C106 1.3900 . ?
C106 H106 0.9500 . ?
C106 C105 1.3900 . ?
C105 H105 0.9500 . ?
C120 H120 0.9500 . ?
C120 C119 1.3900 . ?
C120 C115 1.3900 . ?
C119 H119 0.9500 . ?
C119 C118 1.3900 . ?
C118 H118 0.9500 . ?
C118 C117 1.3900 . ?
C117 H117 0.9500 . ?
C117 C116 1.3900 . ?
C116 H116 0.9500 . ?
C116 C115 1.3900 . ?
C121 C122 1.403(17) . ?
C121 C126 1.390(17) . ?
C122 H122 0.9500 . ?
C122 C123 1.413(17) . ?
C123 H123 0.9500 . ?
C123 C124 1.381(17) . ?
C124 H124 0.9500 . ?
C124 C125 1.379(17) . ?
C125 H125 0.9500 . ?
C125 C126 1.356(17) . ?
C126 H126 0.9500 . ?
C7JA H7JA 0.9500 . ?
C7JA C9KA 1.3900 . ?
C7JA C4AA 1.3900 . ?
C9KA H9KA 0.9500 . ?
C9KA C1HA 1.3900 . ?
C1HA C5KA 1.3900 . ?
C5KA H5KA 0.9500 . ?
C5KA C8KA 1.3900 . ?
C8KA H8KA 0.9500 . ?
C8KA C4AA 1.3900 . ?
C4AA H4AA 0.9500 . ?
C114 H114 0.9500 . ?
C114 C113 1.3900 . ?
C114 C109 1.3900 . ?
C113 H113 0.9500 . ?
C113 C112 1.3900 . ?
C112 H112 0.9500 . ?
C112 C111 1.3900 . ?
C111 H111 0.9500 . ?
C111 C110 1.3900 . ?
C110 H110 0.9500 . ?
C110 C109 1.3900 . ?
Rh3 Cl3 2.396(5) . ?
Rh3 P9 2.158(4) . ?
Rh3 P10 2.319(4) . ?
Rh3 P11 2.294(4) . ?
Rh3 P12 2.322(5) . ?
P9 O7 1.602(11) . ?
P9 O8 1.593(10) . ?
P9 O9 1.604(11) . ?
P10 C31 1.716(16) . ?
P10 C35 1.731(15) . ?
P11 C36 1.726(16) . ?
P11 C40 1.771(16) . ?
P12 C41 1.772(16) . ?
P12 C45 1.732(14) . ?
O7 C35 1.417(18) . ?
O8 C36 1.436(18) . ?
O9 C41 1.327(16) . ?
C31 C32 1.39(2) . ?
C31 C133 1.529(17) . ?
C32 H32 0.9500 . ?
C32 C33 1.38(2) . ?
C33 C34 1.44(2) . ?
C33 C132 1.48(2) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C34 C35 1.39(2) . ?
C36 C37 1.33(2) . ?
C37 H37 0.9500 . ?
C37 C38 1.41(2) . ?
C38 C39 1.36(2) . ?
C38 C139 1.520(17) . ?
C39 H39 0.9500 . ?
C39 C40 1.40(2) . ?
C40 C145 1.48(2) . ?
C41 C42 1.40(2) . ?
C42 H42 0.9500 . ?
C42 C43 1.404(19) . ?
C43 C44 1.37(2) . ?
C43 C151 1.51(2) . ?
C44 H44 0.9500 . ?
C44 C45 1.42(2) . ?
C45 C157 1.555(15) . ?
C127 H127 0.9500 . ?
C127 C128 1.371(19) . ?
C127 C132 1.374(18) . ?
C128 H128 0.9500 . ?
C128 C129 1.360(19) . ?
C129 H129 0.9500 . ?
C129 C130 1.374(19) . ?
C130 H130 0.9500 . ?
C130 C131 1.408(19) . ?
C131 H131 0.9500 . ?
C131 C132 1.400(17) . ?
C137 H137 0.9500 . ?
C137 C138 1.3900 . ?
C137 C136 1.3900 . ?
C138 H138 0.9500 . ?
C138 C133 1.3900 . ?
C133 C134 1.3900 . ?
C134 H134 0.9500 . ?
C134 C135 1.3900 . ?
C135 H135 0.9500 . ?
C135 C136 1.3900 . ?
C136 H136 0.9500 . ?
C143 H143 0.9500 . ?
C143 C144 1.3900 . ?
C143 C142 1.3900 . ?
C144 H144 0.9500 . ?
C144 C139 1.3900 . ?
C139 C140 1.3900 . ?
C140 H140 0.9500 . ?
C140 C141 1.3900 . ?
C141 H141 0.9500 . ?
C141 C142 1.3900 . ?
C142 H142 0.9500 . ?
C145 C146 1.405(18) . ?
C145 C150 1.409(18) . ?
C146 H146 0.9500 . ?
C146 C147 1.396(19) . ?
C147 H147 0.9500 . ?
C147 C148 1.363(19) . ?
C148 H148 0.9500 . ?
C148 C149 1.393(18) . ?
C149 H149 0.9500 . ?
C149 C150 1.405(19) . ?
C150 H150 0.9500 . ?
C151 C152 1.388(19) . ?
C151 C156 1.396(17) . ?
C152 H152 0.9500 . ?
C152 C153 1.38(2) . ?
C153 H153 0.9500 . ?
C153 C154 1.384(18) . ?
C154 H154 0.9500 . ?
C154 C155 1.362(19) . ?
C155 H155 0.9500 . ?
C155 C156 1.40(2) . ?
C156 H156 0.9500 . ?
C157 C203 1.3900 . ?
C157 C199 1.3900 . ?
C157 C158 1.13(4) . ?
C157 C162 1.49(4) . ?
C203 H203 0.9500 . ?
C203 C202 1.3900 . ?
C202 H202 0.9500 . ?
C202 C201 1.3900 . ?
C201 H201 0.9500 . ?
C201 C200 1.3900 . ?
C200 H200 0.9500 . ?
C200 C199 1.3900 . ?
C199 H199 0.9500 . ?
C158 H158 0.9500 . ?
C158 C159 1.39(6) . ?
C159 H159 0.9500 . ?
C159 C160 1.43(6) . ?
C160 H160 0.9500 . ?
C160 C161 1.35(6) . ?
C161 H161 0.9500 . ?
C161 C162 1.39(6) . ?
C162 H162 0.9500 . ?
Rh4 Cl4 2.395(4) . ?
Rh4 P13 2.151(4) . ?
Rh4 P14 2.329(4) . ?
Rh4 P15 2.325(4) . ?
Rh4 P16 2.289(4) . ?
P13 O10 1.602(10) . ?
P13 O11 1.592(11) . ?
P13 O12 1.589(10) . ?
P14 C46 1.756(17) . ?
P14 C50 1.715(14) . ?
P15 C51 1.721(16) . ?
P15 C55 1.730(15) . ?
P16 C56 1.698(16) . ?
P16 C60 1.755(16) . ?
O10 C46 1.340(16) . ?
O11 C55 1.412(18) . ?
O12 C56 1.462(18) . ?
C0AA H0AA 0.9500 . ?
C0AA C1AA 1.380(18) . ?
C0AA C193 1.399(17) . ?
C1AA H1AA 0.9500 . ?
C1AA C196 1.374(19) . ?
C46 C47 1.43(2) . ?
C47 H47 0.9500 . ?
C47 C48 1.40(2) . ?
C48 C49 1.37(2) . ?
C48 C163 1.515(18) . ?
C49 H49 0.9500 . ?
C49 C50 1.40(2) . ?
C50 C169 1.520(16) . ?
C51 C52 1.37(2) . ?
C51 C175 1.534(16) . ?
C52 H52 0.9500 . ?
C52 C53 1.39(2) . ?
C53 C54 1.43(2) . ?
C53 C186 1.460(19) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C54 C55 1.408(19) . ?
C56 C57 1.36(2) . ?
C57 H57 0.9500 . ?
C57 C58 1.44(2) . ?
C58 C59 1.36(2) . ?
C58 C187 1.504(19) . ?
C59 H59 0.9500 . ?
C59 C60 1.42(2) . ?
C60 C193 1.47(2) . ?
C167 H167 0.9500 . ?
C167 C166 1.3900 . ?
C167 C168 1.3900 . ?
C166 H166 0.9500 . ?
C166 C165 1.3900 . ?
C165 H165 0.9500 . ?
C165 C164 1.3900 . ?
C164 H164 0.9500 . ?
C164 C163 1.3900 . ?
C163 C168 1.3900 . ?
C168 H168 0.9500 . ?
C170 H170 0.9500 . ?
C170 C169 1.3900 . ?
C170 C171 1.3900 . ?
C169 C174 1.3900 . ?
C174 H174 0.9500 . ?
C174 C173 1.3900 . ?
C173 H173 0.9500 . ?
C173 C172 1.3900 . ?
C172 H172 0.9500 . ?
C172 C171 1.3900 . ?
C171 H171 0.9500 . ?
C176 H176 0.9500 . ?
C176 C177 1.3900 . ?
C176 C175 1.3900 . ?
C177 H177 0.9500 . ?
C177 C178 1.3900 . ?
C178 H178 0.9500 . ?
C178 C179 1.3900 . ?
C179 H179 0.9500 . ?
C179 C180 1.3900 . ?
C180 H180 0.9500 . ?
C180 C175 1.3900 . ?
C181 H181 0.9500 . ?
C181 C182 1.363(18) . ?
C181 C186 1.406(18) . ?
C182 H182 0.9500 . ?
C182 C183 1.371(19) . ?
C183 H183 0.9500 . ?
C183 C184 1.365(18) . ?
C184 H184 0.9500 . ?
C184 C185 1.401(18) . ?
C185 H185 0.9500 . ?
C185 C186 1.387(18) . ?
C187 C188 1.396(19) . ?
C187 C192 1.364(18) . ?
C188 H188 0.9500 . ?
C188 C189 1.355(19) . ?
C189 H189 0.9500 . ?
C189 C190 1.368(19) . ?
C190 H190 0.9500 . ?
C190 C191 1.39(2) . ?
C191 H191 0.9500 . ?
C191 C192 1.415(19) . ?
C192 H192 0.9500 . ?
C193 C198 1.395(18) . ?
C196 H196 0.9500 . ?
C196 C197 1.411(18) . ?
C197 H197 0.9500 . ?
C197 C198 1.387(18) . ?
C198 H198 0.9500 . ?

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
P1 Rh1 Cl1 178.46(16) . . ?
P1 Rh1 P2 81.39(14) . . ?
P1 Rh1 P3 81.47(15) . . ?
P1 Rh1 P4 81.62(15) . . ?
P2 Rh1 Cl1 98.75(15) . . ?
P2 Rh1 P3 118.22(14) . . ?
P3 Rh1 Cl1 99.77(14) . . ?
P4 Rh1 Cl1 96.93(16) . . ?
P4 Rh1 P2 113.75(14) . . ?
P4 Rh1 P3 121.57(16) . . ?
O1 P1 Rh1 117.6(4) . . ?
O1 P1 O2 102.2(6) . . ?
O2 P1 Rh1 117.9(4) . . ?
O3 P1 Rh1 118.6(4) . . ?
O3 P1 O1 97.9(5) . . ?
O3 P1 O2 99.2(6) . . ?
C1 P2 Rh1 108.3(5) . . ?
C1 P2 C5 101.2(7) . . ?
C5 P2 Rh1 150.6(5) . . ?
C11 P3 Rh1 150.1(5) . . ?
C15 P3 Rh1 108.4(5) . . ?
C15 P3 C11 101.4(7) . . ?
C6 P4 Rh1 149.5(7) . . ?
C6 P4 C10 101.2(8) . . ?
C10 P4 Rh1 107.4(5) . . ?
C1 O1 P1 117.1(9) . . ?
C10 O2 P1 115.1(10) . . ?
C15 O3 P1 115.3(8) . . ?
O1 C1 P2 115.6(10) . . ?
C2 C1 P2 127.4(12) . . ?
C2 C1 O1 117.0(13) . . ?
C1 C2 H2 118.6 . . ?
C1 C2 C3 122.8(14) . . ?
C3 C2 H2 118.6 . . ?
C2 C3 C4 121.6(14) . . ?
C2 C3 C9MA 121.5(12) . . ?
C4 C3 C9MA 116.8(13) . . ?
C3 C4 H4 116.5 . . ?
C3 C4 C5 127.1(15) . . ?
C5 C4 H4 116.5 . . ?
C4 C5 P2 119.7(11) . . ?
C4 C5 C61 121.2(13) . . ?
C61 C5 P2 119.0(10) . . ?
C7 C6 P4 123.8(13) . . ?
C7 C6 C73 117.6(13) . . ?
C73 C6 P4 118.7(12) . . ?
C6 C7 H7 116.3 . . ?
C6 C7 C8 127.4(14) . . ?
C8 C7 H7 116.3 . . ?
C7 C8 C67 121.1(13) . . ?
C9 C8 C7 117.6(15) . . ?
C9 C8 C67 121.3(14) . . ?
C9HA C8HA H8HA 120.0 . . ?
C9HA C8HA C8IA 120.0 . . ?
C8IA C8HA H8HA 120.0 . . ?
C8HA C9HA H9HA 120.0 . . ?
C6LA C9HA C8HA 120.0 . . ?
C6LA C9HA H9HA 120.0 . . ?
C9HA C6LA H6LA 120.0 . . ?
C9MA C6LA C9HA 120.0 . . ?
C9MA C6LA H6LA 120.0 . . ?
C6LA C9MA C3 120.9(8) . . ?
C6LA C9MA C0IA 120.0 . . ?
C0IA C9MA C3 119.1(8) . . ?
C9MA C0IA H0IA 120.0 . . ?
C8IA C0IA C9MA 120.0 . . ?
C8IA C0IA H0IA 120.0 . . ?
C8HA C8IA H8IA 120.0 . . ?
C0IA C8IA C8HA 120.0 . . ?
C0IA C8IA H8IA 120.0 . . ?
C8 C9 H9 117.0 . . ?
C10 C9 C8 125.9(16) . . ?
C10 C9 H9 117.0 . . ?
O2 C10 P4 116.7(11) . . ?
C9 C10 P4 123.9(11) . . ?
C9 C10 O2 119.5(14) . . ?
C12 C11 P3 119.1(12) . . ?
C12 C11 C79 121.3(14) . . ?
C79 C11 P3 119.6(10) . . ?
C11 C12 H12 115.4 . . ?
C11 C12 C13 129.1(15) . . ?
C13 C12 H12 115.4 . . ?
C12 C13 C85 120.4(13) . . ?
C14 C13 C12 119.6(13) . . ?
C14 C13 C85 119.9(13) . . ?
C13 C14 H14 119.2 . . ?
C15 C14 C13 121.5(15) . . ?
C15 C14 H14 119.2 . . ?
O3 C15 P3 116.2(9) . . ?
C14 C15 P3 129.2(12) . . ?
C14 C15 O3 114.6(13) . . ?
C65 C66 H66 120.0 . . ?
C65 C66 C61 120.0 . . ?
C61 C66 H66 120.0 . . ?
C66 C65 H65 120.0 . . ?
C64 C65 C66 120.0 . . ?
C64 C65 H65 120.0 . . ?
C65 C64 H64 120.0 . . ?
C65 C64 C63 120.0 . . ?
C63 C64 H64 120.0 . . ?
C64 C63 H63 120.0 . . ?
C62 C63 C64 120.0 . . ?
C62 C63 H63 120.0 . . ?
C63 C62 H62 120.0 . . ?
C63 C62 C61 120.0 . . ?
C61 C62 H62 120.0 . . ?
C66 C61 C5 120.4(8) . . ?
C62 C61 C5 119.3(8) . . ?
C62 C61 C66 120.0 . . ?
C72 C67 C8 120.8(9) . . ?
C72 C67 C68 120.0 . . ?
C68 C67 C8 119.0(9) . . ?
C67 C72 H72 120.0 . . ?
C67 C72 C71 120.0 . . ?
C71 C72 H72 120.0 . . ?
C72 C71 H71 120.0 . . ?
C70 C71 C72 120.0 . . ?
C70 C71 H71 120.0 . . ?
C71 C70 H70 120.0 . . ?
C69 C70 C71 120.0 . . ?
C69 C70 H70 120.0 . . ?
C70 C69 H69 120.0 . . ?
C70 C69 C68 120.0 . . ?
C68 C69 H69 120.0 . . ?
C67 C68 H68 120.0 . . ?
C69 C68 C67 120.0 . . ?
C69 C68 H68 120.0 . . ?
C75 C76 H76 120.0 . . ?
C75 C76 C77 120.0 . . ?
C77 C76 H76 120.0 . . ?
C76 C75 H75 120.0 . . ?
C76 C75 C74 120.0 . . ?
C74 C75 H75 120.0 . . ?
C75 C74 H74 120.0 . . ?
C73 C74 C75 120.0 . . ?
C73 C74 H74 120.0 . . ?
C74 C73 C6 117.8(9) . . ?
C74 C73 C78 120.0 . . ?
C78 C73 C6 122.2(9) . . ?
C73 C78 H78 120.0 . . ?
C73 C78 C77 120.0 . . ?
C77 C78 H78 120.0 . . ?
C76 C77 H77 120.0 . . ?
C78 C77 C76 120.0 . . ?
C78 C77 H77 120.0 . . ?
C80 C79 C11 120.0(12) . . ?
C80 C79 C84 117.8(13) . . ?
C84 C79 C11 122.2(13) . . ?
C79 C80 H80 119.2 . . ?
C81 C80 C79 121.5(12) . . ?
C81 C80 H80 119.2 . . ?
C80 C81 H81 119.6 . . ?
C80 C81 C82 120.9(13) . . ?
C82 C81 H81 119.6 . . ?
C81 C82 H82 120.6 . . ?
C81 C82 C83 118.9(13) . . ?
C83 C82 H82 120.6 . . ?
C82 C83 H83 119.9 . . ?
C84 C83 C82 120.1(13) . . ?
C84 C83 H83 119.9 . . ?
C79 C84 H84 119.6 . . ?
C83 C84 C79 120.8(13) . . ?
C83 C84 H84 119.6 . . ?
C87 C86 H86 120.0 . . ?
C87 C86 C85 120.0 . . ?
C85 C86 H86 120.0 . . ?
C86 C87 H87 120.0 . . ?
C86 C87 C88 120.0 . . ?
C88 C87 H87 120.0 . . ?
C87 C88 H88 120.0 . . ?
C89 C88 C87 120.0 . . ?
C89 C88 H88 120.0 . . ?
C88 C89 H89 120.0 . . ?
C88 C89 C90 120.0 . . ?
C90 C89 H89 120.0 . . ?
C89 C90 H90 120.0 . . ?
C89 C90 C85 120.0 . . ?
C85 C90 H90 120.0 . . ?
C86 C85 C13 120.8(8) . . ?
C90 C85 C13 119.2(8) . . ?
C90 C85 C86 120.0 . . ?
P5 Rh2 Cl2 178.47(17) . . ?
P5 Rh2 P6 81.33(14) . . ?
P5 Rh2 P7 81.59(15) . . ?
P5 Rh2 P8 81.69(14) . . ?
P6 Rh2 Cl2 98.30(16) . . ?
P6 Rh2 P7 118.59(14) . . ?
P7 Rh2 Cl2 99.87(16) . . ?
P8 Rh2 Cl2 97.12(15) . . ?
P8 Rh2 P6 112.74(14) . . ?
P8 Rh2 P7 122.27(15) . . ?
O4 P5 Rh2 116.9(4) . . ?
O4 P5 O5 99.8(5) . . ?
O4 P5 O6 102.7(6) . . ?
O5 P5 Rh2 118.3(4) . . ?
O5 P5 O6 98.8(6) . . ?
O6 P5 Rh2 117.1(4) . . ?
C16 P6 Rh2 150.2(5) . . ?
C20 P6 Rh2 108.1(6) . . ?
C20 P6 C16 101.7(7) . . ?
C21 P7 Rh2 109.3(5) . . ?
C21 P7 C25 102.4(7) . . ?
C25 P7 Rh2 148.2(4) . . ?
C26 P8 Rh2 106.9(5) . . ?
C30 P8 Rh2 149.0(5) . . ?
C30 P8 C26 102.0(7) . . ?
C20 O4 P5 118.1(9) . . ?
C21 O5 P5 115.7(9) . . ?
C26 O6 P5 115.2(9) . . ?
C17 C16 P6 119.0(12) . . ?
C17 C16 C91 121.0(14) . . ?
C91 C16 P6 119.9(11) . . ?
C16 C17 H17 116.0 . . ?
C16 C17 C18 127.9(15) . . ?
C18 C17 H17 116.0 . . ?
C17 C18 C97 117.1(14) . . ?
C19 C18 C17 121.4(14) . . ?
C19 C18 C97 121.4(14) . . ?
C18 C19 H19 119.1 . . ?
C20 C19 C18 121.8(14) . . ?
C20 C19 H19 119.1 . . ?
O4 C20 P6 115.5(10) . . ?
C19 C20 P6 127.8(12) . . ?
C19 C20 O4 116.7(13) . . ?
O5 C21 P7 114.9(10) . . ?
C22 C21 P7 130.4(14) . . ?
C22 C21 O5 114.7(14) . . ?
C21 C22 H22 119.3 . . ?
C21 C22 C23 121.5(17) . . ?
C23 C22 H22 119.3 . . ?
C22 C23 C24 119.0(16) . . ?
C22 C23 C103 120.5(15) . . ?
C24 C23 C103 120.4(15) . . ?
C23 C24 H24 113.5 . . ?
C23 C24 C25 133.1(16) . . ?
C25 C24 H24 113.5 . . ?
C24 C25 P7 113.6(9) . . ?
C24 C25 C1HA 125.6(14) . . ?
C24 C25 C109 134(2) . . ?
C1HA C25 P7 120.8(11) . . ?
C109 C25 P7 108.6(18) . . ?
O6 C26 P8 117.8(10) . . ?
O6 C26 C27 117.1(12) . . ?
C27 C26 P8 125.0(10) . . ?
C26 C27 H27 118.2 . . ?
C28 C27 C26 123.6(13) . . ?
C28 C27 H27 118.2 . . ?
C27 C28 C29 119.3(13) . . ?
C27 C28 C121 120.5(13) . . ?
C29 C28 C121 120.3(13) . . ?
C28 C29 H29 116.7 . . ?
C30 C29 C28 126.6(13) . . ?
C30 C29 H29 116.7 . . ?
C29 C30 P8 123.4(11) . . ?
C29 C30 C115 117.2(12) . . ?
C115 C30 P8 119.3(10) . . ?
C92 C91 C16 120.0(12) . . ?
C96 C91 C16 121.2(12) . . ?
C96 C91 C92 118.2(11) . . ?
C91 C92 H92 119.4 . . ?
C91 C92 C93 121.2(11) . . ?
C93 C92 H92 119.4 . . ?
C92 C93 H93 120.4 . . ?
C94 C93 C92 119.3(12) . . ?
C94 C93 H93 120.4 . . ?
C93 C94 H94 120.4 . . ?
C95 C94 C93 119.2(12) . . ?
C95 C94 H94 120.4 . . ?
C94 C95 H95 119.4 . . ?
C96 C95 C94 121.2(12) . . ?
C96 C95 H95 119.4 . . ?
C91 C96 H96 119.6 . . ?
C95 C96 C91 120.8(12) . . ?
C95 C96 H96 119.6 . . ?
C98 C97 C18 120.7(12) . . ?
C102 C97 C18 120.5(13) . . ?
C102 C97 C98 118.9(13) . . ?
C97 C98 H98 119.0 . . ?
C99 C98 C97 121.9(12) . . ?
C99 C98 H98 119.0 . . ?
C98 C99 H99 120.1 . . ?
C100 C99 C98 119.9(13) . . ?
C100 C99 H99 120.1 . . ?
C99 C100 H100 120.1 . . ?
C99 C100 C101 119.9(13) . . ?
C101 C100 H100 120.1 . . ?
C100 C101 H101 120.6 . . ?
C102 C101 C100 118.8(12) . . ?
C102 C101 H101 120.6 . . ?
C97 C102 C101 120.5(13) . . ?
C97 C102 H102 119.7 . . ?
C101 C102 H102 119.7 . . ?
C103 C104 H104 120.0 . . ?
C103 C104 C105 120.0 . . ?
C105 C104 H104 120.0 . . ?
C104 C103 C23 121.6(9) . . ?
C104 C103 C108 120.0 . . ?
C108 C103 C23 118.4(9) . . ?
C103 C108 H108 120.0 . . ?
C103 C108 C107 120.0 . . ?
C107 C108 H108 120.0 . . ?
C108 C107 H107 120.0 . . ?
C108 C107 C106 120.0 . . ?
C106 C107 H107 120.0 . . ?
C107 C106 H106 120.0 . . ?
C105 C106 C107 120.0 . . ?
C105 C106 H106 120.0 . . ?
C104 C105 H105 120.0 . . ?
C106 C105 C104 120.0 . . ?
C106 C105 H105 120.0 . . ?
C119 C120 H120 120.0 . . ?
C119 C120 C115 120.0 . . ?
C115 C120 H120 120.0 . . ?
C120 C119 H119 120.0 . . ?
C118 C119 C120 120.0 . . ?
C118 C119 H119 120.0 . . ?
C119 C118 H118 120.0 . . ?
C119 C118 C117 120.0 . . ?
C117 C118 H118 120.0 . . ?
C118 C117 H117 120.0 . . ?
C116 C117 C118 120.0 . . ?
C116 C117 H117 120.0 . . ?
C117 C116 H116 120.0 . . ?
C117 C116 C115 120.0 . . ?
C115 C116 H116 120.0 . . ?
C120 C115 C30 121.1(7) . . ?
C116 C115 C30 118.9(7) . . ?
C116 C115 C120 120.0 . . ?
C122 C121 C28 120.3(12) . . ?
C126 C121 C28 122.6(12) . . ?
C126 C121 C122 117.1(12) . . ?
C121 C122 H122 119.5 . . ?
C121 C122 C123 121.0(12) . . ?
C123 C122 H122 119.5 . . ?
C122 C123 H123 120.6 . . ?
C124 C123 C122 118.9(12) . . ?
C124 C123 H123 120.6 . . ?
C123 C124 H124 120.0 . . ?
C125 C124 C123 120.0(12) . . ?
C125 C124 H124 120.0 . . ?
C124 C125 H125 119.6 . . ?
C126 C125 C124 120.8(12) . . ?
C126 C125 H125 119.6 . . ?
C121 C126 H126 118.9 . . ?
C125 C126 C121 122.2(12) . . ?
C125 C126 H126 118.9 . . ?
C9KA C7JA H7JA 120.0 . . ?
C9KA C7JA C4AA 120.0 . . ?
C4AA C7JA H7JA 120.0 . . ?
C7JA C9KA H9KA 120.0 . . ?
C1HA C9KA C7JA 120.0 . . ?
C1HA C9KA H9KA 120.0 . . ?
C9KA C1HA C25 122.3(11) . . ?
C9KA C1HA C5KA 120.0 . . ?
C5KA C1HA C25 117.7(11) . . ?
C1HA C5KA H5KA 120.0 . . ?
C8KA C5KA C1HA 120.0 . . ?
C8KA C5KA H5KA 120.0 . . ?
C5KA C8KA H8KA 120.0 . . ?
C4AA C8KA C5KA 120.0 . . ?
C4AA C8KA H8KA 120.0 . . ?
C7JA C4AA H4AA 120.0 . . ?
C8KA C4AA C7JA 120.0 . . ?
C8KA C4AA H4AA 120.0 . . ?
C113 C114 H114 120.0 . . ?
C113 C114 C109 120.0 . . ?
C109 C114 H114 120.0 . . ?
C114 C113 H113 120.0 . . ?
C114 C113 C112 120.0 . . ?
C112 C113 H113 120.0 . . ?
C113 C112 H112 120.0 . . ?
C113 C112 C111 120.0 . . ?
C111 C112 H112 120.0 . . ?
C112 C111 H111 120.0 . . ?
C110 C111 C112 120.0 . . ?
C110 C111 H111 120.0 . . ?
C111 C110 H110 120.0 . . ?
C111 C110 C109 120.0 . . ?
C109 C110 H110 120.0 . . ?
C114 C109 C25 109(2) . . ?
C110 C109 C25 127(3) . . ?
C110 C109 C114 120.0 . . ?
P9 Rh3 Cl3 177.95(16) . . ?
P9 Rh3 P10 81.94(14) . . ?
P9 Rh3 P11 81.17(15) . . ?
P9 Rh3 P12 80.61(15) . . ?
P10 Rh3 Cl3 100.10(16) . . ?
P10 Rh3 P12 117.70(16) . . ?
P11 Rh3 Cl3 97.84(18) . . ?
P11 Rh3 P10 114.01(15) . . ?
P11 Rh3 P12 121.41(15) . . ?
P12 Rh3 Cl3 98.47(19) . . ?
O7 P9 Rh3 116.4(4) . . ?
O7 P9 O9 101.7(6) . . ?
O8 P9 Rh3 116.1(4) . . ?
O8 P9 O7 101.9(5) . . ?
O8 P9 O9 101.5(5) . . ?
O9 P9 Rh3 116.8(4) . . ?
C31 P10 Rh3 151.3(6) . . ?
C31 P10 C35 101.3(7) . . ?
C35 P10 Rh3 107.4(6) . . ?
C36 P11 Rh3 109.9(5) . . ?
C36 P11 C40 99.8(7) . . ?
C40 P11 Rh3 147.5(6) . . ?
C41 P12 Rh3 106.9(5) . . ?
C45 P12 Rh3 152.8(6) . . ?
C45 P12 C41 100.1(7) . . ?
C35 O7 P9 117.3(9) . . ?
C36 O8 P9 118.4(9) . . ?
C41 O9 P9 118.5(10) . . ?
C32 C31 P10 122.8(13) . . ?
C32 C31 C133 117.8(14) . . ?
C133 C31 P10 119.4(10) . . ?
C31 C32 H32 116.7 . . ?
C33 C32 C31 126.7(16) . . ?
C33 C32 H32 116.7 . . ?
C32 C33 C34 121.8(14) . . ?
C32 C33 C132 120.9(14) . . ?
C34 C33 C132 117.2(13) . . ?
C33 C34 H34A 107.4 . . ?
C33 C34 H34B 107.4 . . ?
H34A C34 H34B 106.9 . . ?
C35 C34 C33 119.7(14) . . ?
C35 C34 H34A 107.4 . . ?
C35 C34 H34B 107.4 . . ?
O7 C35 P10 116.9(11) . . ?
C34 C35 P10 127.5(12) . . ?
C34 C35 O7 115.6(13) . . ?
O8 C36 P11 113.2(10) . . ?
C37 C36 P11 129.7(13) . . ?
C37 C36 O8 117.0(14) . . ?
C36 C37 H37 119.4 . . ?
C36 C37 C38 121.3(16) . . ?
C38 C37 H37 119.4 . . ?
C37 C38 C139 120.6(14) . . ?
C39 C38 C37 120.1(15) . . ?
C39 C38 C139 119.0(14) . . ?
C38 C39 H39 115.0 . . ?
C38 C39 C40 130.1(16) . . ?
C40 C39 H39 115.0 . . ?
C39 C40 P11 118.6(12) . . ?
C39 C40 C145 124.6(14) . . ?
C145 C40 P11 116.8(12) . . ?
O9 C41 P12 116.6(12) . . ?
O9 C41 C42 117.0(13) . . ?
C42 C41 P12 126.3(11) . . ?
C41 C42 H42 119.3 . . ?
C41 C42 C43 121.5(15) . . ?
C43 C42 H42 119.3 . . ?
C42 C43 C151 116.7(14) . . ?
C44 C43 C42 123.1(16) . . ?
C44 C43 C151 120.2(13) . . ?
C43 C44 H44 117.4 . . ?
C43 C44 C45 125.2(14) . . ?
C45 C44 H44 117.4 . . ?
C44 C45 P12 123.8(10) . . ?
C44 C45 C157 119.7(12) . . ?
C157 C45 P12 116.5(11) . . ?
C128 C127 H127 119.1 . . ?
C128 C127 C132 121.8(13) . . ?
C132 C127 H127 119.1 . . ?
C127 C128 H128 119.6 . . ?
C129 C128 C127 120.8(13) . . ?
C129 C128 H128 119.6 . . ?
C128 C129 H129 120.4 . . ?
C128 C129 C130 119.2(13) . . ?
C130 C129 H129 120.4 . . ?
C129 C130 H130 119.5 . . ?
C129 C130 C131 121.0(13) . . ?
C131 C130 H130 119.5 . . ?
C130 C131 H131 120.6 . . ?
C132 C131 C130 118.8(12) . . ?
C132 C131 H131 120.6 . . ?
C127 C132 C33 123.0(13) . . ?
C127 C132 C131 118.4(12) . . ?
C131 C132 C33 118.3(13) . . ?
C138 C137 H137 120.0 . . ?
C138 C137 C136 120.0 . . ?
C136 C137 H137 120.0 . . ?
C137 C138 H138 120.0 . . ?
C137 C138 C133 120.0 . . ?
C133 C138 H138 120.0 . . ?
C138 C133 C31 120.1(9) . . ?
C134 C133 C31 119.9(9) . . ?
C134 C133 C138 120.0 . . ?
C133 C134 H134 120.0 . . ?
C133 C134 C135 120.0 . . ?
C135 C134 H134 120.0 . . ?
C134 C135 H135 120.0 . . ?
C134 C135 C136 120.0 . . ?
C136 C135 H135 120.0 . . ?
C137 C136 H136 120.0 . . ?
C135 C136 C137 120.0 . . ?
C135 C136 H136 120.0 . . ?
C144 C143 H143 120.0 . . ?
C144 C143 C142 120.0 . . ?
C142 C143 H143 120.0 . . ?
C143 C144 H144 120.0 . . ?
C143 C144 C139 120.0 . . ?
C139 C144 H144 120.0 . . ?
C144 C139 C38 119.5(9) . . ?
C140 C139 C38 120.5(9) . . ?
C140 C139 C144 120.0 . . ?
C139 C140 H140 120.0 . . ?
C139 C140 C141 120.0 . . ?
C141 C140 H140 120.0 . . ?
C140 C141 H141 120.0 . . ?
C140 C141 C142 120.0 . . ?
C142 C141 H141 120.0 . . ?
C143 C142 H142 120.0 . . ?
C141 C142 C143 120.0 . . ?
C141 C142 H142 120.0 . . ?
C146 C145 C40 122.5(13) . . ?
C146 C145 C150 117.6(12) . . ?
C150 C145 C40 119.8(12) . . ?
C145 C146 H146 119.6 . . ?
C147 C146 C145 120.7(13) . . ?
C147 C146 H146 119.6 . . ?
C146 C147 H147 119.5 . . ?
C148 C147 C146 120.9(13) . . ?
C148 C147 H147 119.5 . . ?
C147 C148 H148 119.9 . . ?
C147 C148 C149 120.1(13) . . ?
C149 C148 H148 119.9 . . ?
C148 C149 H149 120.3 . . ?
C148 C149 C150 119.5(13) . . ?
C150 C149 H149 120.3 . . ?
C145 C150 H150 119.6 . . ?
C149 C150 C145 120.9(12) . . ?
C149 C150 H150 119.6 . . ?
C152 C151 C43 118.6(13) . . ?
C152 C151 C156 119.1(14) . . ?
C156 C151 C43 122.3(13) . . ?
C151 C152 H152 119.8 . . ?
C153 C152 C151 120.3(13) . . ?
C153 C152 H152 119.8 . . ?
C152 C153 H153 119.6 . . ?
C152 C153 C154 120.8(14) . . ?
C154 C153 H153 119.6 . . ?
C153 C154 H154 120.3 . . ?
C155 C154 C153 119.3(15) . . ?
C155 C154 H154 120.3 . . ?
C154 C155 H155 119.5 . . ?
C154 C155 C156 121.1(13) . . ?
C156 C155 H155 119.5 . . ?
C151 C156 C155 119.3(13) . . ?
C151 C156 H156 120.3 . . ?
C155 C156 H156 120.3 . . ?
C203 C157 C45 122.0(9) . . ?
C203 C157 C199 120.0 . . ?
C199 C157 C45 118.0(9) . . ?
C158 C157 C45 121(2) . . ?
C158 C157 C162 124(3) . . ?
C162 C157 C45 105(2) . . ?
C157 C203 H203 120.0 . . ?
C202 C203 C157 120.0 . . ?
C202 C203 H203 120.0 . . ?
C203 C202 H202 120.0 . . ?
C203 C202 C201 120.0 . . ?
C201 C202 H202 120.0 . . ?
C202 C201 H201 120.0 . . ?
C200 C201 C202 120.0 . . ?
C200 C201 H201 120.0 . . ?
C201 C200 H200 120.0 . . ?
C201 C200 C199 120.0 . . ?
C199 C200 H200 120.0 . . ?
C157 C199 H199 120.0 . . ?
C200 C199 C157 120.0 . . ?
C200 C199 H199 120.0 . . ?
C157 C158 H158 121.2 . . ?
C157 C158 C159 118(4) . . ?
C159 C158 H158 121.2 . . ?
C158 C159 H159 118.7 . . ?
C158 C159 C160 123(4) . . ?
C160 C159 H159 118.7 . . ?
C159 C160 H160 121.9 . . ?
C161 C160 C159 116(4) . . ?
C161 C160 H160 121.9 . . ?
C160 C161 H161 120.4 . . ?
C160 C161 C162 119(4) . . ?
C162 C161 H161 120.4 . . ?
C157 C162 H162 122.2 . . ?
C161 C162 C157 116(4) . . ?
C161 C162 H162 122.2 . . ?
P13 Rh4 Cl4 178.14(17) . . ?
P13 Rh4 P14 80.86(14) . . ?
P13 Rh4 P15 81.79(14) . . ?
P13 Rh4 P16 81.53(16) . . ?
P14 Rh4 Cl4 99.11(15) . . ?
P15 Rh4 Cl4 99.82(16) . . ?
P15 Rh4 P14 117.87(15) . . ?
P16 Rh4 Cl4 96.93(17) . . ?
P16 Rh4 P14 120.79(15) . . ?
P16 Rh4 P15 114.72(14) . . ?
O10 P13 Rh4 117.5(4) . . ?
O11 P13 Rh4 116.8(4) . . ?
O11 P13 O10 102.7(6) . . ?
O12 P13 Rh4 116.4(4) . . ?
O12 P13 O10 100.2(5) . . ?
O12 P13 O11 100.4(5) . . ?
C46 P14 Rh4 105.9(5) . . ?
C50 P14 Rh4 152.7(6) . . ?
C50 P14 C46 101.2(7) . . ?
C51 P15 Rh4 151.6(5) . . ?
C51 P15 C55 101.3(7) . . ?
C55 P15 Rh4 106.9(5) . . ?
C56 P16 Rh4 109.7(6) . . ?
C56 P16 C60 100.4(7) . . ?
C60 P16 Rh4 147.0(6) . . ?
C46 O10 P13 116.6(10) . . ?
C55 O11 P13 117.3(10) . . ?
C56 O12 P13 116.9(9) . . ?
C1AA C0AA H0AA 119.7 . . ?
C1AA C0AA C193 120.5(13) . . ?
C193 C0AA H0AA 119.7 . . ?
C0AA C1AA H1AA 119.2 . . ?
C196 C1AA C0AA 121.6(13) . . ?
C196 C1AA H1AA 119.2 . . ?
O10 C46 P14 118.5(11) . . ?
O10 C46 C47 116.2(14) . . ?
C47 C46 P14 125.3(11) . . ?
C46 C47 H47 119.4 . . ?
C48 C47 C46 121.2(16) . . ?
C48 C47 H47 119.4 . . ?
C47 C48 C163 113.6(14) . . ?
C49 C48 C47 122.1(16) . . ?
C49 C48 C163 124.4(13) . . ?
C48 C49 H49 116.5 . . ?
C48 C49 C50 127.1(14) . . ?
C50 C49 H49 116.5 . . ?
C49 C50 P14 123.1(12) . . ?
C49 C50 C169 118.5(12) . . ?
C169 C50 P14 118.4(10) . . ?
C52 C51 P15 122.4(12) . . ?
C52 C51 C175 119.0(13) . . ?
C175 C51 P15 118.6(10) . . ?
C51 C52 H52 115.8 . . ?
C51 C52 C53 128.4(15) . . ?
C53 C52 H52 115.8 . . ?
C52 C53 C54 119.8(14) . . ?
C52 C53 C186 120.1(15) . . ?
C54 C53 C186 120.1(14) . . ?
C53 C54 H54A 107.0 . . ?
C53 C54 H54B 107.0 . . ?
H54A C54 H54B 106.8 . . ?
C55 C54 C53 121.2(14) . . ?
C55 C54 H54A 107.0 . . ?
C55 C54 H54B 107.0 . . ?
O11 C55 P15 117.0(11) . . ?
C54 C55 P15 126.6(12) . . ?
C54 C55 O11 116.4(13) . . ?
O12 C56 P16 114.3(9) . . ?
C57 C56 P16 132.0(13) . . ?
C57 C56 O12 113.7(13) . . ?
C56 C57 H57 121.6 . . ?
C56 C57 C58 116.8(15) . . ?
C58 C57 H57 121.6 . . ?
C57 C58 C187 118.2(13) . . ?
C59 C58 C57 123.0(14) . . ?
C59 C58 C187 118.6(14) . . ?
C58 C59 H59 116.1 . . ?
C58 C59 C60 127.8(15) . . ?
C60 C59 H59 116.1 . . ?
C59 C60 P16 119.5(12) . . ?
C59 C60 C193 120.9(14) . . ?
C193 C60 P16 119.6(11) . . ?
C166 C167 H167 120.0 . . ?
C166 C167 C168 120.0 . . ?
C168 C167 H167 120.0 . . ?
C167 C166 H166 120.0 . . ?
C167 C166 C165 120.0 . . ?
C165 C166 H166 120.0 . . ?
C166 C165 H165 120.0 . . ?
C164 C165 C166 120.0 . . ?
C164 C165 H165 120.0 . . ?
C165 C164 H164 120.0 . . ?
C165 C164 C163 120.0 . . ?
C163 C164 H164 120.0 . . ?
C164 C163 C48 117.6(9) . . ?
C164 C163 C168 120.0 . . ?
C168 C163 C48 122.4(9) . . ?
C167 C168 H168 120.0 . . ?
C163 C168 C167 120.0 . . ?
C163 C168 H168 120.0 . . ?
C169 C170 H170 120.0 . . ?
C169 C170 C171 120.0 . . ?
C171 C170 H170 120.0 . . ?
C170 C169 C50 121.2(8) . . ?
C170 C169 C174 120.0 . . ?
C174 C169 C50 118.8(8) . . ?
C169 C174 H174 120.0 . . ?
C169 C174 C173 120.0 . . ?
C173 C174 H174 120.0 . . ?
C174 C173 H173 120.0 . . ?
C172 C173 C174 120.0 . . ?
C172 C173 H173 120.0 . . ?
C173 C172 H172 120.0 . . ?
C173 C172 C171 120.0 . . ?
C171 C172 H172 120.0 . . ?
C170 C171 H171 120.0 . . ?
C172 C171 C170 120.0 . . ?
C172 C171 H171 120.0 . . ?
C177 C176 H176 120.0 . . ?
C177 C176 C175 120.0 . . ?
C175 C176 H176 120.0 . . ?
C176 C177 H177 120.0 . . ?
C176 C177 C178 120.0 . . ?
C178 C177 H177 120.0 . . ?
C177 C178 H178 120.0 . . ?
C179 C178 C177 120.0 . . ?
C179 C178 H178 120.0 . . ?
C178 C179 H179 120.0 . . ?
C180 C179 C178 120.0 . . ?
C180 C179 H179 120.0 . . ?
C179 C180 H180 120.0 . . ?
C179 C180 C175 120.0 . . ?
C175 C180 H180 120.0 . . ?
C176 C175 C51 120.8(8) . . ?
C180 C175 C51 119.2(8) . . ?
C180 C175 C176 120.0 . . ?
C182 C181 H181 119.6 . . ?
C182 C181 C186 120.7(14) . . ?
C186 C181 H181 119.6 . . ?
C181 C182 H182 118.9 . . ?
C181 C182 C183 122.1(14) . . ?
C183 C182 H182 118.9 . . ?
C182 C183 H183 121.3 . . ?
C184 C183 C182 117.4(13) . . ?
C184 C183 H183 121.3 . . ?
C183 C184 H184 118.6 . . ?
C183 C184 C185 122.8(14) . . ?
C185 C184 H184 118.6 . . ?
C184 C185 H185 120.6 . . ?
C186 C185 C184 118.8(13) . . ?
C186 C185 H185 120.6 . . ?
C181 C186 C53 121.3(13) . . ?
C185 C186 C53 120.5(13) . . ?
C185 C186 C181 118.1(12) . . ?
C188 C187 C58 121.2(13) . . ?
C192 C187 C58 122.0(14) . . ?
C192 C187 C188 116.8(13) . . ?
C187 C188 H188 118.7 . . ?
C189 C188 C187 122.6(13) . . ?
C189 C188 H188 118.7 . . ?
C188 C189 H189 118.8 . . ?
C188 C189 C190 122.4(15) . . ?
C190 C189 H189 118.8 . . ?
C189 C190 H190 122.0 . . ?
C189 C190 C191 116.0(14) . . ?
C191 C190 H190 122.0 . . ?
C190 C191 H191 119.1 . . ?
C190 C191 C192 121.8(13) . . ?
C192 C191 H191 119.1 . . ?
C187 C192 C191 120.4(14) . . ?
C187 C192 H192 119.8 . . ?
C191 C192 H192 119.8 . . ?
C0AA C193 C60 121.7(13) . . ?
C198 C193 C0AA 118.1(12) . . ?
C198 C193 C60 120.2(12) . . ?
C1AA C196 H196 120.7 . . ?
C1AA C196 C197 118.6(13) . . ?
C197 C196 H196 120.7 . . ?
C196 C197 H197 120.2 . . ?
C198 C197 C196 119.6(13) . . ?
C198 C197 H197 120.2 . . ?
C193 C198 H198 119.3 . . ?
C197 C198 C193 121.3(12) . . ?
C197 C198 H198 119.3 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 P1 O1 C1 0.2(11) . . . . ?
Rh1 P1 O2 C10 -12.5(11) . . . . ?
Rh1 P1 O3 C15 0.4(11) . . . . ?
Rh1 P2 C1 O1 -2.7(12) . . . . ?
Rh1 P2 C1 C2 177.7(12) . . . . ?
Rh1 P2 C5 C4 -177.1(7) . . . . ?
Rh1 P2 C5 C61 5.4(18) . . . . ?
Rh1 P3 C11 C12 173.5(9) . . . . ?
Rh1 P3 C11 C79 -6(2) . . . . ?
Rh1 P3 C15 O3 3.9(12) . . . . ?
Rh1 P3 C15 C14 -175.6(13) . . . . ?
Rh1 P4 C6 C7 -160.2(10) . . . . ?
Rh1 P4 C6 C73 21(2) . . . . ?
Rh1 P4 C10 O2 -7.7(12) . . . . ?
Rh1 P4 C10 C9 171.7(12) . . . . ?
P1 O1 C1 P2 1.8(14) . . . . ?
P1 O1 C1 C2 -178.6(10) . . . . ?
P1 O2 C10 P4 12.6(14) . . . . ?
P1 O2 C10 C9 -166.8(12) . . . . ?
P1 O3 C15 P3 -2.9(14) . . . . ?
P1 O3 C15 C14 176.7(11) . . . . ?
P2 C1 C2 C3 -2(2) . . . . ?
P2 C5 C61 C66 -34.0(13) . . . . ?
P2 C5 C61 C62 139.2(8) . . . . ?
P3 C11 C12 C13 0(2) . . . . ?
P3 C11 C79 C80 32(2) . . . . ?
P3 C11 C79 C84 -147.6(13) . . . . ?
P4 C6 C7 C8 -4(3) . . . . ?
P4 C6 C73 C74 44.1(15) . . . . ?
P4 C6 C73 C78 -138.8(9) . . . . ?
O1 P1 O2 C10 118.1(10) . . . . ?
O1 P1 O3 C15 -127.1(10) . . . . ?
O1 C1 C2 C3 178.9(13) . . . . ?
O2 P1 O1 C1 -130.5(10) . . . . ?
O2 P1 O3 C15 129.2(10) . . . . ?
O3 P1 O1 C1 128.3(10) . . . . ?
O3 P1 O2 C10 -141.7(10) . . . . ?
C1 P2 C5 C4 3.4(13) . . . . ?
C1 P2 C5 C61 -174.1(10) . . . . ?
C1 C2 C3 C4 5(2) . . . . ?
C1 C2 C3 C9MA -178.8(12) . . . . ?
C2 C3 C4 C5 -4(2) . . . . ?
C2 C3 C9MA C6LA -45.9(17) . . . . ?
C2 C3 C9MA C0IA 135.4(12) . . . . ?
C3 C4 C5 P2 -1(2) . . . . ?
C3 C4 C5 C61 176.8(13) . . . . ?
C3 C9MA C0IA C8IA 178.7(11) . . . . ?
C4 C3 C9MA C6LA 130.2(11) . . . . ?
C4 C3 C9MA C0IA -48.6(15) . . . . ?
C4 C5 C61 C66 148.5(11) . . . . ?
C4 C5 C61 C62 -38.3(16) . . . . ?
C5 P2 C1 O1 177.0(10) . . . . ?
C5 P2 C1 C2 -2.5(15) . . . . ?
C6 P4 C10 O2 -177.1(11) . . . . ?
C6 P4 C10 C9 2.3(15) . . . . ?
C6 C7 C8 C9 6(3) . . . . ?
C6 C7 C8 C67 -176.5(15) . . . . ?
C6 C73 C78 C77 -177.0(12) . . . . ?
C7 C6 C73 C74 -135.2(12) . . . . ?
C7 C6 C73 C78 41.9(18) . . . . ?
C7 C8 C9 C10 -3(2) . . . . ?
C7 C8 C67 C72 -167.6(11) . . . . ?
C7 C8 C67 C68 17.3(18) . . . . ?
C8 C9 C10 P4 -1(2) . . . . ?
C8 C9 C10 O2 178.8(14) . . . . ?
C8 C67 C72 C71 -175.0(11) . . . . ?
C8 C67 C68 C69 175.1(11) . . . . ?
C8HA C9HA C6LA C9MA 0.0 . . . . ?
C9HA C8HA C8IA C0IA 0.0 . . . . ?
C9HA C6LA C9MA C3 -178.7(11) . . . . ?
C9HA C6LA C9MA C0IA 0.0 . . . . ?
C6LA C9MA C0IA C8IA 0.0 . . . . ?
C9MA C3 C4 C5 179.7(12) . . . . ?
C9MA C0IA C8IA C8HA 0.0 . . . . ?
C8IA C8HA C9HA C6LA 0.0 . . . . ?
C9 C8 C67 C72 10.3(19) . . . . ?
C9 C8 C67 C68 -164.8(12) . . . . ?
C10 P4 C6 C7 -0.4(16) . . . . ?
C10 P4 C6 C73 -179.6(11) . . . . ?
C11 P3 C15 O3 -179.0(11) . . . . ?
C11 P3 C15 C14 1.5(17) . . . . ?
C11 C12 C13 C14 1(3) . . . . ?
C11 C12 C13 C85 -176.2(15) . . . . ?
C11 C79 C80 C81 178.4(14) . . . . ?
C11 C79 C84 C83 -177.9(15) . . . . ?
C12 C11 C79 C80 -147.5(15) . . . . ?
C12 C11 C79 C84 33(2) . . . . ?
C12 C13 C14 C15 -1(2) . . . . ?
C12 C13 C85 C86 -48.0(18) . . . . ?
C12 C13 C85 C90 131.3(13) . . . . ?
C13 C14 C15 P3 -1(2) . . . . ?
C13 C14 C15 O3 179.9(14) . . . . ?
C14 C13 C85 C86 134.6(13) . . . . ?
C14 C13 C85 C90 -46.2(18) . . . . ?
C15 P3 C11 C12 -1.1(15) . . . . ?
C15 P3 C11 C79 179.8(13) . . . . ?
C66 C65 C64 C63 0.0 . . . . ?
C65 C66 C61 C5 173.2(11) . . . . ?
C65 C66 C61 C62 0.0 . . . . ?
C65 C64 C63 C62 0.0 . . . . ?
C64 C63 C62 C61 0.0 . . . . ?
C63 C62 C61 C5 -173.3(11) . . . . ?
C63 C62 C61 C66 0.0 . . . . ?
C61 C66 C65 C64 0.0 . . . . ?
C67 C8 C9 C10 178.8(14) . . . . ?
C67 C72 C71 C70 0.0 . . . . ?
C72 C67 C68 C69 0.0 . . . . ?
C72 C71 C70 C69 0.0 . . . . ?
C71 C70 C69 C68 0.0 . . . . ?
C70 C69 C68 C67 0.0 . . . . ?
C68 C67 C72 C71 0.0 . . . . ?
C76 C75 C74 C73 0.0 . . . . ?
C75 C76 C77 C78 0.0 . . . . ?
C75 C74 C73 C6 177.2(12) . . . . ?
C75 C74 C73 C78 0.0 . . . . ?
C74 C73 C78 C77 0.0 . . . . ?
C73 C6 C7 C8 175.7(14) . . . . ?
C73 C78 C77 C76 0.0 . . . . ?
C77 C76 C75 C74 0.0 . . . . ?
C79 C11 C12 C13 179.0(16) . . . . ?
C79 C80 C81 C82 1(2) . . . . ?
C80 C79 C84 C83 3(2) . . . . ?
C80 C81 C82 C83 0(2) . . . . ?
C81 C82 C83 C84 0(2) . . . . ?
C82 C83 C84 C79 -2(2) . . . . ?
C84 C79 C80 C81 -2(2) . . . . ?
C86 C87 C88 C89 0.0 . . . . ?
C87 C86 C85 C13 179.3(12) . . . . ?
C87 C86 C85 C90 0.0 . . . . ?
C87 C88 C89 C90 0.0 . . . . ?
C88 C89 C90 C85 0.0 . . . . ?
C89 C90 C85 C13 -179.3(12) . . . . ?
C89 C90 C85 C86 0.0 . . . . ?
C85 C13 C14 C15 176.6(13) . . . . ?
C85 C86 C87 C88 0.0 . . . . ?
Rh2 P5 O4 C20 1.0(12) . . . . ?
Rh2 P5 O5 C21 2.9(11) . . . . ?
Rh2 P5 O6 C26 -12.5(11) . . . . ?
Rh2 P6 C16 C17 -177.9(7) . . . . ?
Rh2 P6 C16 C91 3.7(19) . . . . ?
Rh2 P6 C20 O4 -1.8(12) . . . . ?
Rh2 P6 C20 C19 177.0(12) . . . . ?
Rh2 P7 C21 O5 4.4(12) . . . . ?
Rh2 P7 C21 C22 -175.5(15) . . . . ?
Rh2 P7 C25 C24 174.8(8) . . . . ?
Rh2 P7 C25 C1HA -5(2) . . . . ?
Rh2 P7 C25 C109 -23(2) . . . . ?
Rh2 P8 C26 O6 -7.2(11) . . . . ?
Rh2 P8 C26 C27 170.5(11) . . . . ?
Rh2 P8 C30 C29 -160.8(9) . . . . ?
Rh2 P8 C30 C115 23.0(18) . . . . ?
P5 O4 C20 P6 0.6(15) . . . . ?
P5 O4 C20 C19 -178.3(10) . . . . ?
P5 O5 C21 P7 -4.8(14) . . . . ?
P5 O5 C21 C22 175.1(12) . . . . ?
P5 O6 C26 P8 12.5(13) . . . . ?
P5 O6 C26 C27 -165.4(10) . . . . ?
P6 C16 C17 C18 -2(2) . . . . ?
P6 C16 C91 C92 137.2(12) . . . . ?
P6 C16 C91 C96 -33.3(18) . . . . ?
P7 C21 C22 C23 -1(3) . . . . ?
P7 C25 C1HA C9KA -149.1(10) . . . . ?
P7 C25 C1HA C5KA 30.1(16) . . . . ?
P7 C25 C109 C114 45(2) . . . . ?
P7 C25 C109 C110 -157.7(19) . . . . ?
P8 C26 C27 C28 1(2) . . . . ?
P8 C30 C115 C120 -142.1(8) . . . . ?
P8 C30 C115 C116 39.6(14) . . . . ?
O4 P5 O5 C21 -125.0(10) . . . . ?
O4 P5 O6 C26 117.0(9) . . . . ?
O5 P5 O4 C20 129.9(10) . . . . ?
O5 P5 O6 C26 -140.8(9) . . . . ?
O5 C21 C22 C23 179.3(14) . . . . ?
O6 P5 O4 C20 -128.7(10) . . . . ?
O6 P5 O5 C21 130.3(10) . . . . ?
O6 C26 C27 C28 178.6(12) . . . . ?
C16 P6 C20 O4 176.7(11) . . . . ?
C16 P6 C20 C19 -4.6(15) . . . . ?
C16 C17 C18 C19 -3(2) . . . . ?
C16 C17 C18 C97 179.5(14) . . . . ?
C16 C91 C92 C93 -173.5(14) . . . . ?
C16 C91 C96 C95 171.6(14) . . . . ?
C17 C16 C91 C92 -41(2) . . . . ?
C17 C16 C91 C96 148.3(14) . . . . ?
C17 C18 C19 C20 4(2) . . . . ?
C17 C18 C97 C98 -47(2) . . . . ?
C17 C18 C97 C102 132.8(15) . . . . ?
C18 C19 C20 P6 1(2) . . . . ?
C18 C19 C20 O4 179.2(13) . . . . ?
C18 C97 C98 C99 -178.9(15) . . . . ?
C18 C97 C102 C101 -177.4(14) . . . . ?
C19 C18 C97 C98 135.8(16) . . . . ?
C19 C18 C97 C102 -45(2) . . . . ?
C20 P6 C16 C17 5.1(14) . . . . ?
C20 P6 C16 C91 -173.3(12) . . . . ?
C21 P7 C25 C24 0.8(15) . . . . ?
C21 P7 C25 C1HA -179.2(13) . . . . ?
C21 P7 C25 C109 163.2(18) . . . . ?
C21 C22 C23 C24 -2(3) . . . . ?
C21 C22 C23 C103 175.3(14) . . . . ?
C22 C23 C24 C25 5(3) . . . . ?
C22 C23 C103 C104 -43(2) . . . . ?
C22 C23 C103 C108 136.8(14) . . . . ?
C23 C24 C25 P7 -4(3) . . . . ?
C23 C24 C25 C1HA 176.1(18) . . . . ?
C23 C24 C25 C109 -160(3) . . . . ?
C23 C103 C108 C107 179.8(12) . . . . ?
C24 C23 C103 C104 133.7(14) . . . . ?
C24 C23 C103 C108 -46.1(19) . . . . ?
C24 C25 C1HA C9KA 31(2) . . . . ?
C24 C25 C1HA C5KA -149.9(15) . . . . ?
C24 C25 C109 C114 -158(2) . . . . ?
C24 C25 C109 C110 -1(4) . . . . ?
C25 P7 C21 O5 -178.9(11) . . . . ?
C25 P7 C21 C22 1.2(18) . . . . ?
C25 C1HA C5KA C8KA -179.2(14) . . . . ?
C26 P8 C30 C29 -2.4(14) . . . . ?
C26 P8 C30 C115 -178.6(10) . . . . ?
C26 C27 C28 C29 -4(2) . . . . ?
C26 C27 C28 C121 176.2(13) . . . . ?
C27 C28 C29 C30 3(2) . . . . ?
C27 C28 C121 C122 -165.7(13) . . . . ?
C27 C28 C121 C126 13(2) . . . . ?
C28 C29 C30 P8 0(2) . . . . ?
C28 C29 C30 C115 176.4(13) . . . . ?
C28 C121 C122 C123 176.1(12) . . . . ?
C28 C121 C126 C125 -176.7(13) . . . . ?
C29 C28 C121 C122 14.2(19) . . . . ?
C29 C28 C121 C126 -167.5(13) . . . . ?
C29 C30 C115 C120 41.5(15) . . . . ?
C29 C30 C115 C116 -136.8(11) . . . . ?
C30 P8 C26 O6 -175.7(10) . . . . ?
C30 P8 C26 C27 1.9(13) . . . . ?
C91 C16 C17 C18 176.0(14) . . . . ?
C91 C92 C93 C94 1(2) . . . . ?
C92 C91 C96 C95 0.9(19) . . . . ?
C92 C93 C94 C95 2(2) . . . . ?
C93 C94 C95 C96 -4(2) . . . . ?
C94 C95 C96 C91 2(2) . . . . ?
C96 C91 C92 C93 -2.7(19) . . . . ?
C97 C18 C19 C20 -178.6(13) . . . . ?
C97 C98 C99 C100 -4(2) . . . . ?
C98 C97 C102 C101 2(2) . . . . ?
C98 C99 C100 C101 3(2) . . . . ?
C99 C100 C101 C102 1(2) . . . . ?
C100 C101 C102 C97 -3(2) . . . . ?
C102 C97 C98 C99 2(2) . . . . ?
C104 C103 C108 C107 0.0 . . . . ?
C103 C23 C24 C25 -172.5(17) . . . . ?
C103 C104 C105 C106 0.0 . . . . ?
C103 C108 C107 C106 0.0 . . . . ?
C108 C107 C106 C105 0.0 . . . . ?
C107 C106 C105 C104 0.0 . . . . ?
C105 C104 C103 C23 -179.8(13) . . . . ?
C105 C104 C103 C108 0.0 . . . . ?
C120 C119 C118 C117 0.0 . . . . ?
C119 C120 C115 C30 -178.3(11) . . . . ?
C119 C120 C115 C116 0.0 . . . . ?
C119 C118 C117 C116 0.0 . . . . ?
C118 C117 C116 C115 0.0 . . . . ?
C117 C116 C115 C30 178.3(11) . . . . ?
C117 C116 C115 C120 0.0 . . . . ?
C115 C120 C119 C118 0.0 . . . . ?
C121 C28 C29 C30 -176.7(13) . . . . ?
C121 C122 C123 C124 1.6(19) . . . . ?
C122 C121 C126 C125 1.7(19) . . . . ?
C122 C123 C124 C125 -0.1(19) . . . . ?
C123 C124 C125 C126 -1(2) . . . . ?
C124 C125 C126 C121 0(2) . . . . ?
C126 C121 C122 C123 -2.4(18) . . . . ?
C7JA C9KA C1HA C25 179.2(15) . . . . ?
C7JA C9KA C1HA C5KA 0.0 . . . . ?
C9KA C7JA C4AA C8KA 0.0 . . . . ?
C9KA C1HA C5KA C8KA 0.0 . . . . ?
C1HA C5KA C8KA C4AA 0.0 . . . . ?
C5KA C8KA C4AA C7JA 0.0 . . . . ?
C4AA C7JA C9KA C1HA 0.0 . . . . ?
C114 C113 C112 C111 0.0 . . . . ?
C113 C114 C109 C25 160(3) . . . . ?
C113 C114 C109 C110 0.0 . . . . ?
C113 C112 C111 C110 0.0 . . . . ?
C112 C111 C110 C109 0.0 . . . . ?
C111 C110 C109 C25 -156(3) . . . . ?
C111 C110 C109 C114 0.0 . . . . ?
C109 C114 C113 C112 0.0 . . . . ?
Rh3 P9 O7 C35 2.2(12) . . . . ?
Rh3 P9 O8 C36 11.1(11) . . . . ?
Rh3 P9 O9 C41 -5.3(12) . . . . ?
Rh3 P10 C31 C32 177.0(9) . . . . ?
Rh3 P10 C31 C133 -5(2) . . . . ?
Rh3 P10 C35 O7 3.6(12) . . . . ?
Rh3 P10 C35 C34 -177.4(13) . . . . ?
Rh3 P11 C36 O8 8.9(12) . . . . ?
Rh3 P11 C36 C37 -173.6(14) . . . . ?
Rh3 P11 C40 C39 159.1(9) . . . . ?
Rh3 P11 C40 C145 -19.9(19) . . . . ?
Rh3 P12 C41 O9 -7.1(12) . . . . ?
Rh3 P12 C41 C42 175.6(12) . . . . ?
Rh3 P12 C45 C44 -172.5(9) . . . . ?
Rh3 P12 C45 C157 8.3(19) . . . . ?
P9 O7 C35 P10 -3.9(16) . . . . ?
P9 O7 C35 C34 177.1(10) . . . . ?
P9 O8 C36 P11 -12.8(14) . . . . ?
P9 O8 C36 C37 169.3(12) . . . . ?
P9 O9 C41 P12 8.1(15) . . . . ?
P9 O9 C41 C42 -174.3(10) . . . . ?
P10 C31 C32 C33 5(2) . . . . ?
P10 C31 C133 C138 36.3(14) . . . . ?
P10 C31 C133 C134 -145.3(9) . . . . ?
P11 C36 C37 C38 7(2) . . . . ?
P11 C40 C145 C146 -37(2) . . . . ?
P11 C40 C145 C150 143.5(13) . . . . ?
P12 C41 C42 C43 1(2) . . . . ?
P12 C45 C157 C203 -32.8(13) . . . . ?
P12 C45 C157 C199 147.8(8) . . . . ?
P12 C45 C157 C158 66(3) . . . . ?
P12 C45 C157 C162 -147.7(19) . . . . ?
O7 P9 O8 C36 -116.4(10) . . . . ?
O7 P9 O9 C41 122.6(11) . . . . ?
O8 P9 O7 C35 129.5(10) . . . . ?
O8 P9 O9 C41 -132.5(10) . . . . ?
O8 C36 C37 C38 -175.5(14) . . . . ?
O9 P9 O7 C35 -125.9(11) . . . . ?
O9 P9 O8 C36 138.9(10) . . . . ?
O9 C41 C42 C43 -176.1(14) . . . . ?
C31 P10 C35 O7 -175.2(11) . . . . ?
C31 P10 C35 C34 3.7(16) . . . . ?
C31 C32 C33 C34 -2(3) . . . . ?
C31 C32 C33 C132 178.4(14) . . . . ?
C31 C133 C134 C135 -178.4(11) . . . . ?
C32 C31 C133 C138 -145.8(12) . . . . ?
C32 C31 C133 C134 32.6(17) . . . . ?
C32 C33 C34 C35 0(2) . . . . ?
C32 C33 C132 C127 -129.7(16) . . . . ?
C32 C33 C132 C131 44(2) . . . . ?
C33 C34 C35 P10 -2(2) . . . . ?
C33 C34 C35 O7 177.3(13) . . . . ?
C34 C33 C132 C127 51(2) . . . . ?
C34 C33 C132 C131 -135.2(15) . . . . ?
C35 P10 C31 C32 -5.3(15) . . . . ?
C35 P10 C31 C133 172.6(11) . . . . ?
C36 P11 C40 C39 2.8(15) . . . . ?
C36 P11 C40 C145 -176.1(12) . . . . ?
C36 C37 C38 C39 -2(2) . . . . ?
C36 C37 C38 C139 -175.2(14) . . . . ?
C37 C38 C39 C40 -2(3) . . . . ?
C37 C38 C139 C144 161.1(12) . . . . ?
C37 C38 C139 C140 -20.1(18) . . . . ?
C38 C39 C40 P11 1(3) . . . . ?
C38 C39 C40 C145 179.5(16) . . . . ?
C38 C139 C140 C141 -178.8(11) . . . . ?
C39 C38 C139 C144 -12.3(18) . . . . ?
C39 C38 C139 C140 166.6(12) . . . . ?
C39 C40 C145 C146 144.6(16) . . . . ?
C39 C40 C145 C150 -35(2) . . . . ?
C40 P11 C36 O8 175.6(10) . . . . ?
C40 P11 C36 C37 -6.9(17) . . . . ?
C40 C145 C146 C147 -180.0(16) . . . . ?
C40 C145 C150 C149 -179.1(15) . . . . ?
C41 P12 C45 C44 -0.7(14) . . . . ?
C41 P12 C45 C157 -179.9(10) . . . . ?
C41 C42 C43 C44 -1(2) . . . . ?
C41 C42 C43 C151 -179.1(13) . . . . ?
C42 C43 C44 C45 -1(3) . . . . ?
C42 C43 C151 C152 52.4(19) . . . . ?
C42 C43 C151 C156 -127.9(15) . . . . ?
C43 C44 C45 P12 1(2) . . . . ?
C43 C44 C45 C157 -179.4(13) . . . . ?
C43 C151 C152 C153 -179.6(13) . . . . ?
C43 C151 C156 C155 179.5(12) . . . . ?
C44 C43 C151 C152 -126.3(15) . . . . ?
C44 C43 C151 C156 54(2) . . . . ?
C44 C45 C157 C203 147.9(11) . . . . ?
C44 C45 C157 C199 -31.4(16) . . . . ?
C44 C45 C157 C158 -113(3) . . . . ?
C44 C45 C157 C162 33(2) . . . . ?
C45 P12 C41 O9 176.8(11) . . . . ?
C45 P12 C41 C42 -0.5(15) . . . . ?
C45 C157 C203 C202 -179.4(11) . . . . ?
C45 C157 C199 C200 179.4(11) . . . . ?
C45 C157 C158 C159 164(3) . . . . ?
C45 C157 C162 C161 -172(3) . . . . ?
C127 C128 C129 C130 2(2) . . . . ?
C128 C127 C132 C33 174.2(14) . . . . ?
C128 C127 C132 C131 0(2) . . . . ?
C128 C129 C130 C131 -1(2) . . . . ?
C129 C130 C131 C132 -1(2) . . . . ?
C130 C131 C132 C33 -173.2(14) . . . . ?
C130 C131 C132 C127 0.8(19) . . . . ?
C132 C33 C34 C35 179.5(13) . . . . ?
C132 C127 C128 C129 -2(2) . . . . ?
C137 C138 C133 C31 178.4(11) . . . . ?
C137 C138 C133 C134 0.0 . . . . ?
C138 C137 C136 C135 0.0 . . . . ?
C138 C133 C134 C135 0.0 . . . . ?
C133 C31 C32 C33 -172.5(14) . . . . ?
C133 C134 C135 C136 0.0 . . . . ?
C134 C135 C136 C137 0.0 . . . . ?
C136 C137 C138 C133 0.0 . . . . ?
C143 C144 C139 C38 178.8(11) . . . . ?
C143 C144 C139 C140 0.0 . . . . ?
C144 C143 C142 C141 0.0 . . . . ?
C144 C139 C140 C141 0.0 . . . . ?
C139 C38 C39 C40 171.5(15) . . . . ?
C139 C140 C141 C142 0.0 . . . . ?
C140 C141 C142 C143 0.0 . . . . ?
C142 C143 C144 C139 0.0 . . . . ?
C145 C146 C147 C148 2(2) . . . . ?
C146 C145 C150 C149 1(2) . . . . ?
C146 C147 C148 C149 -5(2) . . . . ?
C147 C148 C149 C150 6(2) . . . . ?
C148 C149 C150 C145 -4(2) . . . . ?
C150 C145 C146 C147 0(2) . . . . ?
C151 C43 C44 C45 177.8(14) . . . . ?
C151 C152 C153 C154 -1(2) . . . . ?
C152 C151 C156 C155 -0.7(19) . . . . ?
C152 C153 C154 C155 1(2) . . . . ?
C153 C154 C155 C156 -1(2) . . . . ?
C154 C155 C156 C151 1.2(19) . . . . ?
C156 C151 C152 C153 0.6(19) . . . . ?
C157 C203 C202 C201 0.0 . . . . ?
C157 C158 C159 C160 -7(7) . . . . ?
C203 C157 C199 C200 0.0 . . . . ?
C203 C202 C201 C200 0.0 . . . . ?
C202 C201 C200 C199 0.0 . . . . ?
C201 C200 C199 C157 0.0 . . . . ?
C199 C157 C203 C202 0.0 . . . . ?
C158 C157 C162 C161 -26(6) . . . . ?
C158 C159 C160 C161 -9(7) . . . . ?
C159 C160 C161 C162 6(7) . . . . ?
C160 C161 C162 C157 9(6) . . . . ?
C162 C157 C158 C159 24(6) . . . . ?
Rh4 P13 O10 C46 -5.9(12) . . . . ?
Rh4 P13 O11 C55 4.7(12) . . . . ?
Rh4 P13 O12 C56 9.7(11) . . . . ?
Rh4 P14 C46 O10 -6.8(13) . . . . ?
Rh4 P14 C46 C47 174.7(12) . . . . ?
Rh4 P14 C50 C49 -172.0(9) . . . . ?
Rh4 P14 C50 C169 7(2) . . . . ?
Rh4 P15 C51 C52 178.8(8) . . . . ?
Rh4 P15 C51 C175 -3(2) . . . . ?
Rh4 P15 C55 O11 4.5(12) . . . . ?
Rh4 P15 C55 C54 -177.9(12) . . . . ?
Rh4 P16 C56 O12 8.7(12) . . . . ?
Rh4 P16 C56 C57 -173.8(14) . . . . ?
Rh4 P16 C60 C59 158.8(9) . . . . ?
Rh4 P16 C60 C193 -22(2) . . . . ?
P13 O10 C46 P14 8.3(15) . . . . ?
P13 O10 C46 C47 -173.0(10) . . . . ?
P13 O11 C55 P15 -6.1(16) . . . . ?
P13 O11 C55 C54 176.1(10) . . . . ?
P13 O12 C56 P16 -11.9(14) . . . . ?
P13 O12 C56 C57 170.2(11) . . . . ?
P14 C46 C47 C48 2(2) . . . . ?
P14 C50 C169 C170 -32.1(14) . . . . ?
P14 C50 C169 C174 149.2(8) . . . . ?
P15 C51 C52 C53 6(2) . . . . ?
P15 C51 C175 C176 36.2(14) . . . . ?
P15 C51 C175 C180 -143.8(8) . . . . ?
P16 C56 C57 C58 7(2) . . . . ?
P16 C60 C193 C0AA -34(2) . . . . ?
P16 C60 C193 C198 143.2(12) . . . . ?
O10 P13 O11 C55 -125.4(10) . . . . ?
O10 P13 O12 C56 137.6(9) . . . . ?
O10 C46 C47 C48 -176.8(14) . . . . ?
O11 P13 O10 C46 123.8(10) . . . . ?
O11 P13 O12 C56 -117.3(10) . . . . ?
O12 P13 O10 C46 -133.0(10) . . . . ?
O12 P13 O11 C55 131.5(11) . . . . ?
O12 C56 C57 C58 -175.3(12) . . . . ?
C0AA C1AA C196 C197 -2(2) . . . . ?
C0AA C193 C198 C197 1(2) . . . . ?
C1AA C0AA C193 C60 179.2(14) . . . . ?
C1AA C0AA C193 C198 2(2) . . . . ?
C1AA C196 C197 C198 5(2) . . . . ?
C46 P14 C50 C49 2.7(15) . . . . ?
C46 P14 C50 C169 -178.7(11) . . . . ?
C46 C47 C48 C49 0(2) . . . . ?
C46 C47 C48 C163 179.6(13) . . . . ?
C47 C48 C49 C50 0(3) . . . . ?
C47 C48 C163 C164 55.4(15) . . . . ?
C47 C48 C163 C168 -125.6(12) . . . . ?
C48 C49 C50 P14 -2(2) . . . . ?
C48 C49 C50 C169 179.7(14) . . . . ?
C48 C163 C168 C167 -179.0(12) . . . . ?
C49 C48 C163 C164 -125.1(14) . . . . ?
C49 C48 C163 C168 53.9(19) . . . . ?
C49 C50 C169 C170 146.6(11) . . . . ?
C49 C50 C169 C174 -32.1(16) . . . . ?
C50 P14 C46 O10 175.7(11) . . . . ?
C50 P14 C46 C47 -2.8(15) . . . . ?
C50 C169 C174 C173 178.7(10) . . . . ?
C51 P15 C55 O11 -173.2(11) . . . . ?
C51 P15 C55 C54 4.4(15) . . . . ?
C51 C52 C53 C54 -2(3) . . . . ?
C51 C52 C53 C186 178.9(15) . . . . ?
C52 C51 C175 C176 -145.8(12) . . . . ?
C52 C51 C175 C180 34.2(17) . . . . ?
C52 C53 C54 C55 0(2) . . . . ?
C52 C53 C186 C181 -129.3(17) . . . . ?
C52 C53 C186 C185 45(2) . . . . ?
C53 C54 C55 P15 -2(2) . . . . ?
C53 C54 C55 O11 175.7(14) . . . . ?
C54 C53 C186 C181 52(2) . . . . ?
C54 C53 C186 C185 -133.7(16) . . . . ?
C55 P15 C51 C52 -5.8(15) . . . . ?
C55 P15 C51 C175 172.1(10) . . . . ?
C56 P16 C60 C59 2.7(15) . . . . ?
C56 P16 C60 C193 -178.1(13) . . . . ?
C56 C57 C58 C59 -1(2) . . . . ?
C56 C57 C58 C187 -177.1(13) . . . . ?
C57 C58 C59 C60 -2(3) . . . . ?
C57 C58 C187 C188 160.9(13) . . . . ?
C57 C58 C187 C192 -19(2) . . . . ?
C58 C59 C60 P16 1(2) . . . . ?
C58 C59 C60 C193 -178.0(15) . . . . ?
C58 C187 C188 C189 179.2(13) . . . . ?
C58 C187 C192 C191 179.3(13) . . . . ?
C59 C58 C187 C188 -15(2) . . . . ?
C59 C58 C187 C192 165.6(14) . . . . ?
C59 C60 C193 C0AA 145.3(15) . . . . ?
C59 C60 C193 C198 -38(2) . . . . ?
C60 P16 C56 O12 175.2(10) . . . . ?
C60 P16 C56 C57 -7.4(17) . . . . ?
C60 C193 C198 C197 -176.1(14) . . . . ?
C167 C166 C165 C164 0.0 . . . . ?
C166 C167 C168 C163 0.0 . . . . ?
C166 C165 C164 C163 0.0 . . . . ?
C165 C164 C163 C48 179.0(11) . . . . ?
C165 C164 C163 C168 0.0 . . . . ?
C164 C163 C168 C167 0.0 . . . . ?
C163 C48 C49 C50 -179.6(14) . . . . ?
C168 C167 C166 C165 0.0 . . . . ?
C170 C169 C174 C173 0.0 . . . . ?
C169 C170 C171 C172 0.0 . . . . ?
C169 C174 C173 C172 0.0 . . . . ?
C174 C173 C172 C171 0.0 . . . . ?
C173 C172 C171 C170 0.0 . . . . ?
C171 C170 C169 C50 -178.7(10) . . . . ?
C171 C170 C169 C174 0.0 . . . . ?
C176 C177 C178 C179 0.0 . . . . ?
C177 C176 C175 C51 180.0(11) . . . . ?
C177 C176 C175 C180 0.0 . . . . ?
C177 C178 C179 C180 0.0 . . . . ?
C178 C179 C180 C175 0.0 . . . . ?
C179 C180 C175 C51 -180.0(10) . . . . ?
C179 C180 C175 C176 0.0 . . . . ?
C175 C51 C52 C53 -172.4(14) . . . . ?
C175 C176 C177 C178 0.0 . . . . ?
C181 C182 C183 C184 3(2) . . . . ?
C182 C181 C186 C53 174.5(16) . . . . ?
C182 C181 C186 C185 0(2) . . . . ?
C182 C183 C184 C185 -2(2) . . . . ?
C183 C184 C185 C186 0(2) . . . . ?
C184 C185 C186 C53 -173.9(15) . . . . ?
C184 C185 C186 C181 1(2) . . . . ?
C186 C53 C54 C55 179.1(14) . . . . ?
C186 C181 C182 C183 -2(2) . . . . ?
C187 C58 C59 C60 173.1(15) . . . . ?
C187 C188 C189 C190 1(2) . . . . ?
C188 C187 C192 C191 -0.2(19) . . . . ?
C188 C189 C190 C191 1(2) . . . . ?
C189 C190 C191 C192 -2(2) . . . . ?
C190 C191 C192 C187 2(2) . . . . ?
C192 C187 C188 C189 -1(2) . . . . ?
C193 C0AA C1AA C196 -1(2) . . . . ?
C196 C197 C198 C193 -5(2) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.377 -0.446 -0.351 2875.9 638.9 ?

_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 1.247
_oxdiff_exptl_absorpt_empirical_full_min 0.524
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.499(17)
2 0.501(17)

####################################################################### 
# 
# 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_6
_database_code_depnum_ccdc_archive 'CCDC 2302404'
loop_
_audit_author_name
_audit_author_address
'Zhongshu Li'
;Lehn Institute of Functional Materials (LIFM), School of Chemistry, Sun Yat Sen University
China
;
_audit_update_record             
;
2023-10-20 deposited with the CCDC.	2024-02-21 downloaded from the CCDC.
;
_audit_creation_date             2023-09-15
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C52 H36 O4 P4 Rh, C32 H12 B F24'
_chemical_formula_sum            'C84 H48 B F24 O4 P4 Rh'
_chemical_formula_weight         1814.82
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   12.6282(8)
_cell_length_b                   15.4080(9)
_cell_length_c                   21.6077(12)
_cell_angle_alpha                77.086(5)
_cell_angle_beta                 73.804(5)
_cell_angle_gamma                84.818(5)
_cell_volume                     3933.6(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    12904
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      29.9180
_cell_measurement_theta_min      2.6220
_shelx_estimated_absorpt_T_max   0.854
_shelx_estimated_absorpt_T_min   0.823
_exptl_absorpt_coefficient_mu    0.407
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.53102
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.28b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear orangish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   orangish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.532
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1820
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.4
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0567
_diffrn_reflns_av_unetI/netI     0.0619
_diffrn_reflns_Laue_measured_fraction_full 0.972
_diffrn_reflns_Laue_measured_fraction_max 0.834
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            59159
_diffrn_reflns_point_group_measured_fraction_full 0.972
_diffrn_reflns_point_group_measured_fraction_max 0.834
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.157
_diffrn_reflns_theta_min         2.714
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.834
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -8.00  18.00   0.50  100.00    --    0.00  38.00  90.00   52
  2  ω     -4.00  43.00   0.50  100.00    --    0.00  57.00 -30.00   94
  3  ω     53.00  81.00   0.50  100.00    --    0.00  57.00 -30.00   56
  4  ω    -21.00  25.00   0.50  100.00    --    0.00  57.00-120.00   92
  5  ω    -79.00 -53.00   0.50  100.00    --    0.00 -82.00-150.00   52
  6  ω    -13.00  29.00   0.50  100.00    --    0.00 -82.00-150.00   84
  7  ω    -14.00  12.00   0.50  100.00    --    0.00  57.00 -60.00   52
  8  ω     54.00  89.00   0.50  100.00    --    0.00  57.00 -60.00   70
  9  ω     15.00  42.00   0.50  100.00    --    0.00  57.00-150.00   54
 10  ω      8.00  83.00   0.50  100.00    --    0.00  19.00  30.00  150
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa dual offset/far'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0039650000
_diffrn_orient_matrix_UB_12      -0.0383517000
_diffrn_orient_matrix_UB_13      -0.0121763000
_diffrn_orient_matrix_UB_21      -0.0565808000
_diffrn_orient_matrix_UB_22      -0.0028310000
_diffrn_orient_matrix_UB_23      0.0175204000
_diffrn_orient_matrix_UB_31      -0.0143854000
_diffrn_orient_matrix_UB_32      0.0274536000
_diffrn_orient_matrix_UB_33      -0.0276716000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14553
_reflns_number_total             19422
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.28b (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  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.995
_refine_diff_density_min         -0.710
_refine_diff_density_rms         0.085
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1090
_refine_ls_number_reflns         19422
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.0699
_refine_ls_R_factor_gt           0.0456
_refine_ls_restrained_S_all      1.035
_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)+(0.0508P)²+3.2439P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1057
_refine_ls_wR_factor_ref         0.1180
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C46) \\sim Ueq, Uanis(C45) \\sim Ueq, Uanis(C44) \\sim Ueq, Uanis(C43)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3. Others
 Fixed Sof: F18(0.4) F21(0.4) F24(0.4) F25(0.33333) F28(0.33333) F31(0.33333)
 F35(0.5) F39(0.5) F41(0.5) F17(0.4) F20(0.4) F23(0.4) F27(0.33333)
 F30(0.33333) F33(0.33333) F36(0.25) F38(0.25) F42(0.25) F16(0.2) F19(0.2)
 F22(0.2) F26(0.33333) F29(0.33333) F32(0.33333) F34(0.25) F37(0.25) F40(0.25)
4.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C8(H8), C9(H9), C10(H10), C11(H11), C12(H12), C14(H14),
 C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C22(H22), C25(H25), C26(H26),
  C27(H27), C28(H28), C29(H29), C31(H31), C32(H32), C33(H33), C34(H34),
 C35(H35), C38(H38), C40(H40), C42(H42), C43(H43), C44(H44), C45(H45), C46(H46),
  C48(H48), C49(H49), C50(H50), C51(H51), C52(H52), C54(H54), C56(H56),
 C58(H58), C62(H62), C64(H64), C66(H66), C70(H70), C72(H72), C74(H74), C77(H77),
  C79(H79), C81(H81)
;
_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 0.63829(2) 0.37568(2) 0.25282(2) 0.01924(6) Uani 1 1 d . . . . .
P1 P 0.58049(5) 0.51580(4) 0.22828(3) 0.01939(12) Uani 1 1 d . . . . .
P2 P 0.53940(6) 0.39594(4) 0.35594(3) 0.02488(14) Uani 1 1 d . . . . .
P3 P 0.54184(6) 0.36275(4) 0.17853(3) 0.02172(13) Uani 1 1 d . . . . .
P4 P 0.80885(5) 0.44200(4) 0.20423(3) 0.02014(13) Uani 1 1 d . . . . .
O1 O 0.51555(18) 0.56064(11) 0.28842(9) 0.0310(4) Uani 1 1 d . . . . .
O2 O 0.49596(16) 0.53450(11) 0.18381(10) 0.0278(4) Uani 1 1 d . . . . .
O3 O 0.67482(15) 0.58580(10) 0.18854(9) 0.0238(4) Uani 1 1 d . . . . .
O4 O 0.7104(2) 0.17821(14) 0.29462(13) 0.0496(6) Uani 1 1 d . . . . .
C1 C 0.4823(2) 0.50317(16) 0.35062(13) 0.0259(5) Uani 1 1 d . . . . .
C2 C 0.4097(2) 0.53643(17) 0.40055(13) 0.0268(5) Uani 1 1 d . . . . .
H2 H 0.3849 0.5969 0.3919 0.032 Uiso 1 1 calc R U . . .
C3 C 0.3707(2) 0.48414(17) 0.46425(13) 0.0251(5) Uani 1 1 d . . . . .
C4 C 0.4070(2) 0.39530(18) 0.47927(13) 0.0278(5) Uani 1 1 d . . . . .
H4 H 0.3769 0.3636 0.5230 0.033 Uiso 1 1 calc R U . . .
C5 C 0.4828(2) 0.34776(17) 0.43724(13) 0.0251(5) Uani 1 1 d . . . . .
C6 C 0.6851(2) 0.24971(17) 0.27932(13) 0.0279(6) Uani 1 1 d . . . . .
C7 C 1.0073(2) 0.34344(16) 0.19158(13) 0.0250(5) Uani 1 1 d . . . . .
C8 C 0.9663(3) 0.26898(17) 0.18008(16) 0.0343(6) Uani 1 1 d . . . . .
H8 H 0.9012 0.2746 0.1655 0.041 Uiso 1 1 calc R U . . .
C9 C 1.0211(3) 0.1862(2) 0.19002(19) 0.0484(9) Uani 1 1 d . . . . .
H9 H 0.9927 0.1356 0.1825 0.058 Uiso 1 1 calc R U . . .
C10 C 1.1167(3) 0.1777(2) 0.21076(18) 0.0497(9) Uani 1 1 d . . . . .
H10 H 1.1540 0.1214 0.2172 0.060 Uiso 1 1 calc R U . . .
C11 C 1.1575(3) 0.2506(2) 0.22201(16) 0.0443(8) Uani 1 1 d . . . . .
H11 H 1.2232 0.2446 0.2360 0.053 Uiso 1 1 calc R U . . .
C12 C 1.1034(3) 0.33325(18) 0.21304(14) 0.0321(6) Uani 1 1 d . . . . .
H12 H 1.1318 0.3831 0.2215 0.039 Uiso 1 1 calc R U . . .
C13 C 1.0611(2) 0.66682(16) 0.09928(14) 0.0257(5) Uani 1 1 d . . . . .
C14 C 1.1595(2) 0.66509(19) 0.11699(16) 0.0326(6) Uani 1 1 d . . . . .
H14 H 1.1729 0.6196 0.1519 0.039 Uiso 1 1 calc R U . . .
C15 C 1.2385(3) 0.7292(2) 0.08410(18) 0.0412(7) Uani 1 1 d . . . . .
H15 H 1.3050 0.7270 0.0968 0.049 Uiso 1 1 calc R U . . .
C16 C 1.2206(3) 0.7963(2) 0.03292(19) 0.0451(8) Uani 1 1 d . . . . .
H16 H 1.2750 0.8392 0.0099 0.054 Uiso 1 1 calc R U . . .
C17 C 1.1220(3) 0.7994(2) 0.01602(18) 0.0420(7) Uani 1 1 d . . . . .
H17 H 1.1085 0.8456 -0.0185 0.050 Uiso 1 1 calc R U . . .
C18 C 1.0420(3) 0.73574(17) 0.04899(15) 0.0320(6) Uani 1 1 d . . . . .
H18 H 0.9745 0.7394 0.0371 0.038 Uiso 1 1 calc R U . . .
C19 C 0.4800(2) 0.46568(15) 0.15457(13) 0.0224(5) Uani 1 1 d . . . . .
C20 C 0.4136(2) 0.48476(16) 0.11266(13) 0.0244(5) Uani 1 1 d . . . . .
H20 H 0.3821 0.5431 0.1044 0.029 Uiso 1 1 calc R U . . .
C21 C 0.3906(2) 0.42075(16) 0.08158(13) 0.0236(5) Uani 1 1 d . . . . .
C22 C 0.4389(2) 0.33457(16) 0.08953(13) 0.0252(5) Uani 1 1 d . . . . .
H22 H 0.4229 0.2961 0.0648 0.030 Uiso 1 1 calc R U . . .
C23 C 0.5081(2) 0.29956(15) 0.13011(13) 0.0218(5) Uani 1 1 d . . . . .
C24 C 0.5521(2) 0.20612(16) 0.13394(13) 0.0242(5) Uani 1 1 d . . . . .
C25 C 0.6570(2) 0.18280(16) 0.14206(14) 0.0262(5) Uani 1 1 d . . . . .
H25 H 0.7019 0.2274 0.1447 0.031 Uiso 1 1 calc R U . . .
C26 C 0.6972(3) 0.09514(18) 0.14648(16) 0.0342(6) Uani 1 1 d . . . . .
H26 H 0.7685 0.0798 0.1528 0.041 Uiso 1 1 calc R U . . .
C27 C 0.6320(3) 0.03005(18) 0.14153(19) 0.0412(8) Uani 1 1 d . . . . .
H27 H 0.6590 -0.0299 0.1445 0.049 Uiso 1 1 calc R U . . .
C28 C 0.5278(3) 0.05248(19) 0.1324(2) 0.0462(9) Uani 1 1 d . . . . .
H28 H 0.4842 0.0081 0.1283 0.055 Uiso 1 1 calc R U . . .
C29 C 0.4871(3) 0.13977(18) 0.12921(18) 0.0377(7) Uani 1 1 d . . . . .
H29 H 0.4151 0.1546 0.1238 0.045 Uiso 1 1 calc R U . . .
C30 C 0.3104(2) 0.44526(17) 0.04093(13) 0.0243(5) Uani 1 1 d . . . . .
C31 C 0.2352(2) 0.38311(18) 0.04188(14) 0.0293(6) Uani 1 1 d . . . . .
H31 H 0.2395 0.3236 0.0655 0.035 Uiso 1 1 calc R U . . .
C32 C 0.1543(3) 0.4083(2) 0.00835(15) 0.0349(6) Uani 1 1 d . . . . .
H32 H 0.1036 0.3658 0.0092 0.042 Uiso 1 1 calc R U . . .
C33 C 0.1472(3) 0.4951(2) -0.02628(14) 0.0346(6) Uani 1 1 d . . . . .
H33 H 0.0910 0.5122 -0.0484 0.042 Uiso 1 1 calc R U . . .
C34 C 0.2225(3) 0.5569(2) -0.02856(14) 0.0330(6) Uani 1 1 d . . . . .
H34 H 0.2185 0.6161 -0.0529 0.040 Uiso 1 1 calc R U . . .
C35 C 0.3039(2) 0.53222(18) 0.00489(14) 0.0286(5) Uani 1 1 d . . . . .
H35 H 0.3552 0.5747 0.0032 0.034 Uiso 1 1 calc R U . . .
C36 C 0.9519(2) 0.43278(15) 0.18013(12) 0.0213(5) Uani 1 1 d . . . . .
C37 C 0.7857(2) 0.55545(15) 0.17731(12) 0.0199(5) Uani 1 1 d . . . . .
C38 C 0.8653(2) 0.61812(15) 0.14663(12) 0.0224(5) Uani 1 1 d . . . . .
H38 H 0.8427 0.6785 0.1343 0.027 Uiso 1 1 calc R U . . .
C39 C 0.9782(2) 0.59598(15) 0.13291(12) 0.0220(5) Uani 1 1 d . . . . .
C40 C 1.0168(2) 0.50771(16) 0.14902(13) 0.0232(5) Uani 1 1 d . . . . .
H40 H 1.0945 0.4977 0.1378 0.028 Uiso 1 1 calc R U . . .
C41 C 0.5180(3) 0.25517(19) 0.46362(14) 0.0329(6) Uani 1 1 d . . . . .
C42 C 0.4417(3) 0.1928(2) 0.50320(16) 0.0419(8) Uani 1 1 d . . . . .
H42 H 0.3651 0.2076 0.5116 0.050 Uiso 1 1 calc R U . . .
C43 C 0.4771(4) 0.1087(2) 0.53059(19) 0.0650(12) Uani 1 1 d . U . . .
H43 H 0.4248 0.0660 0.5577 0.078 Uiso 1 1 calc R U . . .
C44 C 0.5890(5) 0.0875(3) 0.5182(2) 0.0857(18) Uani 1 1 d . U . . .
H44 H 0.6134 0.0301 0.5369 0.103 Uiso 1 1 calc R U . . .
C45 C 0.6647(5) 0.1489(4) 0.4792(2) 0.0890(19) Uani 1 1 d . U . . .
H45 H 0.7412 0.1339 0.4715 0.107 Uiso 1 1 calc R U . . .
C46 C 0.6306(4) 0.2327(3) 0.45094(18) 0.0589(11) Uani 1 1 d . U . . .
H46 H 0.6834 0.2745 0.4231 0.071 Uiso 1 1 calc R U . . .
C47 C 0.2892(2) 0.52338(18) 0.51623(13) 0.0285(6) Uani 1 1 d . . . . .
C48 C 0.2253(3) 0.5993(3) 0.50021(17) 0.0522(10) Uani 1 1 d . . . . .
H48 H 0.2345 0.6276 0.4553 0.063 Uiso 1 1 calc R U . . .
C49 C 0.1484(4) 0.6345(3) 0.5490(2) 0.0610(11) Uani 1 1 d . . . . .
H49 H 0.1065 0.6868 0.5370 0.073 Uiso 1 1 calc R U . . .
C50 C 0.1322(3) 0.5942(3) 0.61485(17) 0.0475(8) Uani 1 1 d . . . . .
H50 H 0.0805 0.6188 0.6481 0.057 Uiso 1 1 calc R U . . .
C51 C 0.1922(3) 0.5183(2) 0.63087(16) 0.0450(8) Uani 1 1 d . . . . .
H51 H 0.1799 0.4886 0.6757 0.054 Uiso 1 1 calc R U . . .
C52 C 0.2711(3) 0.4838(2) 0.58247(15) 0.0388(7) Uani 1 1 d . . . . .
H52 H 0.3134 0.4321 0.5951 0.047 Uiso 1 1 calc R U . . .
F1 F 0.63842(18) 0.82942(13) 0.33005(10) 0.0467(5) Uani 1 1 d . . . . .
F2 F 0.53552(16) 0.71749(12) 0.38002(9) 0.0404(4) Uani 1 1 d . . . . .
F3 F 0.68227(17) 0.70288(14) 0.30235(10) 0.0510(5) Uani 1 1 d . . . . .
F4 F 0.52887(18) 0.85234(14) 0.04960(9) 0.0496(5) Uani 1 1 d . . . . .
F5 F 0.67143(15) 0.78134(13) 0.07440(9) 0.0402(4) Uani 1 1 d . . . . .
F6 F 0.52647(18) 0.71080(13) 0.08288(10) 0.0480(5) Uani 1 1 d . . . . .
F7 F 0.26901(19) 1.11852(13) 0.06742(10) 0.0512(5) Uani 1 1 d . . . . .
F8 F 0.1272(2) 1.12352(17) 0.03314(14) 0.0834(9) Uani 1 1 d . . . . .
F9 F 0.2590(3) 1.03288(16) 0.00458(12) 0.0882(10) Uani 1 1 d . . . . .
F10 F -0.18916(15) 0.90945(13) 0.21696(10) 0.0438(4) Uani 1 1 d . . . . .
F11 F -0.13706(17) 0.87553(15) 0.12186(10) 0.0515(5) Uani 1 1 d . . . . .
F12 F -0.12127(17) 0.77885(12) 0.20739(11) 0.0480(5) Uani 1 1 d . . . . .
F13 F -0.1755(2) 0.7169(2) 0.44631(16) 0.0894(9) Uani 1 1 d . . . . .
F14 F -0.0779(2) 0.74828(17) 0.50633(13) 0.0764(8) Uani 1 1 d . . . . .
F15 F -0.1096(2) 0.61306(16) 0.50891(13) 0.0806(9) Uani 1 1 d . . . . .
C53 C 0.1615(2) 0.77045(15) 0.32428(12) 0.0218(5) Uani 1 1 d . . . . .
C54 C 0.0745(2) 0.76622(18) 0.38157(14) 0.0279(5) Uani 1 1 d . . . . .
H54 H 0.0535 0.8183 0.3993 0.033 Uiso 1 1 calc R U . . .
C55 C 0.0174(3) 0.68821(19) 0.41346(14) 0.0324(6) Uani 1 1 d . . . . .
C56 C 0.0472(3) 0.60890(18) 0.39144(14) 0.0320(6) Uani 1 1 d . . . . .
H56 H 0.0083 0.5558 0.4132 0.038 Uiso 1 1 calc R U . . .
C57 C 0.1369(2) 0.61080(17) 0.33603(13) 0.0267(5) Uani 1 1 d . . . . .
C58 C 0.1913(2) 0.68946(16) 0.30282(13) 0.0236(5) Uani 1 1 d . . . . .
H58 H 0.2503 0.6885 0.2645 0.028 Uiso 1 1 calc R U . . .
C59 C -0.0860(3) 0.6912(2) 0.46903(19) 0.0533(10) Uani 1 1 d . . . . .
C60 C 0.1708(3) 0.52668(18) 0.31048(15) 0.0337(6) Uani 1 1 d . . . . .
C61 C 0.2087(2) 0.94733(16) 0.31224(12) 0.0234(5) Uani 1 1 d . . . . .
C62 C 0.2977(2) 0.99609(16) 0.31186(13) 0.0260(5) Uani 1 1 d . . . . .
H62 H 0.3705 0.9780 0.2913 0.031 Uiso 1 1 calc R U . . .
C63 C 0.2824(3) 1.07044(18) 0.34081(14) 0.0308(6) Uani 1 1 d . . . . .
C64 C 0.1777(3) 1.09855(19) 0.37213(15) 0.0371(7) Uani 1 1 d . . . . .
H64 H 0.1676 1.1476 0.3933 0.045 Uiso 1 1 calc R U . . .
C65 C 0.0878(3) 1.05303(19) 0.37165(16) 0.0384(7) Uani 1 1 d . . . . .
C66 C 0.1025(2) 0.98001(17) 0.34168(14) 0.0290(6) Uani 1 1 d . . . . .
H66 H 0.0394 0.9513 0.3410 0.035 Uiso 1 1 calc R U . . .
C67 C -0.0277(3) 1.0839(3) 0.4028(2) 0.0544(10) Uani 1 1 d . . . . .
C68 C 0.3807(3) 1.1233(2) 0.33534(16) 0.0394(7) Uani 1 1 d . . . . .
C69 C 0.1595(2) 0.89554(15) 0.21666(12) 0.0213(5) Uani 1 1 d . . . . .
C70 C 0.0576(2) 0.86344(16) 0.21905(13) 0.0231(5) Uani 1 1 d . . . . .
H70 H 0.0250 0.8171 0.2547 0.028 Uiso 1 1 calc R U . . .
C71 C 0.0029(2) 0.89767(17) 0.17048(13) 0.0253(5) Uani 1 1 d . . . . .
C72 C 0.0485(2) 0.96437(17) 0.11700(14) 0.0273(5) Uani 1 1 d . . . . .
H72 H 0.0117 0.9869 0.0836 0.033 Uiso 1 1 calc R U . . .
C73 C 0.1495(2) 0.99735(16) 0.11358(13) 0.0251(5) Uani 1 1 d . . . . .
C74 C 0.2035(2) 0.96407(16) 0.16256(13) 0.0234(5) Uani 1 1 d . . . . .
H74 H 0.2719 0.9883 0.1593 0.028 Uiso 1 1 calc R U . . .
C75 C 0.2024(3) 1.06696(19) 0.05484(14) 0.0342(6) Uani 1 1 d . . . . .
C76 C -0.1102(2) 0.86519(19) 0.17911(15) 0.0316(6) Uani 1 1 d . . . . .
C77 C 0.4192(2) 0.81062(15) 0.29150(12) 0.0219(5) Uani 1 1 d . . . . .
H77 H 0.3881 0.8136 0.3364 0.026 Uiso 1 1 calc R U . . .
C78 C 0.3523(2) 0.83451(15) 0.24757(12) 0.0204(5) Uani 1 1 d . . . . .
C79 C 0.4032(2) 0.82576(15) 0.18284(12) 0.0210(5) Uani 1 1 d . . . . .
H79 H 0.3612 0.8396 0.1515 0.025 Uiso 1 1 calc R U . . .
C80 C 0.5138(2) 0.79735(14) 0.16226(12) 0.0212(5) Uani 1 1 d . . . . .
C81 C 0.5786(2) 0.77699(15) 0.20616(13) 0.0218(5) Uani 1 1 d . . . . .
H81 H 0.6541 0.7597 0.1921 0.026 Uiso 1 1 calc R U . . .
C82 C 0.5295(2) 0.78273(15) 0.27146(13) 0.0224(5) Uani 1 1 d . . . . .
C83 C 0.5603(2) 0.78609(18) 0.09272(13) 0.0275(5) Uani 1 1 d . . . . .
C84 C 0.5960(2) 0.75875(18) 0.32060(14) 0.0305(6) Uani 1 1 d . . . . .
B1 B 0.2217(2) 0.86187(17) 0.27591(14) 0.0203(5) Uani 1 1 d . . . . .
F18 F 0.1423(5) 0.4532(3) 0.3549(2) 0.0324(10) Uiso 0.4 1 d . . P A 1
F21 F 0.1053(6) 0.5236(4) 0.2675(3) 0.0460(17) Uiso 0.4 1 d . . P A 1
F24 F 0.2787(4) 0.5238(3) 0.2793(3) 0.0407(13) Uiso 0.4 1 d . . P A 1
F25 F -0.0841(7) 1.1141(6) 0.3589(4) 0.0655(19) Uiso 0.3333 1 d . . P B 1
F28 F -0.0323(7) 1.1425(6) 0.4375(5) 0.070(2) Uiso 0.3333 1 d . . P B 1
F31 F -0.0873(6) 1.0137(4) 0.4461(4) 0.0474(14) Uiso 0.3333 1 d . . P B 1
F35 F 0.4735(4) 1.0728(3) 0.3309(3) 0.0441(10) Uiso 0.5 1 d . . P C 1
F39 F 0.3650(4) 1.1554(4) 0.3911(2) 0.0472(11) Uiso 0.5 1 d . . P C 1
F41 F 0.3971(4) 1.1907(3) 0.2836(2) 0.0360(9) Uiso 0.5 1 d . . P C 1
F17 F 0.1878(6) 0.4580(3) 0.3573(2) 0.0378(11) Uiso 0.4 1 d . . P A 2
F20 F 0.0937(5) 0.5038(5) 0.2855(4) 0.0450(16) Uiso 0.4 1 d . . P A 2
F23 F 0.2608(4) 0.5355(3) 0.2583(2) 0.0235(8) Uiso 0.4 1 d . . P A 2
F27 F -0.0372(6) 1.1741(5) 0.3885(4) 0.0565(17) Uiso 0.3333 1 d . . P B 2
F30 F -0.0604(9) 1.0650(7) 0.4629(5) 0.085(3) Uiso 0.3333 1 d . . P B 2
F33 F -0.1062(7) 1.0589(6) 0.3775(4) 0.0627(18) Uiso 0.3333 1 d . . P B 2
F36 F 0.4510(8) 1.0797(6) 0.3638(5) 0.051(2) Uiso 0.25 1 d . . P C 2
F38 F 0.3507(8) 1.1969(6) 0.3666(5) 0.054(2) Uiso 0.25 1 d . . P C 2
F42 F 0.4348(8) 1.1604(6) 0.2731(4) 0.049(2) Uiso 0.25 1 d . . P C 2
F16 F 0.2532(11) 0.4776(7) 0.3401(6) 0.052(2) Uiso 0.2 1 d . . P A 3
F19 F 0.0973(10) 0.4656(8) 0.3251(7) 0.055(3) Uiso 0.2 1 d . . P A 3
F22 F 0.2173(10) 0.5354(6) 0.2461(5) 0.044(2) Uiso 0.2 1 d . . P A 3
F26 F -0.0625(6) 1.1574(5) 0.3676(3) 0.0477(14) Uiso 0.3333 1 d . . P B 3
F29 F -0.0333(5) 1.1052(5) 0.4650(3) 0.0393(12) Uiso 0.3333 1 d . . P B 3
F32 F -0.1051(5) 1.0222(4) 0.4175(4) 0.0443(13) Uiso 0.3333 1 d . . P B 3
F34 F 0.4836(7) 1.0873(5) 0.3010(5) 0.0412(19) Uiso 0.25 1 d . . P C 3
F37 F 0.4001(8) 1.1288(6) 0.3899(4) 0.0391(19) Uiso 0.25 1 d . . P C 3
F40 F 0.3723(7) 1.2075(5) 0.3029(5) 0.040(2) Uiso 0.25 1 d . . P C 3


_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 P1 2.2124(6) . ?
Rh1 P2 2.3045(7) . ?
Rh1 P3 2.3189(7) . ?
Rh1 P4 2.3328(7) . ?
Rh1 C6 1.982(3) . ?
P1 O1 1.5948(19) . ?
P1 O2 1.5933(19) . ?
P1 O3 1.6023(19) . ?
P2 C1 1.735(3) . ?
P2 C5 1.721(3) . ?
P3 C19 1.740(2) . ?
P3 C23 1.733(2) . ?
P4 C36 1.737(3) . ?
P4 C37 1.740(2) . ?
O1 C1 1.410(3) . ?
O2 C19 1.405(3) . ?
O3 C37 1.407(3) . ?
O4 C6 1.122(3) . ?
C1 C2 1.370(4) . ?
C2 H2 0.9500 . ?
C2 C3 1.409(4) . ?
C3 C4 1.400(4) . ?
C3 C47 1.494(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.401(4) . ?
C5 C41 1.490(4) . ?
C7 C8 1.398(4) . ?
C7 C12 1.399(4) . ?
C7 C36 1.489(3) . ?
C8 H8 0.9500 . ?
C8 C9 1.397(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.387(6) . ?
C10 H10 0.9500 . ?
C10 C11 1.372(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.390(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.396(4) . ?
C13 C18 1.397(4) . ?
C13 C39 1.497(4) . ?
C14 H14 0.9500 . ?
C14 C15 1.394(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.389(5) . ?
C16 H16 0.9500 . ?
C16 C17 1.385(5) . ?
C17 H17 0.9500 . ?
C17 C18 1.399(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.367(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.402(3) . ?
C21 C22 1.405(3) . ?
C21 C30 1.489(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.398(3) . ?
C23 C24 1.489(3) . ?
C24 C25 1.388(4) . ?
C24 C29 1.405(4) . ?
C25 H25 0.9500 . ?
C25 C26 1.392(3) . ?
C26 H26 0.9500 . ?
C26 C27 1.393(4) . ?
C27 H27 0.9500 . ?
C27 C28 1.386(5) . ?
C28 H28 0.9500 . ?
C28 C29 1.390(4) . ?
C29 H29 0.9500 . ?
C30 C31 1.401(4) . ?
C30 C35 1.399(4) . ?
C31 H31 0.9500 . ?
C31 C32 1.391(4) . ?
C32 H32 0.9500 . ?
C32 C33 1.388(4) . ?
C33 H33 0.9500 . ?
C33 C34 1.389(4) . ?
C34 H34 0.9500 . ?
C34 C35 1.394(4) . ?
C35 H35 0.9500 . ?
C36 C40 1.405(4) . ?
C37 C38 1.378(4) . ?
C38 H38 0.9500 . ?
C38 C39 1.400(4) . ?
C39 C40 1.404(3) . ?
C40 H40 0.9500 . ?
C41 C42 1.386(5) . ?
C41 C46 1.398(5) . ?
C42 H42 0.9500 . ?
C42 C43 1.388(5) . ?
C43 H43 0.9500 . ?
C43 C44 1.386(7) . ?
C44 H44 0.9500 . ?
C44 C45 1.370(8) . ?
C45 H45 0.9500 . ?
C45 C46 1.384(5) . ?
C46 H46 0.9500 . ?
C47 C48 1.394(4) . ?
C47 C52 1.387(4) . ?
C48 H48 0.9500 . ?
C48 C49 1.392(5) . ?
C49 H49 0.9500 . ?
C49 C50 1.385(5) . ?
C50 H50 0.9500 . ?
C50 C51 1.367(5) . ?
C51 H51 0.9500 . ?
C51 C52 1.393(4) . ?
C52 H52 0.9500 . ?
F1 C84 1.334(3) . ?
F2 C84 1.346(3) . ?
F3 C84 1.351(3) . ?
F4 C83 1.333(3) . ?
F5 C83 1.347(3) . ?
F6 C83 1.351(3) . ?
F7 C75 1.326(3) . ?
F8 C75 1.340(4) . ?
F9 C75 1.312(4) . ?
F10 C76 1.341(3) . ?
F11 C76 1.344(3) . ?
F12 C76 1.336(3) . ?
F13 C59 1.347(5) . ?
F14 C59 1.347(4) . ?
F15 C59 1.318(4) . ?
C53 C54 1.401(4) . ?
C53 C58 1.411(3) . ?
C53 B1 1.657(4) . ?
C54 H54 0.9500 . ?
C54 C55 1.396(4) . ?
C55 C56 1.392(4) . ?
C55 C59 1.513(5) . ?
C56 H56 0.9500 . ?
C56 C57 1.396(4) . ?
C57 C58 1.394(4) . ?
C57 C60 1.502(4) . ?
C58 H58 0.9500 . ?
C60 F18 1.314(5) . ?
C60 F21 1.415(7) . ?
C60 F24 1.344(6) . ?
C60 F17 1.338(6) . ?
C60 F20 1.342(7) . ?
C60 F23 1.352(5) . ?
C60 F16 1.442(11) . ?
C60 F19 1.306(12) . ?
C60 F22 1.331(11) . ?
C61 C62 1.404(4) . ?
C61 C66 1.415(4) . ?
C61 B1 1.652(3) . ?
C62 H62 0.9500 . ?
C62 C63 1.398(4) . ?
C63 C64 1.387(5) . ?
C63 C68 1.508(4) . ?
C64 H64 0.9500 . ?
C64 C65 1.391(5) . ?
C65 C66 1.393(4) . ?
C65 C67 1.509(5) . ?
C66 H66 0.9500 . ?
C67 F25 1.320(8) . ?
C67 F28 1.285(9) . ?
C67 F31 1.383(8) . ?
C67 F27 1.357(8) . ?
C67 F30 1.222(10) . ?
C67 F33 1.377(8) . ?
C67 F26 1.329(7) . ?
C67 F29 1.433(7) . ?
C67 F32 1.349(8) . ?
C68 F35 1.339(6) . ?
C68 F39 1.361(5) . ?
C68 F41 1.328(5) . ?
C68 F36 1.276(9) . ?
C68 F38 1.417(9) . ?
C68 F42 1.348(10) . ?
C68 F34 1.436(9) . ?
C68 F37 1.290(8) . ?
C68 F40 1.340(8) . ?
C69 C70 1.403(4) . ?
C69 C74 1.408(4) . ?
C69 B1 1.648(4) . ?
C70 H70 0.9500 . ?
C70 C71 1.396(4) . ?
C71 C72 1.389(4) . ?
C71 C76 1.504(4) . ?
C72 H72 0.9500 . ?
C72 C73 1.393(4) . ?
C73 C74 1.395(4) . ?
C73 C75 1.502(4) . ?
C74 H74 0.9500 . ?
C77 H77 0.9500 . ?
C77 C78 1.409(3) . ?
C77 C82 1.397(4) . ?
C78 C79 1.398(3) . ?
C78 B1 1.643(4) . ?
C79 H79 0.9500 . ?
C79 C80 1.403(4) . ?
C80 C81 1.386(3) . ?
C80 C83 1.496(4) . ?
C81 H81 0.9500 . ?
C81 C82 1.393(4) . ?
C82 C84 1.495(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Rh1 P2 79.73(2) . . ?
P1 Rh1 P3 80.56(2) . . ?
P1 Rh1 P4 80.96(2) . . ?
P2 Rh1 P3 118.37(3) . . ?
P2 Rh1 P4 119.22(2) . . ?
P3 Rh1 P4 114.24(2) . . ?
C6 Rh1 P1 177.12(9) . . ?
C6 Rh1 P2 97.43(8) . . ?
C6 Rh1 P3 100.50(8) . . ?
C6 Rh1 P4 100.95(9) . . ?
O1 P1 Rh1 116.93(7) . . ?
O1 P1 O3 102.30(10) . . ?
O2 P1 Rh1 115.89(7) . . ?
O2 P1 O1 101.21(11) . . ?
O2 P1 O3 102.65(10) . . ?
O3 P1 Rh1 115.61(7) . . ?
C1 P2 Rh1 109.89(9) . . ?
C5 P2 Rh1 147.28(9) . . ?
C5 P2 C1 102.26(13) . . ?
C19 P3 Rh1 108.58(8) . . ?
C23 P3 Rh1 149.12(9) . . ?
C23 P3 C19 102.09(12) . . ?
C36 P4 Rh1 149.86(8) . . ?
C36 P4 C37 101.84(12) . . ?
C37 P4 Rh1 108.28(9) . . ?
C1 O1 P1 116.68(15) . . ?
C19 O2 P1 117.76(15) . . ?
C37 O3 P1 118.41(14) . . ?
O1 C1 P2 115.62(18) . . ?
C2 C1 P2 126.4(2) . . ?
C2 C1 O1 118.0(2) . . ?
C1 C2 H2 118.9 . . ?
C1 C2 C3 122.3(2) . . ?
C3 C2 H2 118.9 . . ?
C2 C3 C47 119.9(2) . . ?
C4 C3 C2 120.5(2) . . ?
C4 C3 C47 119.6(2) . . ?
C3 C4 H4 116.3 . . ?
C3 C4 C5 127.5(3) . . ?
C5 C4 H4 116.3 . . ?
C4 C5 P2 120.9(2) . . ?
C4 C5 C41 119.7(2) . . ?
C41 C5 P2 119.30(19) . . ?
O4 C6 Rh1 179.3(3) . . ?
C8 C7 C12 118.8(2) . . ?
C8 C7 C36 121.1(2) . . ?
C12 C7 C36 120.0(2) . . ?
C7 C8 H8 120.0 . . ?
C9 C8 C7 120.0(3) . . ?
C9 C8 H8 120.0 . . ?
C8 C9 H9 119.9 . . ?
C10 C9 C8 120.2(3) . . ?
C10 C9 H9 119.9 . . ?
C9 C10 H10 120.0 . . ?
C11 C10 C9 120.0(3) . . ?
C11 C10 H10 120.0 . . ?
C10 C11 H11 119.8 . . ?
C10 C11 C12 120.5(3) . . ?
C12 C11 H11 119.8 . . ?
C7 C12 H12 119.8 . . ?
C11 C12 C7 120.4(3) . . ?
C11 C12 H12 119.8 . . ?
C14 C13 C18 118.5(3) . . ?
C14 C13 C39 120.8(2) . . ?
C18 C13 C39 120.7(2) . . ?
C13 C14 H14 119.6 . . ?
C15 C14 C13 120.9(3) . . ?
C15 C14 H14 119.6 . . ?
C14 C15 H15 119.7 . . ?
C16 C15 C14 120.5(3) . . ?
C16 C15 H15 119.7 . . ?
C15 C16 H16 120.6 . . ?
C17 C16 C15 118.9(3) . . ?
C17 C16 H16 120.6 . . ?
C16 C17 H17 119.5 . . ?
C16 C17 C18 121.0(3) . . ?
C18 C17 H17 119.5 . . ?
C13 C18 C17 120.2(3) . . ?
C13 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
O2 C19 P3 116.38(17) . . ?
C20 C19 P3 126.41(18) . . ?
C20 C19 O2 117.1(2) . . ?
C19 C20 H20 119.0 . . ?
C19 C20 C21 122.0(2) . . ?
C21 C20 H20 119.0 . . ?
C20 C21 C22 121.6(2) . . ?
C20 C21 C30 118.3(2) . . ?
C22 C21 C30 120.1(2) . . ?
C21 C22 H22 116.6 . . ?
C23 C22 C21 126.7(2) . . ?
C23 C22 H22 116.6 . . ?
C22 C23 P3 120.90(18) . . ?
C22 C23 C24 120.6(2) . . ?
C24 C23 P3 118.53(18) . . ?
C25 C24 C23 121.2(2) . . ?
C25 C24 C29 118.9(2) . . ?
C29 C24 C23 119.9(2) . . ?
C24 C25 H25 119.5 . . ?
C24 C25 C26 121.0(2) . . ?
C26 C25 H25 119.5 . . ?
C25 C26 H26 120.3 . . ?
C25 C26 C27 119.5(3) . . ?
C27 C26 H26 120.3 . . ?
C26 C27 H27 119.9 . . ?
C28 C27 C26 120.2(3) . . ?
C28 C27 H27 119.9 . . ?
C27 C28 H28 119.9 . . ?
C27 C28 C29 120.1(3) . . ?
C29 C28 H28 119.9 . . ?
C24 C29 H29 119.9 . . ?
C28 C29 C24 120.2(3) . . ?
C28 C29 H29 119.9 . . ?
C31 C30 C21 120.3(2) . . ?
C35 C30 C21 120.6(2) . . ?
C35 C30 C31 119.0(2) . . ?
C30 C31 H31 119.9 . . ?
C32 C31 C30 120.2(3) . . ?
C32 C31 H31 119.9 . . ?
C31 C32 H32 119.8 . . ?
C33 C32 C31 120.3(3) . . ?
C33 C32 H32 119.8 . . ?
C32 C33 H33 120.0 . . ?
C32 C33 C34 120.0(3) . . ?
C34 C33 H33 120.0 . . ?
C33 C34 H34 120.0 . . ?
C33 C34 C35 120.1(3) . . ?
C35 C34 H34 120.0 . . ?
C30 C35 H35 119.8 . . ?
C34 C35 C30 120.4(3) . . ?
C34 C35 H35 119.8 . . ?
C7 C36 P4 119.49(19) . . ?
C40 C36 P4 121.46(18) . . ?
C40 C36 C7 119.0(2) . . ?
O3 C37 P4 116.53(17) . . ?
C38 C37 P4 126.3(2) . . ?
C38 C37 O3 117.2(2) . . ?
C37 C38 H38 118.8 . . ?
C37 C38 C39 122.4(2) . . ?
C39 C38 H38 118.8 . . ?
C38 C39 C13 120.1(2) . . ?
C38 C39 C40 121.5(2) . . ?
C40 C39 C13 118.4(2) . . ?
C36 C40 H40 116.8 . . ?
C39 C40 C36 126.5(2) . . ?
C39 C40 H40 116.8 . . ?
C42 C41 C5 121.3(3) . . ?
C42 C41 C46 119.6(3) . . ?
C46 C41 C5 118.9(3) . . ?
C41 C42 H42 119.9 . . ?
C41 C42 C43 120.2(4) . . ?
C43 C42 H42 119.9 . . ?
C42 C43 H43 120.2 . . ?
C44 C43 C42 119.6(4) . . ?
C44 C43 H43 120.2 . . ?
C43 C44 H44 119.8 . . ?
C45 C44 C43 120.4(4) . . ?
C45 C44 H44 119.8 . . ?
C44 C45 H45 119.7 . . ?
C44 C45 C46 120.6(4) . . ?
C46 C45 H45 119.7 . . ?
C41 C46 H46 120.2 . . ?
C45 C46 C41 119.5(4) . . ?
C45 C46 H46 120.2 . . ?
C48 C47 C3 121.5(3) . . ?
C52 C47 C3 121.3(3) . . ?
C52 C47 C48 117.2(3) . . ?
C47 C48 H48 119.5 . . ?
C49 C48 C47 121.0(3) . . ?
C49 C48 H48 119.5 . . ?
C48 C49 H49 119.6 . . ?
C50 C49 C48 120.8(3) . . ?
C50 C49 H49 119.6 . . ?
C49 C50 H50 120.7 . . ?
C51 C50 C49 118.5(3) . . ?
C51 C50 H50 120.7 . . ?
C50 C51 H51 119.5 . . ?
C50 C51 C52 121.0(3) . . ?
C52 C51 H51 119.5 . . ?
C47 C52 C51 121.4(3) . . ?
C47 C52 H52 119.3 . . ?
C51 C52 H52 119.3 . . ?
C54 C53 C58 115.5(2) . . ?
C54 C53 B1 126.4(2) . . ?
C58 C53 B1 117.7(2) . . ?
C53 C54 H54 118.9 . . ?
C55 C54 C53 122.3(2) . . ?
C55 C54 H54 118.9 . . ?
C54 C55 C59 119.6(3) . . ?
C56 C55 C54 121.5(3) . . ?
C56 C55 C59 118.6(3) . . ?
C55 C56 H56 121.5 . . ?
C55 C56 C57 117.1(3) . . ?
C57 C56 H56 121.5 . . ?
C56 C57 C60 118.5(2) . . ?
C58 C57 C56 121.4(2) . . ?
C58 C57 C60 120.0(2) . . ?
C53 C58 H58 118.9 . . ?
C57 C58 C53 122.2(2) . . ?
C57 C58 H58 118.9 . . ?
F13 C59 C55 111.7(3) . . ?
F14 C59 F13 107.4(3) . . ?
F14 C59 C55 111.8(3) . . ?
F15 C59 F13 105.4(3) . . ?
F15 C59 F14 107.0(3) . . ?
F15 C59 C55 113.1(3) . . ?
F18 C60 C57 114.3(3) . . ?
F18 C60 F21 101.1(4) . . ?
F18 C60 F24 111.0(4) . . ?
F21 C60 C57 106.6(3) . . ?
F24 C60 C57 112.2(3) . . ?
F24 C60 F21 111.0(4) . . ?
F17 C60 C57 112.4(3) . . ?
F17 C60 F20 108.0(4) . . ?
F17 C60 F23 109.2(4) . . ?
F20 C60 C57 111.0(4) . . ?
F20 C60 F23 102.3(4) . . ?
F23 C60 C57 113.4(3) . . ?
F16 C60 C57 110.1(5) . . ?
F19 C60 C57 118.2(6) . . ?
F19 C60 F16 100.4(7) . . ?
F19 C60 F22 105.3(8) . . ?
F22 C60 C57 117.1(5) . . ?
F22 C60 F16 103.6(7) . . ?
C62 C61 C66 115.8(2) . . ?
C62 C61 B1 124.0(2) . . ?
C66 C61 B1 120.0(2) . . ?
C61 C62 H62 119.0 . . ?
C63 C62 C61 122.1(3) . . ?
C63 C62 H62 119.0 . . ?
C62 C63 C68 119.6(3) . . ?
C64 C63 C62 120.9(3) . . ?
C64 C63 C68 119.4(3) . . ?
C63 C64 H64 120.9 . . ?
C63 C64 C65 118.2(2) . . ?
C65 C64 H64 120.9 . . ?
C64 C65 C66 121.0(3) . . ?
C64 C65 C67 119.8(3) . . ?
C66 C65 C67 119.2(3) . . ?
C61 C66 H66 119.1 . . ?
C65 C66 C61 121.9(3) . . ?
C65 C66 H66 119.1 . . ?
F25 C67 C65 112.1(5) . . ?
F25 C67 F31 105.1(6) . . ?
F28 C67 C65 114.3(5) . . ?
F28 C67 F25 109.2(6) . . ?
F28 C67 F31 104.8(6) . . ?
F31 C67 C65 110.7(4) . . ?
F27 C67 C65 110.5(5) . . ?
F27 C67 F33 102.5(5) . . ?
F30 C67 C65 117.4(6) . . ?
F30 C67 F27 103.6(6) . . ?
F30 C67 F33 108.0(7) . . ?
F33 C67 C65 113.3(4) . . ?
F26 C67 C65 113.9(4) . . ?
F26 C67 F29 105.3(5) . . ?
F26 C67 F32 107.6(5) . . ?
F29 C67 C65 110.3(4) . . ?
F32 C67 C65 114.7(4) . . ?
F32 C67 F29 104.2(5) . . ?
F35 C68 C63 112.2(3) . . ?
F35 C68 F39 105.5(4) . . ?
F39 C68 C63 109.5(3) . . ?
F41 C68 C63 111.7(3) . . ?
F41 C68 F35 108.4(4) . . ?
F41 C68 F39 109.2(4) . . ?
F36 C68 C63 114.1(5) . . ?
F36 C68 F38 103.2(6) . . ?
F36 C68 F42 108.2(7) . . ?
F38 C68 C63 112.3(5) . . ?
F42 C68 C63 114.4(4) . . ?
F42 C68 F38 103.7(6) . . ?
F34 C68 C63 113.5(4) . . ?
F37 C68 C63 116.6(5) . . ?
F37 C68 F34 102.2(6) . . ?
F37 C68 F40 105.7(6) . . ?
F40 C68 C63 111.6(4) . . ?
F40 C68 F34 106.3(6) . . ?
C70 C69 C74 116.3(2) . . ?
C70 C69 B1 123.0(2) . . ?
C74 C69 B1 120.5(2) . . ?
C69 C70 H70 119.1 . . ?
C71 C70 C69 121.8(2) . . ?
C71 C70 H70 119.1 . . ?
C70 C71 C76 118.8(3) . . ?
C72 C71 C70 121.0(2) . . ?
C72 C71 C76 120.1(2) . . ?
C71 C72 H72 120.9 . . ?
C71 C72 C73 118.3(2) . . ?
C73 C72 H72 120.9 . . ?
C72 C73 C74 120.8(2) . . ?
C72 C73 C75 119.1(2) . . ?
C74 C73 C75 120.0(2) . . ?
C69 C74 H74 119.1 . . ?
C73 C74 C69 121.8(2) . . ?
C73 C74 H74 119.1 . . ?
F7 C75 F8 104.6(3) . . ?
F7 C75 C73 113.4(2) . . ?
F8 C75 C73 111.8(3) . . ?
F9 C75 F7 107.6(3) . . ?
F9 C75 F8 106.1(3) . . ?
F9 C75 C73 112.8(2) . . ?
F10 C76 F11 105.9(2) . . ?
F10 C76 C71 111.9(2) . . ?
F11 C76 C71 113.0(3) . . ?
F12 C76 F10 106.5(3) . . ?
F12 C76 F11 106.2(2) . . ?
F12 C76 C71 112.9(2) . . ?
C78 C77 H77 118.8 . . ?
C82 C77 H77 118.8 . . ?
C82 C77 C78 122.4(2) . . ?
C77 C78 B1 119.3(2) . . ?
C79 C78 C77 115.2(2) . . ?
C79 C78 B1 125.3(2) . . ?
C78 C79 H79 118.6 . . ?
C78 C79 C80 122.8(2) . . ?
C80 C79 H79 118.6 . . ?
C79 C80 C83 119.3(2) . . ?
C81 C80 C79 120.7(2) . . ?
C81 C80 C83 120.0(2) . . ?
C80 C81 H81 121.0 . . ?
C80 C81 C82 118.0(2) . . ?
C82 C81 H81 121.0 . . ?
C77 C82 C84 119.7(2) . . ?
C81 C82 C77 120.8(2) . . ?
C81 C82 C84 119.5(2) . . ?
F4 C83 F5 107.1(2) . . ?
F4 C83 F6 105.7(2) . . ?
F4 C83 C80 112.3(2) . . ?
F5 C83 F6 106.1(2) . . ?
F5 C83 C80 113.2(2) . . ?
F6 C83 C80 112.0(2) . . ?
F1 C84 F2 106.6(2) . . ?
F1 C84 F3 106.1(2) . . ?
F1 C84 C82 112.9(2) . . ?
F2 C84 F3 106.3(2) . . ?
F2 C84 C82 111.9(2) . . ?
F3 C84 C82 112.4(2) . . ?
C61 B1 C53 114.4(2) . . ?
C69 B1 C53 107.9(2) . . ?
C69 B1 C61 104.76(18) . . ?
C78 B1 C53 106.55(19) . . ?
C78 B1 C61 110.9(2) . . ?
C78 B1 C69 112.3(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 P1 O1 C1 -11.7(2) . . . . ?
Rh1 P1 O2 C19 -10.8(2) . . . . ?
Rh1 P1 O3 C37 -5.32(19) . . . . ?
Rh1 P2 C1 O1 -7.2(2) . . . . ?
Rh1 P2 C1 C2 173.2(2) . . . . ?
Rh1 P2 C5 C4 -166.92(15) . . . . ?
Rh1 P2 C5 C41 15.1(3) . . . . ?
Rh1 P3 C19 O2 -1.4(2) . . . . ?
Rh1 P3 C19 C20 -178.1(2) . . . . ?
Rh1 P3 C23 C22 -177.82(15) . . . . ?
Rh1 P3 C23 C24 3.8(3) . . . . ?
Rh1 P4 C36 C7 1.2(3) . . . . ?
Rh1 P4 C36 C40 -179.86(13) . . . . ?
Rh1 P4 C37 O3 -0.25(19) . . . . ?
Rh1 P4 C37 C38 179.3(2) . . . . ?
P1 O1 C1 P2 12.0(3) . . . . ?
P1 O1 C1 C2 -168.4(2) . . . . ?
P1 O2 C19 P3 7.7(3) . . . . ?
P1 O2 C19 C20 -175.3(2) . . . . ?
P1 O3 C37 P4 3.5(2) . . . . ?
P1 O3 C37 C38 -176.07(17) . . . . ?
P2 C1 C2 C3 -1.1(4) . . . . ?
P2 C5 C41 C42 -135.3(3) . . . . ?
P2 C5 C41 C46 48.3(4) . . . . ?
P3 C19 C20 C21 -2.3(4) . . . . ?
P3 C23 C24 C25 -36.3(3) . . . . ?
P3 C23 C24 C29 143.8(3) . . . . ?
P4 C36 C40 C39 -0.8(4) . . . . ?
P4 C37 C38 C39 0.4(4) . . . . ?
O1 P1 O2 C19 -138.39(19) . . . . ?
O1 P1 O3 C37 122.89(17) . . . . ?
O1 C1 C2 C3 179.3(2) . . . . ?
O2 P1 O1 C1 115.2(2) . . . . ?
O2 P1 O3 C37 -132.47(17) . . . . ?
O2 C19 C20 C21 -179.0(2) . . . . ?
O3 P1 O1 C1 -139.02(19) . . . . ?
O3 P1 O2 C19 116.1(2) . . . . ?
O3 C37 C38 C39 179.9(2) . . . . ?
C1 P2 C5 C4 2.3(3) . . . . ?
C1 P2 C5 C41 -175.7(2) . . . . ?
C1 C2 C3 C4 1.3(4) . . . . ?
C1 C2 C3 C47 -178.3(3) . . . . ?
C2 C3 C4 C5 0.7(4) . . . . ?
C2 C3 C47 C48 19.7(4) . . . . ?
C2 C3 C47 C52 -162.6(3) . . . . ?
C3 C4 C5 P2 -2.6(4) . . . . ?
C3 C4 C5 C41 175.4(3) . . . . ?
C3 C47 C48 C49 178.9(4) . . . . ?
C3 C47 C52 C51 -177.5(3) . . . . ?
C4 C3 C47 C48 -159.9(3) . . . . ?
C4 C3 C47 C52 17.8(4) . . . . ?
C4 C5 C41 C42 46.7(4) . . . . ?
C4 C5 C41 C46 -129.7(3) . . . . ?
C5 P2 C1 O1 179.0(2) . . . . ?
C5 P2 C1 C2 -0.7(3) . . . . ?
C5 C41 C42 C43 -175.9(3) . . . . ?
C5 C41 C46 C45 175.2(4) . . . . ?
C7 C8 C9 C10 -0.6(5) . . . . ?
C7 C36 C40 C39 178.2(2) . . . . ?
C8 C7 C12 C11 0.7(4) . . . . ?
C8 C7 C36 P4 41.7(3) . . . . ?
C8 C7 C36 C40 -137.3(3) . . . . ?
C8 C9 C10 C11 0.4(6) . . . . ?
C9 C10 C11 C12 0.3(6) . . . . ?
C10 C11 C12 C7 -0.8(5) . . . . ?
C12 C7 C8 C9 0.0(4) . . . . ?
C12 C7 C36 P4 -139.5(2) . . . . ?
C12 C7 C36 C40 41.5(3) . . . . ?
C13 C14 C15 C16 0.0(5) . . . . ?
C13 C39 C40 C36 -179.6(2) . . . . ?
C14 C13 C18 C17 2.1(4) . . . . ?
C14 C13 C39 C38 142.2(3) . . . . ?
C14 C13 C39 C40 -38.8(3) . . . . ?
C14 C15 C16 C17 1.3(5) . . . . ?
C15 C16 C17 C18 -0.9(5) . . . . ?
C16 C17 C18 C13 -0.8(5) . . . . ?
C18 C13 C14 C15 -1.7(4) . . . . ?
C18 C13 C39 C38 -38.4(4) . . . . ?
C18 C13 C39 C40 140.6(3) . . . . ?
C19 P3 C23 C22 -4.7(3) . . . . ?
C19 P3 C23 C24 176.9(2) . . . . ?
C19 C20 C21 C22 -3.0(4) . . . . ?
C19 C20 C21 C30 175.2(3) . . . . ?
C20 C21 C22 C23 3.8(4) . . . . ?
C20 C21 C30 C31 -141.1(3) . . . . ?
C20 C21 C30 C35 34.5(4) . . . . ?
C21 C22 C23 P3 0.9(4) . . . . ?
C21 C22 C23 C24 179.3(3) . . . . ?
C21 C30 C31 C32 174.5(3) . . . . ?
C21 C30 C35 C34 -174.5(2) . . . . ?
C22 C21 C30 C31 37.2(4) . . . . ?
C22 C21 C30 C35 -147.2(3) . . . . ?
C22 C23 C24 C25 145.3(3) . . . . ?
C22 C23 C24 C29 -34.6(4) . . . . ?
C23 P3 C19 O2 -177.7(2) . . . . ?
C23 P3 C19 C20 5.6(3) . . . . ?
C23 C24 C25 C26 179.2(3) . . . . ?
C23 C24 C29 C28 179.7(3) . . . . ?
C24 C25 C26 C27 1.1(5) . . . . ?
C25 C24 C29 C28 -0.3(5) . . . . ?
C25 C26 C27 C28 -0.1(5) . . . . ?
C26 C27 C28 C29 -1.1(6) . . . . ?
C27 C28 C29 C24 1.3(6) . . . . ?
C29 C24 C25 C26 -0.9(4) . . . . ?
C30 C21 C22 C23 -174.5(3) . . . . ?
C30 C31 C32 C33 0.0(4) . . . . ?
C31 C30 C35 C34 1.1(4) . . . . ?
C31 C32 C33 C34 1.2(4) . . . . ?
C32 C33 C34 C35 -1.2(4) . . . . ?
C33 C34 C35 C30 0.0(4) . . . . ?
C35 C30 C31 C32 -1.1(4) . . . . ?
C36 P4 C37 O3 178.96(17) . . . . ?
C36 P4 C37 C38 -1.5(2) . . . . ?
C36 C7 C8 C9 178.8(3) . . . . ?
C36 C7 C12 C11 -178.1(3) . . . . ?
C37 P4 C36 C7 -177.35(19) . . . . ?
C37 P4 C36 C40 1.6(2) . . . . ?
C37 C38 C39 C13 179.8(2) . . . . ?
C37 C38 C39 C40 0.9(4) . . . . ?
C38 C39 C40 C36 -0.7(4) . . . . ?
C39 C13 C14 C15 177.7(3) . . . . ?
C39 C13 C18 C17 -177.3(3) . . . . ?
C41 C42 C43 C44 0.1(6) . . . . ?
C42 C41 C46 C45 -1.3(6) . . . . ?
C42 C43 C44 C45 0.0(7) . . . . ?
C43 C44 C45 C46 -0.7(8) . . . . ?
C44 C45 C46 C41 1.4(7) . . . . ?
C46 C41 C42 C43 0.6(5) . . . . ?
C47 C3 C4 C5 -179.7(3) . . . . ?
C47 C48 C49 C50 -0.8(7) . . . . ?
C48 C47 C52 C51 0.2(5) . . . . ?
C48 C49 C50 C51 -1.0(7) . . . . ?
C49 C50 C51 C52 2.4(6) . . . . ?
C50 C51 C52 C47 -2.1(5) . . . . ?
C52 C47 C48 C49 1.2(6) . . . . ?
C53 C54 C55 C56 2.8(4) . . . . ?
C53 C54 C55 C59 -171.1(3) . . . . ?
C54 C53 C58 C57 0.6(4) . . . . ?
C54 C53 B1 C61 23.0(3) . . . . ?
C54 C53 B1 C69 -93.1(3) . . . . ?
C54 C53 B1 C78 146.0(2) . . . . ?
C54 C55 C56 C57 0.0(4) . . . . ?
C54 C55 C59 F13 83.5(4) . . . . ?
C54 C55 C59 F14 -36.9(5) . . . . ?
C54 C55 C59 F15 -157.8(3) . . . . ?
C55 C56 C57 C58 -2.4(4) . . . . ?
C55 C56 C57 C60 -179.4(3) . . . . ?
C56 C55 C59 F13 -90.6(4) . . . . ?
C56 C55 C59 F14 149.0(3) . . . . ?
C56 C55 C59 F15 28.2(5) . . . . ?
C56 C57 C58 C53 2.1(4) . . . . ?
C56 C57 C60 F18 -24.7(5) . . . . ?
C56 C57 C60 F21 86.2(4) . . . . ?
C56 C57 C60 F24 -152.1(4) . . . . ?
C56 C57 C60 F17 -53.2(5) . . . . ?
C56 C57 C60 F20 67.8(5) . . . . ?
C56 C57 C60 F23 -177.7(4) . . . . ?
C56 C57 C60 F16 -91.6(6) . . . . ?
C56 C57 C60 F19 22.9(8) . . . . ?
C56 C57 C60 F22 150.4(7) . . . . ?
C58 C53 C54 C55 -3.0(4) . . . . ?
C58 C53 B1 C61 -164.5(2) . . . . ?
C58 C53 B1 C69 79.4(3) . . . . ?
C58 C53 B1 C78 -41.5(3) . . . . ?
C58 C57 C60 F18 158.3(4) . . . . ?
C58 C57 C60 F21 -90.9(4) . . . . ?
C58 C57 C60 F24 30.8(5) . . . . ?
C58 C57 C60 F17 129.7(4) . . . . ?
C58 C57 C60 F20 -109.3(5) . . . . ?
C58 C57 C60 F23 5.3(5) . . . . ?
C58 C57 C60 F16 91.4(6) . . . . ?
C58 C57 C60 F19 -154.2(7) . . . . ?
C58 C57 C60 F22 -26.6(7) . . . . ?
C59 C55 C56 C57 174.0(3) . . . . ?
C60 C57 C58 C53 179.1(3) . . . . ?
C61 C62 C63 C64 0.8(4) . . . . ?
C61 C62 C63 C68 -176.4(2) . . . . ?
C62 C61 C66 C65 -3.5(4) . . . . ?
C62 C61 B1 C53 127.5(3) . . . . ?
C62 C61 B1 C69 -114.5(3) . . . . ?
C62 C61 B1 C78 6.9(3) . . . . ?
C62 C63 C64 C65 -2.6(4) . . . . ?
C62 C63 C68 F35 -29.3(5) . . . . ?
C62 C63 C68 F39 -146.1(4) . . . . ?
C62 C63 C68 F41 92.7(4) . . . . ?
C62 C63 C68 F36 -63.8(6) . . . . ?
C62 C63 C68 F38 179.2(5) . . . . ?
C62 C63 C68 F42 61.5(6) . . . . ?
C62 C63 C68 F34 -1.8(6) . . . . ?
C62 C63 C68 F37 -120.2(6) . . . . ?
C62 C63 C68 F40 118.2(5) . . . . ?
C63 C64 C65 C66 1.3(5) . . . . ?
C63 C64 C65 C67 -177.6(3) . . . . ?
C64 C63 C68 F35 153.4(4) . . . . ?
C64 C63 C68 F39 36.6(4) . . . . ?
C64 C63 C68 F41 -84.6(5) . . . . ?
C64 C63 C68 F36 118.8(6) . . . . ?
C64 C63 C68 F38 1.9(6) . . . . ?
C64 C63 C68 F42 -115.9(6) . . . . ?
C64 C63 C68 F34 -179.1(5) . . . . ?
C64 C63 C68 F37 62.5(6) . . . . ?
C64 C63 C68 F40 -59.1(6) . . . . ?
C64 C65 C66 C61 1.9(5) . . . . ?
C64 C65 C67 F25 113.8(6) . . . . ?
C64 C65 C67 F28 -11.1(7) . . . . ?
C64 C65 C67 F31 -129.2(5) . . . . ?
C64 C65 C67 F27 41.1(6) . . . . ?
C64 C65 C67 F30 -77.4(8) . . . . ?
C64 C65 C67 F33 155.5(5) . . . . ?
C64 C65 C67 F26 74.5(6) . . . . ?
C64 C65 C67 F29 -43.7(6) . . . . ?
C64 C65 C67 F32 -160.9(5) . . . . ?
C66 C61 C62 C63 2.2(4) . . . . ?
C66 C61 B1 C53 -57.7(3) . . . . ?
C66 C61 B1 C69 60.3(3) . . . . ?
C66 C61 B1 C78 -178.3(2) . . . . ?
C66 C65 C67 F25 -65.1(6) . . . . ?
C66 C65 C67 F28 170.0(6) . . . . ?
C66 C65 C67 F31 52.0(6) . . . . ?
C66 C65 C67 F27 -137.8(5) . . . . ?
C66 C65 C67 F30 103.7(7) . . . . ?
C66 C65 C67 F33 -23.4(6) . . . . ?
C66 C65 C67 F26 -104.3(5) . . . . ?
C66 C65 C67 F29 137.4(4) . . . . ?
C66 C65 C67 F32 20.2(6) . . . . ?
C67 C65 C66 C61 -179.3(3) . . . . ?
C68 C63 C64 C65 174.7(3) . . . . ?
C69 C70 C71 C72 1.0(4) . . . . ?
C69 C70 C71 C76 -175.1(2) . . . . ?
C70 C69 C74 C73 -0.9(3) . . . . ?
C70 C69 B1 C53 14.4(3) . . . . ?
C70 C69 B1 C61 -107.9(3) . . . . ?
C70 C69 B1 C78 131.6(2) . . . . ?
C70 C71 C72 C73 -1.0(4) . . . . ?
C70 C71 C76 F10 83.8(3) . . . . ?
C70 C71 C76 F11 -156.9(2) . . . . ?
C70 C71 C76 F12 -36.3(3) . . . . ?
C71 C72 C73 C74 0.1(4) . . . . ?
C71 C72 C73 C75 177.6(2) . . . . ?
C72 C71 C76 F10 -92.4(3) . . . . ?
C72 C71 C76 F11 26.9(3) . . . . ?
C72 C71 C76 F12 147.5(3) . . . . ?
C72 C73 C74 C69 0.8(4) . . . . ?
C72 C73 C75 F7 153.8(3) . . . . ?
C72 C73 C75 F8 35.8(4) . . . . ?
C72 C73 C75 F9 -83.7(4) . . . . ?
C74 C69 C70 C71 -0.1(3) . . . . ?
C74 C69 B1 C53 -170.4(2) . . . . ?
C74 C69 B1 C61 67.2(3) . . . . ?
C74 C69 B1 C78 -53.2(3) . . . . ?
C74 C73 C75 F7 -28.7(4) . . . . ?
C74 C73 C75 F8 -146.7(3) . . . . ?
C74 C73 C75 F9 93.9(3) . . . . ?
C75 C73 C74 C69 -176.7(2) . . . . ?
C76 C71 C72 C73 175.1(2) . . . . ?
C77 C78 C79 C80 -1.5(3) . . . . ?
C77 C78 B1 C53 -66.7(3) . . . . ?
C77 C78 B1 C61 58.5(3) . . . . ?
C77 C78 B1 C69 175.3(2) . . . . ?
C77 C82 C84 F1 -83.7(3) . . . . ?
C77 C82 C84 F2 36.6(3) . . . . ?
C77 C82 C84 F3 156.2(2) . . . . ?
C78 C77 C82 C81 -0.3(4) . . . . ?
C78 C77 C82 C84 179.7(2) . . . . ?
C78 C79 C80 C81 -0.5(3) . . . . ?
C78 C79 C80 C83 177.4(2) . . . . ?
C79 C78 B1 C53 108.0(2) . . . . ?
C79 C78 B1 C61 -126.9(2) . . . . ?
C79 C78 B1 C69 -10.0(3) . . . . ?
C79 C80 C81 C82 2.1(3) . . . . ?
C79 C80 C83 F4 42.5(3) . . . . ?
C79 C80 C83 F5 163.8(2) . . . . ?
C79 C80 C83 F6 -76.2(3) . . . . ?
C80 C81 C82 C77 -1.8(3) . . . . ?
C80 C81 C82 C84 178.3(2) . . . . ?
C81 C80 C83 F4 -139.7(2) . . . . ?
C81 C80 C83 F5 -18.3(3) . . . . ?
C81 C80 C83 F6 101.6(3) . . . . ?
C81 C82 C84 F1 96.3(3) . . . . ?
C81 C82 C84 F2 -143.4(2) . . . . ?
C81 C82 C84 F3 -23.8(3) . . . . ?
C82 C77 C78 C79 1.9(3) . . . . ?
C82 C77 C78 B1 177.0(2) . . . . ?
C83 C80 C81 C82 -175.7(2) . . . . ?
B1 C53 C54 C55 169.6(3) . . . . ?
B1 C53 C58 C57 -172.7(2) . . . . ?
B1 C61 C62 C63 177.1(2) . . . . ?
B1 C61 C66 C65 -178.7(3) . . . . ?
B1 C69 C70 C71 175.3(2) . . . . ?
B1 C69 C74 C73 -176.3(2) . . . . ?
B1 C78 C79 C80 -176.3(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 2.918
_oxdiff_exptl_absorpt_empirical_full_min 0.461
####################################################################### 
# 
# 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_4
_database_code_depnum_ccdc_archive 'CCDC 2302403'
loop_
_audit_author_name
_audit_author_address
'Zhongshu Li'
;Lehn Institute of Functional Materials (LIFM), School of Chemistry, Sun Yat Sen University
China
;
_audit_update_record             
;
2023-10-20 deposited with the CCDC.	2024-02-21 downloaded from the CCDC.
;
_audit_creation_date             2023-09-15
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C51 H36 O3 P4 Rh), 2(Cl4 Ga), 2(C H2 Cl2)'
_chemical_formula_sum            'C104 H76 Cl12 Ga2 O6 P8 Rh2'
_chemical_formula_weight         2440.06
_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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga -1.2846 0.7763 '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'
P P 0.2955 0.4335 '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'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.28780(10)
_cell_length_b                   16.0822(2)
_cell_length_c                   22.0950(2)
_cell_angle_alpha                98.6030(10)
_cell_angle_beta                 106.9000(10)
_cell_angle_gamma                92.9220(10)
_cell_volume                     5113.54(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    42321
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      73.7550
_cell_measurement_theta_min      2.7830
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.671
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.64669
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.28b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear greenish green'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   greenish
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2448
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0263
_diffrn_reflns_av_unetI/netI     0.0265
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            59935
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        66.010
_diffrn_reflns_theta_max         66.010
_diffrn_reflns_theta_min         2.793
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     59.00  85.00   0.50    0.50    --    0.00  57.00-150.00   52
  2  ω    -28.00  55.00   0.50    0.50    --    0.00  77.00 -30.00  166
  3  ω    -19.00  37.00   0.50    0.50    --    0.00  57.00-150.00  112
  4  ω    -87.00 -50.00   0.50    0.50    --    0.00 -57.00   0.00   74
  5  ω    -13.00  49.00   0.50    0.50    --    0.00  38.00 -60.00  124
  6  ω     17.00  89.00   0.50    0.50    --    0.00  57.00  90.00  144
  7  ω    -14.00  42.00   0.50    0.50    --    0.00  57.00-120.00  112
  8  ω     72.00  98.00   0.50    2.00    --   95.20 -82.00  60.00   52
  9  ω      7.00  34.00   0.50    2.00    --   95.20 -82.00  60.00   54
 10  ω      6.00  56.00   0.50    2.00    --   95.20 -30.00 150.00  100
 11  ω     49.00 127.00   0.50    2.00    --   95.20 -82.00 -90.00  156
 12  ω     11.00 119.00   0.50    2.00    --   95.20 -61.00 -90.00  216
 13  ω      7.00 110.00   0.50    2.00    --   95.20 -82.00-150.00  206
 14  ω      6.00  59.00   0.50    2.00    --   95.20 -61.00  30.00  106
 15  ω     11.00 118.00   0.50    2.00    --   95.20 -82.00  90.00  214
 16  ω      6.00 107.00   0.50    2.00    --   95.20 -30.00  60.00  202
 17  ω     63.00 119.00   0.50    2.00    --   95.20 -61.00 -30.00  112
 18  ω      6.00  59.00   0.50    2.00    --   95.20 -61.00 -30.00  106
 19  ω     72.00 167.00   0.50    2.00    --   95.20  15.00-180.00  190
 20  ω     27.00 105.00   0.50    2.00    --   95.20 -61.00  90.00  156
 21  ω    137.00 176.00   0.50    2.00    --   95.20  15.00 -60.00   78
 22  ω     95.00 121.00   0.50    2.00    --   95.20 -82.00 150.00   52
 23  ω     78.00 121.00   0.50    2.00    --   95.20  15.00 -60.00   86
 24  ω     12.00  91.00   0.50    2.00    --   95.20 -61.00-150.00  158
 25  ω     84.00 110.00   0.50    2.00    --   95.20 -82.00   0.00   52
 26  ω     67.00 109.00   0.50    2.00    --   95.20 -30.00 150.00   84
 27  ω     94.00 120.00   0.50    2.00    --   95.20 -82.00 -30.00   52
 28  ω     31.00  56.00   0.50    2.00    --   95.20 -82.00 -30.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa dual home/near'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0517510000
_diffrn_orient_matrix_UB_12      -0.0792076000
_diffrn_orient_matrix_UB_13      0.0087317000
_diffrn_orient_matrix_UB_21      -0.0321588000
_diffrn_orient_matrix_UB_22      -0.0297152000
_diffrn_orient_matrix_UB_23      -0.0732792000
_diffrn_orient_matrix_UB_31      0.0865530000
_diffrn_orient_matrix_UB_32      0.0482080000
_diffrn_orient_matrix_UB_33      -0.0051162000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                16764
_reflns_number_total             17731
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.28b (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  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.935
_refine_diff_density_min         -1.593
_refine_diff_density_rms         0.100
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1210
_refine_ls_number_reflns         17731
_refine_ls_number_restraints     128
_refine_ls_R_factor_all          0.0472
_refine_ls_R_factor_gt           0.0451
_refine_ls_restrained_S_all      1.050
_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)+(0.0584P)²+16.5138P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1170
_refine_ls_wR_factor_ref         0.1184
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 C1AA-Cl4A
 1.7 with sigma of 0.02
 C1AA-Cl5A
 1.7 with sigma of 0.02
 C0AA-Cl3A
 1.7 with sigma of 0.02
 C0AA-Cl1A
 1.7 with sigma of 0.02
3. Rigid bond restraints
 Cl4A, Cl5A, C1AA, Cl1A, Cl3A, C0AA
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C53, C54, C98, C99, C99, C100
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
4. Uiso/Uaniso restraints and constraints
Cl4A \\sim Cl5A \\sim C1AA \\sim Cl1A \\sim Cl3A \\sim C0AA: within 2A with
sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A
Uanis(C1AA) \\sim Ueq, Uanis(Cl4A) \\sim Ueq, Uanis(Cl5A) \\sim Ueq,
Uanis(C0AA) \\sim Ueq, Uanis(Cl1A) \\sim Ueq, Uanis(Cl3A) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C52) \\sim Ueq, Uanis(C51) \\sim Ueq, Uanis(C53) \\sim Ueq, Uanis(C99)
\\sim Ueq, Uanis(C100) \\sim Ueq, Uanis(C101) \\sim Ueq: with sigma of 0.001
and sigma for terminal atoms of 0.002
Uanis(Cl3A) = Uanis(Cl5A) = Uanis(Cl1A) = Uanis(Cl4A)
Uanis(C1AA) = Uanis(C0AA)
5. Others
 Fixed Sof: Cl4A(0.5) Cl5A(0.5) C1AA(0.5) H1AA(0.5) H1AB(0.5) Cl1A(0.5)
 Cl3A(0.5) C0AA(0.5) H0AA(0.5) H0AB(0.5)
6.a Secondary CH2 refined with riding coordinates:
 C2AA(H2AA,H2AB), C1AA(H1AA,H1AB), C0AA(H0AA,H0AB)
6.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C7(H7), C9(H9), C12(H12), C14(H14), C32(H32), C33(H33),
 C34(H34), C35(H35), C36(H36), C38(H38), C39(H39), C40(H40), C41(H41), C42(H42),
  C44(H44), C45(H45), C46(H46), C47(H47), C48(H48), C50(H50), C51(H51),
 C52(H52), C53(H53), C54(H54), C56(H56), C57(H57), C58(H58), C59(H59), C60(H60),
  C61(H61), C62(H62), C63(H63), C64(H64), C65(H65), C17(H17), C19(H19),
 C22(H22), C24(H24), C27(H27), C29(H29), C68(H68), C69(H69), C70(H70), C71(H71),
  C72(H72), C74(H74), C75(H75), C76(H76), C77(H77), C78(H78), C79(H79),
 C81(H81), C82(H82), C83(H83), C84(H84), C86(H86), C87(H87), C88(H88), C89(H89),
  C90(H90), C92(H92), C93(H93), C94(H94), C95(H95), C96(H96), C97(H97),
 C99(H99), C100(H100), C101(H101), C102(H102)
;
_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 -0.00544(2) 0.46658(2) 0.05362(2) 0.02135(8) Uani 1 1 d . . . . .
P1 P 0.08157(6) 0.57788(6) 0.12014(4) 0.02233(19) Uani 1 1 d . . . . .
P2 P 0.12854(7) 0.63744(6) -0.00804(4) 0.0239(2) Uani 1 1 d . . . . .
P3 P -0.09823(7) 0.57149(6) 0.02228(5) 0.0251(2) Uani 1 1 d . . . . .
P4 P 0.06072(7) 0.40406(6) 0.13783(4) 0.0244(2) Uani 1 1 d . . . . .
O1 O 0.17710(18) 0.61805(16) 0.11744(12) 0.0260(6) Uani 1 1 d . . . . .
O2 O 0.03012(18) 0.66233(15) 0.12344(12) 0.0264(6) Uani 1 1 d . . . . .
O3 O 0.11426(19) 0.56383(16) 0.19349(12) 0.0269(6) Uani 1 1 d . . . . .
C1 C 0.1877(3) 0.6681(2) 0.07250(18) 0.0247(8) Uani 1 1 d . . . . .
C2 C 0.2510(3) 0.7377(2) 0.09750(18) 0.0264(8) Uani 1 1 d . . . . .
H2 H 0.2768 0.7516 0.1428 0.032 Uiso 1 1 calc R U . . .
C3 C 0.2795(3) 0.7891(2) 0.05945(19) 0.0276(8) Uani 1 1 d . . . . .
C4 C 0.2475(3) 0.7696(2) -0.00735(19) 0.0260(8) Uani 1 1 d . . . . .
H4 H 0.2726 0.8049 -0.0302 0.031 Uiso 1 1 calc R U . . .
C5 C 0.1825(3) 0.7037(2) -0.04394(18) 0.0248(8) Uani 1 1 d . . . . .
C6 C -0.0581(3) 0.6612(2) 0.08188(18) 0.0249(8) Uani 1 1 d . . . . .
C7 C -0.1042(3) 0.7305(2) 0.09097(18) 0.0272(8) Uani 1 1 d . . . . .
H7 H -0.0728 0.7782 0.1220 0.033 Uiso 1 1 calc R U . . .
C8 C -0.1961(3) 0.7334(2) 0.05612(19) 0.0273(8) Uani 1 1 d . . . . .
C9 C -0.2452(3) 0.6636(2) 0.01085(19) 0.0284(8) Uani 1 1 d . . . . .
H9 H -0.3084 0.6684 -0.0089 0.034 Uiso 1 1 calc R U . . .
C10 C -0.2131(3) 0.5886(2) -0.00857(18) 0.0281(8) Uani 1 1 d . . . . .
C11 C 0.1227(3) 0.4794(2) 0.20229(18) 0.0243(8) Uani 1 1 d . . . . .
C12 C 0.1749(3) 0.4629(2) 0.25991(18) 0.0267(8) Uani 1 1 d . . . . .
H12 H 0.2030 0.5087 0.2938 0.032 Uiso 1 1 calc R U . . .
C13 C 0.1881(3) 0.3796(2) 0.27040(18) 0.0276(8) Uani 1 1 d . . . . .
C14 C 0.1506(3) 0.3092(2) 0.22269(18) 0.0255(8) Uani 1 1 d . . . . .
H14 H 0.1653 0.2557 0.2337 0.031 Uiso 1 1 calc R U . . .
C15 C 0.0938(3) 0.3091(2) 0.16047(18) 0.0236(8) Uani 1 1 d . . . . .
C31 C 0.3483(3) 0.8630(2) 0.0904(2) 0.0297(9) Uani 1 1 d . . . . .
C32 C 0.3453(3) 0.9364(3) 0.0634(2) 0.0363(10) Uani 1 1 d . . . . .
H32 H 0.2991 0.9388 0.0243 0.044 Uiso 1 1 calc R U . . .
C33 C 0.4090(3) 1.0056(3) 0.0929(3) 0.0437(12) Uani 1 1 d . . . . .
H33 H 0.4060 1.0551 0.0739 0.052 Uiso 1 1 calc R U . . .
C34 C 0.4764(3) 1.0035(3) 0.1493(2) 0.0454(12) Uani 1 1 d . . . . .
H34 H 0.5198 1.0513 0.1695 0.054 Uiso 1 1 calc R U . . .
C35 C 0.4804(3) 0.9313(3) 0.1765(2) 0.0480(12) Uani 1 1 d . . . . .
H35 H 0.5270 0.9294 0.2154 0.058 Uiso 1 1 calc R U . . .
C36 C 0.4173(3) 0.8615(3) 0.1474(2) 0.0396(10) Uani 1 1 d . . . . .
H36 H 0.4211 0.8122 0.1666 0.048 Uiso 1 1 calc R U . . .
C37 C 0.1628(3) 0.6882(3) -0.11506(19) 0.0296(8) Uani 1 1 d . . . . .
C38 C 0.1663(4) 0.6088(3) -0.1478(2) 0.0461(12) Uani 1 1 d . . . . .
H38 H 0.1771 0.5626 -0.1254 0.055 Uiso 1 1 calc R U . . .
C39 C 0.1540(6) 0.5963(4) -0.2136(3) 0.078(2) Uani 1 1 d . . . . .
H39 H 0.1579 0.5420 -0.2357 0.094 Uiso 1 1 calc R U . . .
C40 C 0.1361(6) 0.6624(4) -0.2464(3) 0.083(3) Uani 1 1 d . . . . .
H40 H 0.1282 0.6537 -0.2913 0.100 Uiso 1 1 calc R U . . .
C41 C 0.1295(4) 0.7411(4) -0.2149(2) 0.0612(17) Uani 1 1 d . . . . .
H41 H 0.1137 0.7859 -0.2384 0.073 Uiso 1 1 calc R U . . .
C42 C 0.1458(3) 0.7554(3) -0.1488(2) 0.0367(10) Uani 1 1 d . . . . .
H42 H 0.1454 0.8107 -0.1267 0.044 Uiso 1 1 calc R U . . .
C43 C -0.2437(3) 0.8100(3) 0.0675(2) 0.0322(9) Uani 1 1 d . . . . .
C44 C -0.1973(3) 0.8900(3) 0.0790(2) 0.0406(10) Uani 1 1 d . . . . .
H44 H -0.1342 0.8959 0.0813 0.049 Uiso 1 1 calc R U . . .
C45 C -0.2427(4) 0.9615(3) 0.0871(3) 0.0503(13) Uani 1 1 d . . . . .
H45 H -0.2108 1.0160 0.0944 0.060 Uiso 1 1 calc R U . . .
C46 C -0.3336(4) 0.9538(3) 0.0847(3) 0.0559(14) Uani 1 1 d . . . . .
H46 H -0.3644 1.0028 0.0904 0.067 Uiso 1 1 calc R U . . .
C47 C -0.3800(4) 0.8745(4) 0.0740(3) 0.0602(15) Uani 1 1 d . . . . .
H47 H -0.4427 0.8691 0.0727 0.072 Uiso 1 1 calc R U . . .
C48 C -0.3357(3) 0.8031(3) 0.0652(3) 0.0476(12) Uani 1 1 d . . . . .
H48 H -0.3683 0.7488 0.0576 0.057 Uiso 1 1 calc R U . . .
C49 C -0.2824(3) 0.5252(3) -0.0582(2) 0.0375(10) Uani 1 1 d . . . . .
C50 C -0.3065(4) 0.5339(4) -0.1223(2) 0.0553(15) Uani 1 1 d . . . . .
H50 H -0.2742 0.5753 -0.1365 0.066 Uiso 1 1 calc R U . . .
C51 C -0.3814(5) 0.4787(4) -0.1663(3) 0.0683(16) Uani 1 1 d . U . . .
H51 H -0.4001 0.4826 -0.2106 0.082 Uiso 1 1 calc R U . . .
C52 C -0.4254(5) 0.4205(5) -0.1440(4) 0.0755(18) Uani 1 1 d . U . . .
H52 H -0.4748 0.3840 -0.1740 0.091 Uiso 1 1 calc R U . . .
C53 C -0.4034(4) 0.4115(4) -0.0822(3) 0.0614(13) Uani 1 1 d . U . . .
H53 H -0.4364 0.3698 -0.0688 0.074 Uiso 1 1 calc R U . . .
C54 C -0.3313(4) 0.4646(3) -0.0383(3) 0.0551(13) Uani 1 1 d . U . . .
H54 H -0.3150 0.4597 0.0058 0.066 Uiso 1 1 calc R U . . .
C55 C 0.2431(3) 0.3681(3) 0.3355(2) 0.0363(10) Uani 1 1 d . . . . .
C56 C 0.3189(4) 0.4251(3) 0.3712(2) 0.0495(13) Uani 1 1 d . . . . .
H56 H 0.3392 0.4684 0.3521 0.059 Uiso 1 1 calc R U . . .
C57 C 0.3647(5) 0.4191(4) 0.4341(3) 0.0672(19) Uani 1 1 d . . . . .
H57 H 0.4161 0.4583 0.4580 0.081 Uiso 1 1 calc R U . . .
C58 C 0.3359(5) 0.3569(3) 0.4618(3) 0.076(2) Uani 1 1 d . . . . .
H58 H 0.3663 0.3538 0.5054 0.091 Uiso 1 1 calc R U . . .
C59 C 0.2632(5) 0.2987(3) 0.4268(2) 0.0645(18) Uani 1 1 d . . . . .
H59 H 0.2452 0.2545 0.4461 0.077 Uiso 1 1 calc R U . . .
C60 C 0.2156(4) 0.3035(3) 0.3638(2) 0.0461(12) Uani 1 1 d . . . . .
H60 H 0.1649 0.2634 0.3402 0.055 Uiso 1 1 calc R U . . .
C61 C 0.0295(3) 0.1570(2) 0.1346(2) 0.0312(9) Uani 1 1 d . . . . .
H61 H 0.0436 0.1555 0.1792 0.037 Uiso 1 1 calc R U . . .
C62 C -0.0158(3) 0.0870(3) 0.0905(2) 0.0396(10) Uani 1 1 d . . . . .
H62 H -0.0319 0.0373 0.1049 0.048 Uiso 1 1 calc R U . . .
C63 C -0.0382(3) 0.0884(3) 0.0251(2) 0.0416(11) Uani 1 1 d . . . . .
H63 H -0.0731 0.0413 -0.0050 0.050 Uiso 1 1 calc R U . . .
C64 C -0.0096(3) 0.1584(3) 0.0041(2) 0.0364(10) Uani 1 1 d . . . . .
H64 H -0.0220 0.1587 -0.0405 0.044 Uiso 1 1 calc R U . . .
C65 C 0.0374(3) 0.2283(2) 0.04836(19) 0.0297(8) Uani 1 1 d . . . . .
H65 H 0.0582 0.2759 0.0337 0.036 Uiso 1 1 calc R U . . .
C66 C 0.0547(3) 0.2302(2) 0.11413(18) 0.0246(8) Uani 1 1 d . . . . .
Rh2 Rh 0.57374(2) 0.97735(2) 0.47990(2) 0.01770(7) Uani 1 1 d . . . . .
P5 P 0.53509(6) 0.84082(5) 0.47529(4) 0.02086(19) Uani 1 1 d . . . . .
P6 P 0.57353(6) 0.97899(5) 0.58825(4) 0.02023(18) Uani 1 1 d . . . . .
P7 P 0.64215(6) 0.92165(6) 0.40762(4) 0.02142(19) Uani 1 1 d . . . . .
P8 P 0.33355(6) 0.89457(6) 0.48848(4) 0.02246(19) Uani 1 1 d . . . . .
O4 O 0.54701(19) 0.81268(15) 0.54335(12) 0.0262(6) Uani 1 1 d . . . . .
O5 O 0.59874(19) 0.78094(15) 0.44596(13) 0.0263(6) Uani 1 1 d . . . . .
O6 O 0.43844(18) 0.78906(15) 0.43702(12) 0.0244(5) Uani 1 1 d . . . . .
C16 C 0.5762(2) 0.8736(2) 0.59852(17) 0.0222(7) Uani 1 1 d . . . . .
C17 C 0.6033(3) 0.8437(2) 0.65542(18) 0.0246(8) Uani 1 1 d . . . . .
H17 H 0.6002 0.7843 0.6545 0.030 Uiso 1 1 calc R U . . .
C18 C 0.6354(2) 0.8979(2) 0.71475(18) 0.0236(8) Uani 1 1 d . . . . .
C19 C 0.6432(3) 0.9858(2) 0.71811(18) 0.0246(8) Uani 1 1 d . . . . .
H19 H 0.6657 1.0186 0.7600 0.029 Uiso 1 1 calc R U . . .
C20 C 0.6218(2) 1.0307(2) 0.66762(17) 0.0220(7) Uani 1 1 d . . . . .
C21 C 0.6717(2) 0.9381(2) 0.34025(18) 0.0245(8) Uani 1 1 d . . . . .
C22 C 0.6986(3) 0.8699(3) 0.30473(19) 0.0294(8) Uani 1 1 d . . . . .
H22 H 0.7187 0.8821 0.2699 0.035 Uiso 1 1 calc R U . . .
C23 C 0.6994(3) 0.7863(3) 0.31457(19) 0.0298(9) Uani 1 1 d . . . . .
C24 C 0.6658(3) 0.7578(2) 0.36101(19) 0.0278(8) Uani 1 1 d . . . . .
H24 H 0.6638 0.6994 0.3639 0.033 Uiso 1 1 calc R U . . .
C25 C 0.6360(2) 0.8127(2) 0.40217(18) 0.0231(7) Uani 1 1 d . . . . .
C26 C 0.3573(3) 0.7982(2) 0.45366(17) 0.0246(8) Uani 1 1 d . . . . .
C27 C 0.2972(3) 0.7261(2) 0.43545(18) 0.0294(9) Uani 1 1 d . . . . .
H27 H 0.3179 0.6749 0.4196 0.035 Uiso 1 1 calc R U . . .
C28 C 0.2075(3) 0.7240(3) 0.43900(19) 0.0343(9) Uani 1 1 d . . . . .
C29 C 0.1727(3) 0.7960(3) 0.4623(2) 0.0340(9) Uani 1 1 d . . . . .
H29 H 0.1105 0.7900 0.4620 0.041 Uiso 1 1 calc R U . . .
C30 C 0.2200(3) 0.8758(3) 0.48607(18) 0.0280(8) Uani 1 1 d . . . . .
C67 C 0.6629(3) 0.8616(2) 0.77465(18) 0.0265(8) Uani 1 1 d . . . . .
C68 C 0.6166(3) 0.7867(3) 0.7794(2) 0.0342(9) Uani 1 1 d . . . . .
H68 H 0.5680 0.7580 0.7437 0.041 Uiso 1 1 calc R U . . .
C69 C 0.6414(3) 0.7544(3) 0.8361(2) 0.0413(11) Uani 1 1 d . . . . .
H69 H 0.6096 0.7036 0.8391 0.050 Uiso 1 1 calc R U . . .
C70 C 0.7118(3) 0.7955(3) 0.8880(2) 0.0434(11) Uani 1 1 d . . . . .
H70 H 0.7279 0.7736 0.9270 0.052 Uiso 1 1 calc R U . . .
C71 C 0.7591(3) 0.8688(3) 0.8835(2) 0.0388(10) Uani 1 1 d . . . . .
H71 H 0.8084 0.8966 0.9191 0.047 Uiso 1 1 calc R U . . .
C72 C 0.7347(3) 0.9017(3) 0.82728(19) 0.0308(9) Uani 1 1 d . . . . .
H72 H 0.7673 0.9522 0.8246 0.037 Uiso 1 1 calc R U . . .
C73 C 0.6412(3) 1.1249(2) 0.68497(17) 0.0232(7) Uani 1 1 d . . . . .
C74 C 0.5770(3) 1.1749(2) 0.70055(18) 0.0277(8) Uani 1 1 d . . . . .
H74 H 0.5181 1.1497 0.6977 0.033 Uiso 1 1 calc R U . . .
C75 C 0.5983(3) 1.2617(3) 0.7203(2) 0.0335(9) Uani 1 1 d . . . . .
H75 H 0.5533 1.2959 0.7295 0.040 Uiso 1 1 calc R U . . .
C76 C 0.6852(3) 1.2982(3) 0.7265(2) 0.0356(10) Uani 1 1 d . . . . .
H76 H 0.7000 1.3574 0.7402 0.043 Uiso 1 1 calc R U . . .
C77 C 0.7501(3) 1.2483(3) 0.7129(2) 0.0354(10) Uani 1 1 d . . . . .
H77 H 0.8102 1.2732 0.7183 0.042 Uiso 1 1 calc R U . . .
C78 C 0.7283(3) 1.1619(3) 0.69142(19) 0.0292(8) Uani 1 1 d . . . . .
H78 H 0.7729 1.1282 0.6811 0.035 Uiso 1 1 calc R U . . .
C79 C 0.6184(3) 1.0834(3) 0.33942(19) 0.0295(8) Uani 1 1 d . . . . .
H79 H 0.5803 1.0697 0.3644 0.035 Uiso 1 1 calc R U . . .
C80 C 0.6714(3) 1.0228(3) 0.32077(18) 0.0265(8) Uani 1 1 d . . . . .
C81 C 0.7235(3) 1.0431(3) 0.2813(3) 0.0461(12) Uani 1 1 d . . . . .
H81 H 0.7605 1.0031 0.2676 0.055 Uiso 1 1 calc R U . . .
C82 C 0.7211(4) 1.1212(4) 0.2623(3) 0.0605(16) Uani 1 1 d . . . . .
H82 H 0.7548 1.1334 0.2342 0.073 Uiso 1 1 calc R U . . .
C83 C 0.6710(4) 1.1816(3) 0.2831(3) 0.0519(13) Uani 1 1 d . . . . .
H83 H 0.6716 1.2356 0.2706 0.062 Uiso 1 1 calc R U . . .
C84 C 0.6192(3) 1.1630(3) 0.3228(2) 0.0383(10) Uani 1 1 d . . . . .
H84 H 0.5850 1.2043 0.3382 0.046 Uiso 1 1 calc R U . . .
C85 C 0.7365(3) 0.7261(3) 0.2727(2) 0.0361(10) Uani 1 1 d . . . . .
C86 C 0.8200(3) 0.7490(3) 0.2627(2) 0.0378(10) Uani 1 1 d . . . . .
H86 H 0.8521 0.8029 0.2826 0.045 Uiso 1 1 calc R U . . .
C87 C 0.8563(4) 0.6942(3) 0.2243(2) 0.0475(12) Uani 1 1 d . . . . .
H87 H 0.9143 0.7094 0.2192 0.057 Uiso 1 1 calc R U . . .
C88 C 0.8080(5) 0.6174(4) 0.1933(3) 0.0620(16) Uani 1 1 d . . . . .
H88 H 0.8309 0.5810 0.1647 0.074 Uiso 1 1 calc R U . . .
C89 C 0.7265(5) 0.5931(4) 0.2036(3) 0.0693(18) Uani 1 1 d . . . . .
H89 H 0.6943 0.5395 0.1827 0.083 Uiso 1 1 calc R U . . .
C90 C 0.6910(4) 0.6461(3) 0.2444(3) 0.0522(13) Uani 1 1 d . . . . .
H90 H 0.6362 0.6281 0.2529 0.063 Uiso 1 1 calc R U . . .
C91 C 0.1732(3) 0.9462(3) 0.5101(2) 0.0324(9) Uani 1 1 d . . . . .
C92 C 0.1659(3) 1.0200(3) 0.4834(2) 0.0360(10) Uani 1 1 d . . . . .
H92 H 0.1903 1.0257 0.4491 0.043 Uiso 1 1 calc R U . . .
C93 C 0.1225(3) 1.0852(3) 0.5077(3) 0.0473(12) Uani 1 1 d . . . . .
H93 H 0.1166 1.1354 0.4895 0.057 Uiso 1 1 calc R U . . .
C94 C 0.0878(3) 1.0776(4) 0.5581(3) 0.0524(14) Uani 1 1 d . . . . .
H94 H 0.0600 1.1230 0.5753 0.063 Uiso 1 1 calc R U . . .
C95 C 0.0937(3) 1.0040(4) 0.5835(2) 0.0502(13) Uani 1 1 d . . . . .
H95 H 0.0686 0.9985 0.6175 0.060 Uiso 1 1 calc R U . . .
C96 C 0.1358(3) 0.9385(3) 0.5598(2) 0.0400(11) Uani 1 1 d . . . . .
H96 H 0.1394 0.8879 0.5774 0.048 Uiso 1 1 calc R U . . .
C97 C 0.1772(4) 0.5691(3) 0.4348(2) 0.0449(11) Uani 1 1 d . . . . .
H97 H 0.2372 0.5696 0.4634 0.054 Uiso 1 1 calc R U . . .
C98 C 0.1478(4) 0.6433(3) 0.4150(2) 0.0509(11) Uani 1 1 d . U . . .
C99 C 0.0645(5) 0.6394(5) 0.3707(3) 0.0753(14) Uani 1 1 d . U . . .
H99 H 0.0413 0.6893 0.3568 0.090 Uiso 1 1 calc R U . . .
C100 C 0.0126(5) 0.5598(5) 0.3452(4) 0.0786(14) Uani 1 1 d . U . . .
H100 H -0.0422 0.5554 0.3103 0.094 Uiso 1 1 calc R U . . .
C101 C 0.0400(6) 0.4892(6) 0.3700(4) 0.090(2) Uani 1 1 d . U . . .
H101 H 0.0016 0.4374 0.3560 0.108 Uiso 1 1 calc R U . . .
C102 C 0.1205(4) 0.4941(3) 0.4136(3) 0.0589(15) Uani 1 1 d . . . . .
H102 H 0.1402 0.4452 0.4309 0.071 Uiso 1 1 calc R U . . .
Ga1 Ga 0.39167(5) 0.53558(4) 0.64224(3) 0.05514(18) Uani 1 1 d . . . . .
Cl1 Cl 0.42452(16) 0.59972(13) 0.74093(8) 0.0912(6) Uani 1 1 d . . . . .
Cl2 Cl 0.48392(12) 0.43608(8) 0.64213(7) 0.0665(4) Uani 1 1 d . . . . .
Cl3 Cl 0.25291(15) 0.47755(16) 0.60912(14) 0.1262(10) Uani 1 1 d . . . . .
Cl4 Cl 0.41288(14) 0.62532(9) 0.58256(8) 0.0775(5) Uani 1 1 d . . . . .
Ga2 Ga 0.05325(3) 0.97167(3) 0.26270(2) 0.03035(12) Uani 1 1 d . . . . .
Cl5 Cl 0.15789(8) 1.07248(7) 0.31809(6) 0.0452(3) Uani 1 1 d . . . . .
Cl6 Cl -0.07599(8) 1.02650(10) 0.23382(7) 0.0586(4) Uani 1 1 d . . . . .
Cl7 Cl 0.08723(8) 0.91307(8) 0.17768(5) 0.0435(3) Uani 1 1 d . . . . .
Cl8 Cl 0.04231(8) 0.87452(7) 0.31941(6) 0.0445(3) Uani 1 1 d . . . . .
Cl0A Cl 0.4530(2) 0.64191(17) 0.92424(14) 0.1300(9) Uani 1 1 d . . . . .
Cl2A Cl 0.42917(14) 0.81861(12) 0.91991(11) 0.0908(6) Uani 1 1 d . . . . .
C2AA C 0.4073(5) 0.7159(5) 0.8774(4) 0.0780(19) Uani 1 1 d . . . . .
H2AA H 0.3401 0.7016 0.8592 0.094 Uiso 1 1 calc R U . . .
H2AB H 0.4335 0.7129 0.8411 0.094 Uiso 1 1 calc R U . . .
Cl4A Cl 0.9035(4) 0.7074(3) 0.4314(3) 0.1179(9) Uani 0.5 1 d D U P A 1
Cl5A Cl 1.0245(4) 0.6945(4) 0.5566(3) 0.1179(9) Uani 0.5 1 d D U P A 1
C1AA C 0.9507(9) 0.6530(9) 0.4885(5) 0.080(2) Uani 0.5 1 d D U P A 1
H1AA H 0.8992 0.6244 0.4988 0.096 Uiso 0.5 1 calc R U P A 1
H1AB H 0.9805 0.6079 0.4687 0.096 Uiso 0.5 1 calc R U P A 1
Cl1A Cl 1.1677(4) 0.7056(3) 0.5956(3) 0.1179(9) Uani 0.5 1 d D U P B 2
Cl3A Cl 0.9857(4) 0.7181(4) 0.5685(3) 0.1179(9) Uani 0.5 1 d D U P B 2
C0AA C 1.0738(9) 0.6508(9) 0.5583(6) 0.080(2) Uani 0.5 1 d D U P B 2
H0AA H 1.0686 0.5989 0.5765 0.096 Uiso 0.5 1 calc R U P B 2
H0AB H 1.0685 0.6346 0.5122 0.096 Uiso 0.5 1 calc R U P B 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 Rh1 2.7876(5) 2_565 ?
Rh1 P1 2.2287(9) . ?
Rh1 P2 2.3297(9) 2_565 ?
Rh1 P3 2.3154(10) . ?
Rh1 P3 2.6525(11) 2_565 ?
Rh1 P4 2.2506(9) . ?
P1 O1 1.587(3) . ?
P1 O2 1.607(3) . ?
P1 O3 1.606(3) . ?
P2 Rh1 2.3297(9) 2_565 ?
P2 C1 1.727(4) . ?
P2 C5 1.729(4) . ?
P3 Rh1 2.6526(11) 2_565 ?
P3 C6 1.751(4) . ?
P3 C10 1.741(4) . ?
P4 C11 1.725(4) . ?
P4 C15 1.732(4) . ?
O1 C1 1.407(4) . ?
O2 C6 1.391(5) . ?
O3 C11 1.407(4) . ?
C1 C2 1.374(5) . ?
C2 H2 0.9500 . ?
C2 C3 1.402(5) . ?
C3 C4 1.394(6) . ?
C3 C31 1.483(5) . ?
C4 H4 0.9500 . ?
C4 C5 1.390(5) . ?
C5 C37 1.491(5) . ?
C6 C7 1.370(6) . ?
C7 H7 0.9500 . ?
C7 C8 1.399(6) . ?
C8 C9 1.403(6) . ?
C8 C43 1.488(6) . ?
C9 H9 0.9500 . ?
C9 C10 1.382(6) . ?
C10 C49 1.498(5) . ?
C11 C12 1.364(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.409(5) . ?
C13 C14 1.394(6) . ?
C13 C55 1.485(5) . ?
C14 H14 0.9500 . ?
C14 C15 1.396(5) . ?
C15 C66 1.482(5) . ?
C31 C32 1.398(6) . ?
C31 C36 1.393(6) . ?
C32 H32 0.9500 . ?
C32 C33 1.384(6) . ?
C33 H33 0.9500 . ?
C33 C34 1.374(8) . ?
C34 H34 0.9500 . ?
C34 C35 1.381(8) . ?
C35 H35 0.9500 . ?
C35 C36 1.384(6) . ?
C36 H36 0.9500 . ?
C37 C38 1.382(6) . ?
C37 C42 1.396(6) . ?
C38 H38 0.9500 . ?
C38 C39 1.391(7) . ?
C39 H39 0.9500 . ?
C39 C40 1.369(9) . ?
C40 H40 0.9500 . ?
C40 C41 1.375(10) . ?
C41 H41 0.9500 . ?
C41 C42 1.388(7) . ?
C42 H42 0.9500 . ?
C43 C44 1.388(6) . ?
C43 C48 1.392(7) . ?
C44 H44 0.9500 . ?
C44 C45 1.389(6) . ?
C45 H45 0.9500 . ?
C45 C46 1.373(8) . ?
C46 H46 0.9500 . ?
C46 C47 1.380(8) . ?
C47 H47 0.9500 . ?
C47 C48 1.380(7) . ?
C48 H48 0.9500 . ?
C49 C50 1.388(7) . ?
C49 C54 1.394(7) . ?
C50 H50 0.9500 . ?
C50 C51 1.426(8) . ?
C51 H51 0.9500 . ?
C51 C52 1.355(10) . ?
C52 H52 0.9500 . ?
C52 C53 1.341(9) . ?
C53 H53 0.9500 . ?
C53 C54 1.386(8) . ?
C54 H54 0.9500 . ?
C55 C56 1.396(7) . ?
C55 C60 1.395(7) . ?
C56 H56 0.9500 . ?
C56 C57 1.382(7) . ?
C57 H57 0.9500 . ?
C57 C58 1.366(10) . ?
C58 H58 0.9500 . ?
C58 C59 1.373(9) . ?
C59 H59 0.9500 . ?
C59 C60 1.388(7) . ?
C60 H60 0.9500 . ?
C61 H61 0.9500 . ?
C61 C62 1.378(6) . ?
C61 C66 1.397(5) . ?
C62 H62 0.9500 . ?
C62 C63 1.387(7) . ?
C63 H63 0.9500 . ?
C63 C64 1.378(7) . ?
C64 H64 0.9500 . ?
C64 C65 1.384(6) . ?
C65 H65 0.9500 . ?
C65 C66 1.395(6) . ?
Rh2 Rh2 2.7462(5) 2_676 ?
Rh2 P5 2.2240(9) . ?
Rh2 P6 2.3912(9) . ?
Rh2 P6 2.5172(9) 2_676 ?
Rh2 P7 2.2550(9) . ?
Rh2 P8 2.3316(9) 2_676 ?
P5 O4 1.598(3) . ?
P5 O5 1.603(3) . ?
P5 O6 1.590(3) . ?
P6 Rh2 2.5172(9) 2_676 ?
P6 C16 1.744(4) . ?
P6 C20 1.750(4) . ?
P7 C21 1.728(4) . ?
P7 C25 1.734(4) . ?
P8 Rh2 2.3316(9) 2_676 ?
P8 C26 1.728(4) . ?
P8 C30 1.730(4) . ?
O4 C16 1.388(4) . ?
O5 C25 1.400(4) . ?
O6 C26 1.401(5) . ?
C16 C17 1.372(5) . ?
C17 H17 0.9500 . ?
C17 C18 1.400(5) . ?
C18 C19 1.402(5) . ?
C18 C67 1.483(5) . ?
C19 H19 0.9500 . ?
C19 C20 1.388(5) . ?
C20 C73 1.497(5) . ?
C21 C22 1.402(5) . ?
C21 C80 1.488(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.393(6) . ?
C23 C24 1.397(6) . ?
C23 C85 1.487(6) . ?
C24 H24 0.9500 . ?
C24 C25 1.362(5) . ?
C26 C27 1.375(5) . ?
C27 H27 0.9500 . ?
C27 C28 1.396(6) . ?
C28 C29 1.390(7) . ?
C28 C98 1.479(6) . ?
C29 H29 0.9500 . ?
C29 C30 1.389(6) . ?
C30 C91 1.484(6) . ?
C67 C68 1.400(6) . ?
C67 C72 1.391(6) . ?
C68 H68 0.9500 . ?
C68 C69 1.386(6) . ?
C69 H69 0.9500 . ?
C69 C70 1.378(7) . ?
C70 H70 0.9500 . ?
C70 C71 1.382(7) . ?
C71 H71 0.9500 . ?
C71 C72 1.382(6) . ?
C72 H72 0.9500 . ?
C73 C74 1.386(6) . ?
C73 C78 1.390(6) . ?
C74 H74 0.9500 . ?
C74 C75 1.390(6) . ?
C75 H75 0.9500 . ?
C75 C76 1.385(6) . ?
C76 H76 0.9500 . ?
C76 C77 1.379(7) . ?
C77 H77 0.9500 . ?
C77 C78 1.389(6) . ?
C78 H78 0.9500 . ?
C79 H79 0.9500 . ?
C79 C80 1.390(6) . ?
C79 C84 1.384(6) . ?
C80 C81 1.401(6) . ?
C81 H81 0.9500 . ?
C81 C82 1.382(7) . ?
C82 H82 0.9500 . ?
C82 C83 1.375(8) . ?
C83 H83 0.9500 . ?
C83 C84 1.393(7) . ?
C84 H84 0.9500 . ?
C85 C86 1.397(7) . ?
C85 C90 1.394(7) . ?
C86 H86 0.9500 . ?
C86 C87 1.380(6) . ?
C87 H87 0.9500 . ?
C87 C88 1.379(8) . ?
C88 H88 0.9500 . ?
C88 C89 1.377(9) . ?
C89 H89 0.9500 . ?
C89 C90 1.392(7) . ?
C90 H90 0.9500 . ?
C91 C92 1.398(6) . ?
C91 C96 1.396(6) . ?
C92 H92 0.9500 . ?
C92 C93 1.392(7) . ?
C93 H93 0.9500 . ?
C93 C94 1.384(8) . ?
C94 H94 0.9500 . ?
C94 C95 1.380(8) . ?
C95 H95 0.9500 . ?
C95 C96 1.378(7) . ?
C96 H96 0.9500 . ?
C97 H97 0.9500 . ?
C97 C98 1.384(7) . ?
C97 C102 1.383(7) . ?
C98 C99 1.353(9) . ?
C99 H99 0.9500 . ?
C99 C100 1.417(10) . ?
C100 H100 0.9500 . ?
C100 C101 1.367(10) . ?
C101 H101 0.9500 . ?
C101 C102 1.314(10) . ?
C102 H102 0.9500 . ?
Ga1 Cl1 2.1699(18) . ?
Ga1 Cl2 2.1865(17) . ?
Ga1 Cl3 2.144(2) . ?
Ga1 Cl4 2.1673(17) . ?
Ga2 Cl5 2.1654(12) . ?
Ga2 Cl6 2.1682(13) . ?
Ga2 Cl7 2.1849(12) . ?
Ga2 Cl8 2.1726(12) . ?
Cl0A C2AA 1.735(8) . ?
Cl2A C2AA 1.737(7) . ?
C2AA H2AA 0.9900 . ?
C2AA H2AB 0.9900 . ?
Cl4A C1AA 1.657(12) . ?
Cl5A C1AA 1.617(13) . ?
C1AA H1AA 0.9900 . ?
C1AA H1AB 0.9900 . ?
Cl1A C0AA 1.576(13) . ?
Cl3A C0AA 1.814(13) . ?
C0AA H0AA 0.9900 . ?
C0AA H0AB 0.9900 . ?

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
P1 Rh1 Rh1 91.68(3) . 2_565 ?
P1 Rh1 P2 159.45(4) . 2_565 ?
P1 Rh1 P3 80.87(3) . . ?
P1 Rh1 P3 99.74(3) . 2_565 ?
P1 Rh1 P4 80.51(3) . . ?
P2 Rh1 Rh1 101.42(3) 2_565 2_565 ?
P2 Rh1 P3 100.81(3) 2_565 2_565 ?
P3 Rh1 Rh1 61.82(3) . 2_565 ?
P3 Rh1 Rh1 50.30(2) 2_565 2_565 ?
P3 Rh1 P2 91.36(3) . 2_565 ?
P3 Rh1 P3 112.12(3) . 2_565 ?
P4 Rh1 Rh1 149.71(3) . 2_565 ?
P4 Rh1 P2 95.22(3) . 2_565 ?
P4 Rh1 P3 143.38(4) . . ?
P4 Rh1 P3 101.94(3) . 2_565 ?
O1 P1 Rh1 126.56(11) . . ?
O1 P1 O2 98.81(14) . . ?
O1 P1 O3 97.91(14) . . ?
O2 P1 Rh1 114.09(10) . . ?
O3 P1 Rh1 112.81(10) . . ?
O3 P1 O2 103.28(14) . . ?
C1 P2 Rh1 127.26(13) . 2_565 ?
C1 P2 C5 102.64(18) . . ?
C5 P2 Rh1 130.09(14) . 2_565 ?
Rh1 P3 Rh1 67.88(3) . 2_565 ?
C6 P3 Rh1 116.08(13) . 2_565 ?
C6 P3 Rh1 107.03(13) . . ?
C10 P3 Rh1 141.67(14) . . ?
C10 P3 Rh1 121.60(14) . 2_565 ?
C10 P3 C6 100.81(19) . . ?
C11 P4 Rh1 109.91(13) . . ?
C11 P4 C15 104.11(18) . . ?
C15 P4 Rh1 144.23(14) . . ?
C1 O1 P1 124.9(2) . . ?
C6 O2 P1 118.5(2) . . ?
C11 O3 P1 115.4(2) . . ?
O1 C1 P2 120.4(3) . . ?
C2 C1 P2 124.7(3) . . ?
C2 C1 O1 114.9(3) . . ?
C1 C2 H2 118.4 . . ?
C1 C2 C3 123.2(4) . . ?
C3 C2 H2 118.4 . . ?
C2 C3 C31 119.7(4) . . ?
C4 C3 C2 121.0(3) . . ?
C4 C3 C31 119.2(3) . . ?
C3 C4 H4 116.7 . . ?
C5 C4 C3 126.6(4) . . ?
C5 C4 H4 116.7 . . ?
C4 C5 P2 121.1(3) . . ?
C4 C5 C37 118.9(3) . . ?
C37 C5 P2 120.0(3) . . ?
O2 C6 P3 116.4(3) . . ?
C7 C6 P3 126.5(3) . . ?
C7 C6 O2 117.1(3) . . ?
C6 C7 H7 118.9 . . ?
C6 C7 C8 122.2(4) . . ?
C8 C7 H7 118.9 . . ?
C7 C8 C9 120.5(4) . . ?
C7 C8 C43 120.5(4) . . ?
C9 C8 C43 119.0(4) . . ?
C8 C9 H9 116.0 . . ?
C10 C9 C8 128.0(4) . . ?
C10 C9 H9 116.0 . . ?
C9 C10 P3 121.1(3) . . ?
C9 C10 C49 115.8(4) . . ?
C49 C10 P3 123.1(3) . . ?
O3 C11 P4 115.4(3) . . ?
C12 C11 P4 125.2(3) . . ?
C12 C11 O3 119.4(3) . . ?
C11 C12 H12 119.2 . . ?
C11 C12 C13 121.5(4) . . ?
C13 C12 H12 119.2 . . ?
C12 C13 C55 117.4(4) . . ?
C14 C13 C12 122.6(3) . . ?
C14 C13 C55 120.0(3) . . ?
C13 C14 H14 116.5 . . ?
C13 C14 C15 127.0(3) . . ?
C15 C14 H14 116.5 . . ?
C14 C15 P4 119.1(3) . . ?
C14 C15 C66 122.6(3) . . ?
C66 C15 P4 118.1(3) . . ?
C32 C31 C3 120.8(4) . . ?
C36 C31 C3 121.0(4) . . ?
C36 C31 C32 118.2(4) . . ?
C31 C32 H32 119.7 . . ?
C33 C32 C31 120.6(4) . . ?
C33 C32 H32 119.7 . . ?
C32 C33 H33 119.7 . . ?
C34 C33 C32 120.7(5) . . ?
C34 C33 H33 119.7 . . ?
C33 C34 H34 120.3 . . ?
C33 C34 C35 119.3(4) . . ?
C35 C34 H34 120.3 . . ?
C34 C35 H35 119.7 . . ?
C34 C35 C36 120.7(5) . . ?
C36 C35 H35 119.7 . . ?
C31 C36 H36 119.7 . . ?
C35 C36 C31 120.6(5) . . ?
C35 C36 H36 119.7 . . ?
C38 C37 C5 120.8(4) . . ?
C38 C37 C42 119.2(4) . . ?
C42 C37 C5 119.9(4) . . ?
C37 C38 H38 119.9 . . ?
C37 C38 C39 120.3(5) . . ?
C39 C38 H38 119.9 . . ?
C38 C39 H39 120.0 . . ?
C40 C39 C38 120.1(6) . . ?
C40 C39 H39 120.0 . . ?
C39 C40 H40 119.8 . . ?
C39 C40 C41 120.3(5) . . ?
C41 C40 H40 119.8 . . ?
C40 C41 H41 119.9 . . ?
C40 C41 C42 120.2(5) . . ?
C42 C41 H41 119.9 . . ?
C37 C42 H42 120.1 . . ?
C41 C42 C37 119.8(5) . . ?
C41 C42 H42 120.1 . . ?
C44 C43 C8 120.4(4) . . ?
C44 C43 C48 118.7(4) . . ?
C48 C43 C8 120.9(4) . . ?
C43 C44 H44 119.8 . . ?
C43 C44 C45 120.3(4) . . ?
C45 C44 H44 119.8 . . ?
C44 C45 H45 119.8 . . ?
C46 C45 C44 120.4(5) . . ?
C46 C45 H45 119.8 . . ?
C45 C46 H46 120.1 . . ?
C45 C46 C47 119.7(5) . . ?
C47 C46 H46 120.1 . . ?
C46 C47 H47 119.8 . . ?
C46 C47 C48 120.4(5) . . ?
C48 C47 H47 119.8 . . ?
C43 C48 H48 119.8 . . ?
C47 C48 C43 120.5(5) . . ?
C47 C48 H48 119.8 . . ?
C50 C49 C10 120.1(5) . . ?
C50 C49 C54 120.2(5) . . ?
C54 C49 C10 119.1(4) . . ?
C49 C50 H50 121.1 . . ?
C49 C50 C51 117.8(6) . . ?
C51 C50 H50 121.1 . . ?
C50 C51 H51 120.5 . . ?
C52 C51 C50 119.1(7) . . ?
C52 C51 H51 120.5 . . ?
C51 C52 H52 118.0 . . ?
C53 C52 C51 124.0(7) . . ?
C53 C52 H52 118.0 . . ?
C52 C53 H53 120.9 . . ?
C52 C53 C54 118.2(6) . . ?
C54 C53 H53 120.9 . . ?
C49 C54 H54 119.6 . . ?
C53 C54 C49 120.8(6) . . ?
C53 C54 H54 119.6 . . ?
C56 C55 C13 120.7(4) . . ?
C60 C55 C13 120.1(4) . . ?
C60 C55 C56 119.0(4) . . ?
C55 C56 H56 119.7 . . ?
C57 C56 C55 120.6(5) . . ?
C57 C56 H56 119.7 . . ?
C56 C57 H57 120.0 . . ?
C58 C57 C56 119.9(6) . . ?
C58 C57 H57 120.0 . . ?
C57 C58 H58 119.9 . . ?
C57 C58 C59 120.2(5) . . ?
C59 C58 H58 119.9 . . ?
C58 C59 H59 119.5 . . ?
C58 C59 C60 121.1(5) . . ?
C60 C59 H59 119.5 . . ?
C55 C60 H60 120.5 . . ?
C59 C60 C55 119.1(5) . . ?
C59 C60 H60 120.5 . . ?
C62 C61 H61 119.8 . . ?
C62 C61 C66 120.4(4) . . ?
C66 C61 H61 119.8 . . ?
C61 C62 H62 119.7 . . ?
C61 C62 C63 120.6(4) . . ?
C63 C62 H62 119.7 . . ?
C62 C63 H63 120.2 . . ?
C64 C63 C62 119.7(4) . . ?
C64 C63 H63 120.2 . . ?
C63 C64 H64 120.1 . . ?
C63 C64 C65 119.8(4) . . ?
C65 C64 H64 120.1 . . ?
C64 C65 H65 119.4 . . ?
C64 C65 C66 121.2(4) . . ?
C66 C65 H65 119.4 . . ?
C61 C66 C15 121.1(3) . . ?
C65 C66 C15 120.7(3) . . ?
C65 C66 C61 118.1(4) . . ?
P5 Rh2 Rh2 91.87(3) . 2_676 ?
P5 Rh2 P6 101.31(3) . 2_676 ?
P5 Rh2 P6 80.28(3) . . ?
P5 Rh2 P7 80.59(3) . . ?
P5 Rh2 P8 157.42(4) . 2_676 ?
P6 Rh2 Rh2 58.19(2) . 2_676 ?
P6 Rh2 Rh2 53.83(2) 2_676 2_676 ?
P6 Rh2 P6 112.01(2) . 2_676 ?
P7 Rh2 Rh2 154.61(3) . 2_676 ?
P7 Rh2 P6 103.66(3) . 2_676 ?
P7 Rh2 P6 142.09(3) . . ?
P7 Rh2 P8 95.37(3) . 2_676 ?
P8 Rh2 Rh2 100.33(3) 2_676 2_676 ?
P8 Rh2 P6 90.05(3) 2_676 . ?
P8 Rh2 P6 101.23(3) 2_676 2_676 ?
O4 P5 Rh2 114.80(10) . . ?
O4 P5 O5 102.37(14) . . ?
O5 P5 Rh2 112.69(10) . . ?
O6 P5 Rh2 126.77(10) . . ?
O6 P5 O4 98.37(14) . . ?
O6 P5 O5 98.14(14) . . ?
Rh2 P6 Rh2 67.99(2) . 2_676 ?
C16 P6 Rh2 104.94(13) . . ?
C16 P6 Rh2 117.98(13) . 2_676 ?
C16 P6 C20 100.83(17) . . ?
C20 P6 Rh2 144.37(13) . . ?
C20 P6 Rh2 119.59(12) . 2_676 ?
C21 P7 Rh2 143.79(14) . . ?
C21 P7 C25 103.43(18) . . ?
C25 P7 Rh2 109.59(13) . . ?
C26 P8 Rh2 128.31(13) . 2_676 ?
C26 P8 C30 103.18(19) . . ?
C30 P8 Rh2 128.17(15) . 2_676 ?
C16 O4 P5 119.0(2) . . ?
C25 O5 P5 116.0(2) . . ?
C26 O6 P5 124.9(2) . . ?
O4 C16 P6 117.0(2) . . ?
C17 C16 P6 127.2(3) . . ?
C17 C16 O4 115.8(3) . . ?
C16 C17 H17 119.0 . . ?
C16 C17 C18 122.0(3) . . ?
C18 C17 H17 119.0 . . ?
C17 C18 C19 120.8(3) . . ?
C17 C18 C67 119.5(3) . . ?
C19 C18 C67 119.7(3) . . ?
C18 C19 H19 116.1 . . ?
C20 C19 C18 127.8(4) . . ?
C20 C19 H19 116.1 . . ?
C19 C20 P6 121.1(3) . . ?
C19 C20 C73 116.5(3) . . ?
C73 C20 P6 122.4(3) . . ?
C22 C21 P7 118.4(3) . . ?
C22 C21 C80 120.1(3) . . ?
C80 C21 P7 121.5(3) . . ?
C21 C22 H22 116.2 . . ?
C23 C22 C21 127.6(4) . . ?
C23 C22 H22 116.2 . . ?
C22 C23 C24 122.6(4) . . ?
C22 C23 C85 117.6(4) . . ?
C24 C23 C85 119.8(4) . . ?
C23 C24 H24 119.6 . . ?
C25 C24 C23 120.7(4) . . ?
C25 C24 H24 119.6 . . ?
O5 C25 P7 115.1(3) . . ?
C24 C25 P7 126.0(3) . . ?
C24 C25 O5 119.0(3) . . ?
O6 C26 P8 121.8(3) . . ?
C27 C26 P8 124.1(3) . . ?
C27 C26 O6 113.9(3) . . ?
C26 C27 H27 118.3 . . ?
C26 C27 C28 123.4(4) . . ?
C28 C27 H27 118.3 . . ?
C27 C28 C98 118.5(4) . . ?
C29 C28 C27 121.6(4) . . ?
C29 C28 C98 119.9(4) . . ?
C28 C29 H29 116.8 . . ?
C30 C29 C28 126.5(4) . . ?
C30 C29 H29 116.8 . . ?
C29 C30 P8 121.0(3) . . ?
C29 C30 C91 119.9(4) . . ?
C91 C30 P8 119.1(3) . . ?
C68 C67 C18 120.5(4) . . ?
C72 C67 C18 120.7(4) . . ?
C72 C67 C68 118.8(4) . . ?
C67 C68 H68 120.0 . . ?
C69 C68 C67 120.1(4) . . ?
C69 C68 H68 120.0 . . ?
C68 C69 H69 119.8 . . ?
C70 C69 C68 120.4(4) . . ?
C70 C69 H69 119.8 . . ?
C69 C70 H70 120.0 . . ?
C69 C70 C71 120.0(4) . . ?
C71 C70 H70 120.0 . . ?
C70 C71 H71 119.9 . . ?
C72 C71 C70 120.1(4) . . ?
C72 C71 H71 119.9 . . ?
C67 C72 H72 119.7 . . ?
C71 C72 C67 120.6(4) . . ?
C71 C72 H72 119.7 . . ?
C74 C73 C20 121.3(3) . . ?
C74 C73 C78 119.3(4) . . ?
C78 C73 C20 119.1(3) . . ?
C73 C74 H74 119.7 . . ?
C73 C74 C75 120.5(4) . . ?
C75 C74 H74 119.7 . . ?
C74 C75 H75 120.1 . . ?
C76 C75 C74 119.8(4) . . ?
C76 C75 H75 120.1 . . ?
C75 C76 H76 120.1 . . ?
C77 C76 C75 119.9(4) . . ?
C77 C76 H76 120.1 . . ?
C76 C77 H77 119.8 . . ?
C76 C77 C78 120.4(4) . . ?
C78 C77 H77 119.8 . . ?
C73 C78 H78 120.0 . . ?
C77 C78 C73 120.0(4) . . ?
C77 C78 H78 120.0 . . ?
C80 C79 H79 118.9 . . ?
C84 C79 H79 118.9 . . ?
C84 C79 C80 122.2(4) . . ?
C79 C80 C21 121.7(3) . . ?
C79 C80 C81 117.8(4) . . ?
C81 C80 C21 120.5(4) . . ?
C80 C81 H81 120.0 . . ?
C82 C81 C80 120.0(5) . . ?
C82 C81 H81 120.0 . . ?
C81 C82 H82 119.2 . . ?
C83 C82 C81 121.5(5) . . ?
C83 C82 H82 119.2 . . ?
C82 C83 H83 120.3 . . ?
C82 C83 C84 119.4(4) . . ?
C84 C83 H83 120.3 . . ?
C79 C84 C83 119.0(4) . . ?
C79 C84 H84 120.5 . . ?
C83 C84 H84 120.5 . . ?
C86 C85 C23 119.5(4) . . ?
C90 C85 C23 121.3(4) . . ?
C90 C85 C86 119.2(4) . . ?
C85 C86 H86 119.7 . . ?
C87 C86 C85 120.7(5) . . ?
C87 C86 H86 119.7 . . ?
C86 C87 H87 120.1 . . ?
C88 C87 C86 119.7(5) . . ?
C88 C87 H87 120.1 . . ?
C87 C88 H88 119.9 . . ?
C89 C88 C87 120.2(5) . . ?
C89 C88 H88 119.9 . . ?
C88 C89 H89 119.7 . . ?
C88 C89 C90 120.7(5) . . ?
C90 C89 H89 119.7 . . ?
C85 C90 H90 120.3 . . ?
C89 C90 C85 119.3(5) . . ?
C89 C90 H90 120.3 . . ?
C92 C91 C30 120.8(4) . . ?
C96 C91 C30 119.5(4) . . ?
C96 C91 C92 119.6(4) . . ?
C91 C92 H92 120.4 . . ?
C93 C92 C91 119.3(5) . . ?
C93 C92 H92 120.4 . . ?
C92 C93 H93 119.8 . . ?
C94 C93 C92 120.4(5) . . ?
C94 C93 H93 119.8 . . ?
C93 C94 H94 119.9 . . ?
C95 C94 C93 120.1(5) . . ?
C95 C94 H94 119.9 . . ?
C94 C95 H95 119.9 . . ?
C96 C95 C94 120.2(5) . . ?
C96 C95 H95 119.9 . . ?
C91 C96 H96 119.9 . . ?
C95 C96 C91 120.2(5) . . ?
C95 C96 H96 119.9 . . ?
C98 C97 H97 119.5 . . ?
C102 C97 H97 119.5 . . ?
C102 C97 C98 121.1(5) . . ?
C97 C98 C28 121.0(5) . . ?
C99 C98 C28 120.8(5) . . ?
C99 C98 C97 118.1(5) . . ?
C98 C99 H99 120.5 . . ?
C98 C99 C100 119.0(7) . . ?
C100 C99 H99 120.5 . . ?
C99 C100 H100 119.5 . . ?
C101 C100 C99 121.0(8) . . ?
C101 C100 H100 119.5 . . ?
C100 C101 H101 120.5 . . ?
C102 C101 C100 118.9(8) . . ?
C102 C101 H101 120.5 . . ?
C97 C102 H102 119.4 . . ?
C101 C102 C97 121.3(7) . . ?
C101 C102 H102 119.4 . . ?
Cl1 Ga1 Cl2 106.56(7) . . ?
Cl3 Ga1 Cl1 110.37(12) . . ?
Cl3 Ga1 Cl2 108.40(9) . . ?
Cl3 Ga1 Cl4 111.04(9) . . ?
Cl4 Ga1 Cl1 109.35(8) . . ?
Cl4 Ga1 Cl2 111.03(7) . . ?
Cl5 Ga2 Cl6 107.71(6) . . ?
Cl5 Ga2 Cl7 110.34(5) . . ?
Cl5 Ga2 Cl8 110.75(5) . . ?
Cl6 Ga2 Cl7 109.76(5) . . ?
Cl6 Ga2 Cl8 110.14(5) . . ?
Cl8 Ga2 Cl7 108.14(5) . . ?
Cl0A C2AA Cl2A 113.0(4) . . ?
Cl0A C2AA H2AA 109.0 . . ?
Cl0A C2AA H2AB 109.0 . . ?
Cl2A C2AA H2AA 109.0 . . ?
Cl2A C2AA H2AB 109.0 . . ?
H2AA C2AA H2AB 107.8 . . ?
Cl4A C1AA H1AA 106.3 . . ?
Cl4A C1AA H1AB 106.3 . . ?
Cl5A C1AA Cl4A 124.0(9) . . ?
Cl5A C1AA H1AA 106.3 . . ?
Cl5A C1AA H1AB 106.3 . . ?
H1AA C1AA H1AB 106.4 . . ?
Cl1A C0AA Cl3A 105.2(8) . . ?
Cl1A C0AA H0AA 110.7 . . ?
Cl1A C0AA H0AB 110.7 . . ?
Cl3A C0AA H0AA 110.7 . . ?
Cl3A C0AA H0AB 110.7 . . ?
H0AA C0AA H0AB 108.8 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 P1 O1 C1 74.9(3) . . . . ?
Rh1 P1 O2 C6 -5.6(3) . . . . ?
Rh1 P1 O3 C11 28.3(3) . . . . ?
Rh1 P2 C1 O1 13.8(4) 2_565 . . . ?
Rh1 P2 C1 C2 -170.3(3) 2_565 . . . ?
Rh1 P2 C5 C4 171.4(2) 2_565 . . . ?
Rh1 P2 C5 C37 -11.5(4) 2_565 . . . ?
Rh1 P3 C6 O2 -55.8(3) 2_565 . . . ?
Rh1 P3 C6 O2 17.4(3) . . . . ?
Rh1 P3 C6 C7 -163.5(3) . . . . ?
Rh1 P3 C6 C7 123.3(3) 2_565 . . . ?
Rh1 P3 C10 C9 143.3(3) . . . . ?
Rh1 P3 C10 C9 -122.9(3) 2_565 . . . ?
Rh1 P3 C10 C49 55.7(4) 2_565 . . . ?
Rh1 P3 C10 C49 -38.1(5) . . . . ?
Rh1 P4 C11 O3 5.7(3) . . . . ?
Rh1 P4 C11 C12 -176.6(3) . . . . ?
Rh1 P4 C15 C14 168.1(2) . . . . ?
Rh1 P4 C15 C66 -16.4(4) . . . . ?
P1 O1 C1 P2 -45.8(4) . . . . ?
P1 O1 C1 C2 137.8(3) . . . . ?
P1 O2 C6 P3 -8.5(4) . . . . ?
P1 O2 C6 C7 172.4(3) . . . . ?
P1 O3 C11 P4 -21.8(4) . . . . ?
P1 O3 C11 C12 160.4(3) . . . . ?
P2 C1 C2 C3 -4.3(6) . . . . ?
P2 C5 C37 C38 -49.5(5) . . . . ?
P2 C5 C37 C42 134.2(3) . . . . ?
P3 C6 C7 C8 7.0(6) . . . . ?
P3 C10 C49 C50 -99.4(4) . . . . ?
P3 C10 C49 C54 89.4(5) . . . . ?
P4 C11 C12 C13 4.6(6) . . . . ?
P4 C15 C66 C61 -141.0(3) . . . . ?
P4 C15 C66 C65 35.5(5) . . . . ?
O1 P1 O2 C6 131.2(3) . . . . ?
O1 P1 O3 C11 -107.0(3) . . . . ?
O1 C1 C2 C3 171.8(4) . . . . ?
O2 P1 O1 C1 -54.1(3) . . . . ?
O2 P1 O3 C11 152.0(3) . . . . ?
O2 C6 C7 C8 -174.0(3) . . . . ?
O3 P1 O1 C1 -158.9(3) . . . . ?
O3 P1 O2 C6 -128.4(3) . . . . ?
O3 C11 C12 C13 -177.8(4) . . . . ?
C1 P2 C5 C4 -7.6(4) . . . . ?
C1 P2 C5 C37 169.4(3) . . . . ?
C1 C2 C3 C4 -3.1(6) . . . . ?
C1 C2 C3 C31 -180.0(4) . . . . ?
C2 C3 C4 C5 4.1(6) . . . . ?
C2 C3 C31 C32 -146.9(4) . . . . ?
C2 C3 C31 C36 32.7(6) . . . . ?
C3 C4 C5 P2 2.4(6) . . . . ?
C3 C4 C5 C37 -174.7(4) . . . . ?
C3 C31 C32 C33 179.2(4) . . . . ?
C3 C31 C36 C35 -179.0(4) . . . . ?
C4 C3 C31 C32 36.2(6) . . . . ?
C4 C3 C31 C36 -144.2(4) . . . . ?
C4 C5 C37 C38 127.6(5) . . . . ?
C4 C5 C37 C42 -48.7(5) . . . . ?
C5 P2 C1 O1 -167.2(3) . . . . ?
C5 P2 C1 C2 8.8(4) . . . . ?
C5 C37 C38 C39 -175.6(5) . . . . ?
C5 C37 C42 C41 178.6(4) . . . . ?
C6 P3 C10 C9 7.1(4) . . . . ?
C6 P3 C10 C49 -174.3(4) . . . . ?
C6 C7 C8 C9 1.2(6) . . . . ?
C6 C7 C8 C43 -179.9(4) . . . . ?
C7 C8 C9 C10 -4.2(6) . . . . ?
C7 C8 C43 C44 38.5(6) . . . . ?
C7 C8 C43 C48 -143.0(4) . . . . ?
C8 C9 C10 P3 -1.3(6) . . . . ?
C8 C9 C10 C49 180.0(4) . . . . ?
C8 C43 C44 C45 177.5(4) . . . . ?
C8 C43 C48 C47 -178.2(5) . . . . ?
C9 C8 C43 C44 -142.7(4) . . . . ?
C9 C8 C43 C48 35.8(6) . . . . ?
C9 C10 C49 C50 79.3(5) . . . . ?
C9 C10 C49 C54 -91.9(5) . . . . ?
C10 P3 C6 O2 170.8(3) . . . . ?
C10 P3 C6 C7 -10.2(4) . . . . ?
C10 C49 C50 C51 -171.8(4) . . . . ?
C10 C49 C54 C53 172.2(5) . . . . ?
C11 P4 C15 C14 6.4(4) . . . . ?
C11 P4 C15 C66 -178.2(3) . . . . ?
C11 C12 C13 C14 1.4(6) . . . . ?
C11 C12 C13 C55 -177.7(4) . . . . ?
C12 C13 C14 C15 -2.5(7) . . . . ?
C12 C13 C55 C56 -36.7(6) . . . . ?
C12 C13 C55 C60 138.6(4) . . . . ?
C13 C14 C15 P4 -2.3(6) . . . . ?
C13 C14 C15 C66 -177.5(4) . . . . ?
C13 C55 C56 C57 173.7(5) . . . . ?
C13 C55 C60 C59 -174.2(5) . . . . ?
C14 C13 C55 C56 144.2(5) . . . . ?
C14 C13 C55 C60 -40.5(6) . . . . ?
C14 C15 C66 C61 34.3(6) . . . . ?
C14 C15 C66 C65 -149.2(4) . . . . ?
C15 P4 C11 O3 174.5(3) . . . . ?
C15 P4 C11 C12 -7.9(4) . . . . ?
C31 C3 C4 C5 -179.0(4) . . . . ?
C31 C32 C33 C34 0.0(7) . . . . ?
C32 C31 C36 C35 0.5(7) . . . . ?
C32 C33 C34 C35 0.2(7) . . . . ?
C33 C34 C35 C36 -0.1(7) . . . . ?
C34 C35 C36 C31 -0.3(7) . . . . ?
C36 C31 C32 C33 -0.4(6) . . . . ?
C37 C38 C39 C40 -1.6(10) . . . . ?
C38 C37 C42 C41 2.2(7) . . . . ?
C38 C39 C40 C41 -0.5(12) . . . . ?
C39 C40 C41 C42 3.5(11) . . . . ?
C40 C41 C42 C37 -4.3(8) . . . . ?
C42 C37 C38 C39 0.7(8) . . . . ?
C43 C8 C9 C10 177.0(4) . . . . ?
C43 C44 C45 C46 0.9(8) . . . . ?
C44 C43 C48 C47 0.3(8) . . . . ?
C44 C45 C46 C47 -0.1(9) . . . . ?
C45 C46 C47 C48 -0.5(10) . . . . ?
C46 C47 C48 C43 0.4(9) . . . . ?
C48 C43 C44 C45 -0.9(7) . . . . ?
C49 C50 C51 C52 -0.1(8) . . . . ?
C50 C49 C54 C53 1.1(7) . . . . ?
C50 C51 C52 C53 0.5(10) . . . . ?
C51 C52 C53 C54 -0.1(10) . . . . ?
C52 C53 C54 C49 -0.7(9) . . . . ?
C54 C49 C50 C51 -0.7(7) . . . . ?
C55 C13 C14 C15 176.5(4) . . . . ?
C55 C56 C57 C58 0.1(9) . . . . ?
C56 C55 C60 C59 1.2(8) . . . . ?
C56 C57 C58 C59 1.8(10) . . . . ?
C57 C58 C59 C60 -2.3(10) . . . . ?
C58 C59 C60 C55 0.8(9) . . . . ?
C60 C55 C56 C57 -1.6(8) . . . . ?
C61 C62 C63 C64 4.3(7) . . . . ?
C62 C61 C66 C15 173.0(4) . . . . ?
C62 C61 C66 C65 -3.6(6) . . . . ?
C62 C63 C64 C65 -3.2(7) . . . . ?
C63 C64 C65 C66 -1.4(7) . . . . ?
C64 C65 C66 C15 -171.9(4) . . . . ?
C64 C65 C66 C61 4.8(6) . . . . ?
C66 C61 C62 C63 -0.9(7) . . . . ?
Rh2 P5 O4 C16 2.3(3) . . . . ?
Rh2 P5 O5 C25 -28.7(3) . . . . ?
Rh2 P5 O6 C26 -70.6(3) . . . . ?
Rh2 P6 C16 O4 51.4(3) 2_676 . . . ?
Rh2 P6 C16 O4 -21.2(3) . . . . ?
Rh2 P6 C16 C17 -127.8(3) 2_676 . . . ?
Rh2 P6 C16 C17 159.5(3) . . . . ?
Rh2 P6 C20 C19 126.1(3) 2_676 . . . ?
Rh2 P6 C20 C19 -140.9(2) . . . . ?
Rh2 P6 C20 C73 39.9(4) . . . . ?
Rh2 P6 C20 C73 -53.1(3) 2_676 . . . ?
Rh2 P7 C21 C22 -166.0(2) . . . . ?
Rh2 P7 C21 C80 15.7(4) . . . . ?
Rh2 P7 C25 O5 -5.3(3) . . . . ?
Rh2 P7 C25 C24 176.4(3) . . . . ?
Rh2 P8 C26 O6 -3.7(4) 2_676 . . . ?
Rh2 P8 C26 C27 -178.7(3) 2_676 . . . ?
Rh2 P8 C30 C29 176.2(3) 2_676 . . . ?
Rh2 P8 C30 C91 -4.1(4) 2_676 . . . ?
P5 O4 C16 P6 13.7(4) . . . . ?
P5 O4 C16 C17 -166.9(3) . . . . ?
P5 O5 C25 P7 21.7(4) . . . . ?
P5 O5 C25 C24 -159.8(3) . . . . ?
P5 O6 C26 P8 33.4(4) . . . . ?
P5 O6 C26 C27 -151.1(3) . . . . ?
P6 C16 C17 C18 -1.5(6) . . . . ?
P6 C20 C73 C74 91.9(4) . . . . ?
P6 C20 C73 C78 -94.2(4) . . . . ?
P7 C21 C22 C23 4.5(6) . . . . ?
P7 C21 C80 C79 -23.6(5) . . . . ?
P7 C21 C80 C81 158.0(4) . . . . ?
P8 C26 C27 C28 4.6(6) . . . . ?
P8 C30 C91 C92 58.4(5) . . . . ?
P8 C30 C91 C96 -121.8(4) . . . . ?
O4 P5 O5 C25 -152.5(3) . . . . ?
O4 P5 O6 C26 59.2(3) . . . . ?
O4 C16 C17 C18 179.2(3) . . . . ?
O5 P5 O4 C16 124.8(3) . . . . ?
O5 P5 O6 C26 163.0(3) . . . . ?
O6 P5 O4 C16 -134.9(3) . . . . ?
O6 P5 O5 C25 107.0(3) . . . . ?
O6 C26 C27 C28 -170.7(3) . . . . ?
C16 P6 C20 C19 -5.1(3) . . . . ?
C16 P6 C20 C73 175.7(3) . . . . ?
C16 C17 C18 C19 -1.5(6) . . . . ?
C16 C17 C18 C67 179.5(3) . . . . ?
C17 C18 C19 C20 0.2(6) . . . . ?
C17 C18 C67 C68 -34.4(5) . . . . ?
C17 C18 C67 C72 146.1(4) . . . . ?
C18 C19 C20 P6 3.7(6) . . . . ?
C18 C19 C20 C73 -177.1(4) . . . . ?
C18 C67 C68 C69 -178.5(4) . . . . ?
C18 C67 C72 C71 178.7(4) . . . . ?
C19 C18 C67 C68 146.5(4) . . . . ?
C19 C18 C67 C72 -33.0(5) . . . . ?
C19 C20 C73 C74 -87.4(4) . . . . ?
C19 C20 C73 C78 86.5(4) . . . . ?
C20 P6 C16 O4 -176.4(3) . . . . ?
C20 P6 C16 C17 4.3(4) . . . . ?
C20 C73 C74 C75 176.1(4) . . . . ?
C20 C73 C78 C77 -174.4(4) . . . . ?
C21 P7 C25 O5 -170.2(3) . . . . ?
C21 P7 C25 C24 11.5(4) . . . . ?
C21 C22 C23 C24 4.6(7) . . . . ?
C21 C22 C23 C85 -176.4(4) . . . . ?
C21 C80 C81 C82 178.5(5) . . . . ?
C22 C21 C80 C79 158.1(4) . . . . ?
C22 C21 C80 C81 -20.2(6) . . . . ?
C22 C23 C24 C25 -4.5(6) . . . . ?
C22 C23 C85 C86 47.2(6) . . . . ?
C22 C23 C85 C90 -134.5(5) . . . . ?
C23 C24 C25 P7 -4.8(6) . . . . ?
C23 C24 C25 O5 176.9(3) . . . . ?
C23 C85 C86 C87 179.7(4) . . . . ?
C23 C85 C90 C89 177.6(5) . . . . ?
C24 C23 C85 C86 -133.7(4) . . . . ?
C24 C23 C85 C90 44.6(6) . . . . ?
C25 P7 C21 C22 -10.6(3) . . . . ?
C25 P7 C21 C80 171.2(3) . . . . ?
C26 P8 C30 C29 2.5(4) . . . . ?
C26 P8 C30 C91 -177.8(3) . . . . ?
C26 C27 C28 C29 -0.8(6) . . . . ?
C26 C27 C28 C98 177.0(4) . . . . ?
C27 C28 C29 C30 -1.9(7) . . . . ?
C27 C28 C98 C97 50.8(6) . . . . ?
C27 C28 C98 C99 -126.0(6) . . . . ?
C28 C29 C30 P8 0.5(6) . . . . ?
C28 C29 C30 C91 -179.2(4) . . . . ?
C28 C98 C99 C100 175.1(6) . . . . ?
C29 C28 C98 C97 -131.3(5) . . . . ?
C29 C28 C98 C99 51.8(7) . . . . ?
C29 C30 C91 C92 -121.8(4) . . . . ?
C29 C30 C91 C96 58.0(5) . . . . ?
C30 P8 C26 O6 169.9(3) . . . . ?
C30 P8 C26 C27 -5.0(4) . . . . ?
C30 C91 C92 C93 -179.3(4) . . . . ?
C30 C91 C96 C95 178.7(4) . . . . ?
C67 C18 C19 C20 179.3(4) . . . . ?
C67 C68 C69 C70 -0.1(7) . . . . ?
C68 C67 C72 C71 -0.8(6) . . . . ?
C68 C69 C70 C71 -1.0(7) . . . . ?
C69 C70 C71 C72 1.2(7) . . . . ?
C70 C71 C72 C67 -0.3(7) . . . . ?
C72 C67 C68 C69 1.0(6) . . . . ?
C73 C74 C75 C76 -2.2(6) . . . . ?
C74 C73 C78 C77 -0.4(6) . . . . ?
C74 C75 C76 C77 0.2(6) . . . . ?
C75 C76 C77 C78 1.6(6) . . . . ?
C76 C77 C78 C73 -1.6(6) . . . . ?
C78 C73 C74 C75 2.2(6) . . . . ?
C79 C80 C81 C82 0.1(7) . . . . ?
C80 C21 C22 C23 -177.2(4) . . . . ?
C80 C79 C84 C83 3.6(7) . . . . ?
C80 C81 C82 C83 2.4(9) . . . . ?
C81 C82 C83 C84 -1.9(9) . . . . ?
C82 C83 C84 C79 -1.1(8) . . . . ?
C84 C79 C80 C21 178.5(4) . . . . ?
C84 C79 C80 C81 -3.1(6) . . . . ?
C85 C23 C24 C25 176.5(4) . . . . ?
C85 C86 C87 C88 2.6(8) . . . . ?
C86 C85 C90 C89 -4.1(8) . . . . ?
C86 C87 C88 C89 -3.9(9) . . . . ?
C87 C88 C89 C90 1.2(11) . . . . ?
C88 C89 C90 C85 2.8(10) . . . . ?
C90 C85 C86 C87 1.4(7) . . . . ?
C91 C92 C93 C94 0.7(7) . . . . ?
C92 C91 C96 C95 -1.5(6) . . . . ?
C92 C93 C94 C95 -1.9(7) . . . . ?
C93 C94 C95 C96 1.4(7) . . . . ?
C94 C95 C96 C91 0.3(7) . . . . ?
C96 C91 C92 C93 1.0(6) . . . . ?
C97 C98 C99 C100 -1.8(9) . . . . ?
C98 C28 C29 C30 -179.7(4) . . . . ?
C98 C97 C102 C101 5.7(9) . . . . ?
C98 C99 C100 C101 7.9(11) . . . . ?
C99 C100 C101 C102 -7.1(12) . . . . ?
C100 C101 C102 C97 0.4(12) . . . . ?
C102 C97 C98 C28 178.4(5) . . . . ?
C102 C97 C98 C99 -4.7(8) . . . . ?


_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 1.315
_oxdiff_exptl_absorpt_empirical_full_min 0.835
####################################################################### 
# 
# 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_8
_database_code_depnum_ccdc_archive 'CCDC 2302405'
loop_
_audit_author_name
_audit_author_address
'Zhongshu Li'
;Lehn Institute of Functional Materials (LIFM), School of Chemistry, Sun Yat Sen University
China
;
_audit_update_record             
;
2023-10-20 deposited with the CCDC.	2024-02-21 downloaded from the CCDC.
;
_audit_creation_date             2023-09-16
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C102 H72 O6 P8 Rh2, 6(C4 H8 O)'
_chemical_formula_sum            'C126 H120 O12 P8 Rh2'
_chemical_formula_weight         2279.79
_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'
H H 0.0000 0.0000 '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'
P P 0.2955 0.4335 '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'

_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                   15.87110(10)
_cell_length_b                   33.0914(3)
_cell_length_c                   21.7367(2)
_cell_angle_alpha                90
_cell_angle_beta                 109.9920(10)
_cell_angle_gamma                90
_cell_volume                     10728.12(17)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    25199
_cell_measurement_temperature    149.99(10)
_cell_measurement_theta_max      73.8630
_cell_measurement_theta_min      2.9760
_shelx_estimated_absorpt_T_max   0.708
_shelx_estimated_absorpt_T_min   0.637
_exptl_absorpt_coefficient_mu    4.127
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.80890
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.28b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear reddish red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   reddish
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.412
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4728
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0425
_diffrn_reflns_av_unetI/netI     0.0440
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            66736
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.148
_diffrn_reflns_theta_min         2.542
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      149.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -86.00 -35.00   0.50    3.05    --    0.00 -77.00 -90.00  102
  2  ω    -18.00  53.00   0.50    3.05    --    0.00  57.00 120.00  142
  3  ω      7.00  84.00   0.50    3.05    --    0.00  38.00 -60.00  154
  4  ω     80.00 109.00   0.50   12.21    --   95.20 -45.00 -30.00   58
  5  ω      7.00  74.00   0.50   12.21    --   95.20 -77.00  60.00  134
  6  ω     80.00 107.00   0.50   12.21    --   95.20 -77.00  60.00   54
  7  ω      6.00 103.00   0.50   12.21    --   95.20 -61.00  90.00  194
  8  ω     65.00 107.00   0.50   12.21    --   95.20 -77.00 -90.00   84
  9  ω      6.00  55.00   0.50   12.21    --   95.20 -77.00 -90.00   98
 10  ω      6.00 109.00   0.50   12.21    --   95.20 -30.00 120.00  206
 11  ω     17.00 108.00   0.50   12.21    --   95.20 -30.00 -90.00  182
 12  ω      6.00  36.00   0.50   12.21    --   95.20 -45.00 -30.00   60
 13  ω     83.00 109.00   0.50   12.21    --   95.20  45.00-150.00   52
 14  ω     97.00 185.00   0.50   12.21    --   95.20  30.00-150.00  176
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa dual home/near'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0410263000
_diffrn_orient_matrix_UB_12      0.0307042000
_diffrn_orient_matrix_UB_13      0.0554577000
_diffrn_orient_matrix_UB_21      0.0918321000
_diffrn_orient_matrix_UB_22      -0.0048776000
_diffrn_orient_matrix_UB_23      -0.0086374000
_diffrn_orient_matrix_UB_31      -0.0233769000
_diffrn_orient_matrix_UB_32      0.0346786000
_diffrn_orient_matrix_UB_33      -0.0503470000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                17428
_reflns_number_total             21196
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.28b (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  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.246
_refine_diff_density_min         -1.616
_refine_diff_density_rms         0.103
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1360
_refine_ls_number_reflns         21196
_refine_ls_number_restraints     116
_refine_ls_R_factor_all          0.0743
_refine_ls_R_factor_gt           0.0632
_refine_ls_restrained_S_all      1.073
_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)+(0.0582P)²+52.4713P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1610
_refine_ls_wR_factor_ref         0.1674
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 C115-C116
 1.45 with sigma of 0.02
 C112-C111
 1.6 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C130) \\sim Ueq, Uanis(C128) \\sim Ueq, Uanis(C126) \\sim Ueq,
Uanis(C129) \\sim Ueq, Uanis(C125) \\sim Ueq, Uanis(C124) \\sim Ueq, Uanis(O12)
\\sim Ueq, Uanis(C127) \\sim Ueq, Uanis(O13) \\sim Ueq, Uanis(C123) \\sim Ueq:
with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C115) \\sim Ueq, Uanis(C116) \\sim Ueq, Uanis(C117) \\sim Ueq,
Uanis(C118) \\sim Ueq, Uanis(O10) \\sim Ueq, Uanis(O9) \\sim Ueq, Uanis(C114)
\\sim Ueq, Uanis(C113) \\sim Ueq, Uanis(C111) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
4. Others
 Fixed Sof: C125(0.5) H12G(0.5) H12H(0.5) C124(0.5) H12J(0.5) H12I(0.5)
 C130(0.5) H13A(0.5) H13B(0.5) O12(0.5) C127(0.5) H12K(0.5) H12L(0.5) C128(0.5)
 H12M(0.5) H12N(0.5) C126(0.5) H12O(0.5) H12P(0.5) O13(0.5) C123(0.5) H12Q(0.5)
 H12R(0.5) C129(0.5) H12T(0.5) H12S(0.5)
5.a Secondary CH2 refined with riding coordinates:
 C103(H10K,H10L), C104(H10J,H10I), C105(H10M,H10N), C106(H10G,H10H), C107(H10A,
 H10B), C108(H10C,H10D), C109(H10E,H10F), C110(H11A,H11B), C111(H11C,H11D),
 C112(H11E,H11F), C113(H11I,H11J), C114(H11G,H11H), C115(H11S,H11T), C116(H11M,
 H11N), C117(H11O,H11P), C118(H11Q,H11R), C119(H11K,H11L), C120(H12E,H12F),
 C121(H12A,H12B), C122(H12C,H12D), C125(H12G,H12H), C124(H12J,H12I), C130(H13A,
 H13B), C127(H12K,H12L), C128(H12M,H12N), C126(H12O,H12P), C123(H12Q,H12R),
 C129(H12T,H12S)
5.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C7(H7), C9(H9), C12(H12), C14(H14), C17(H17), C18(H18),
 C19(H19), C20(H20), C21(H21), C23(H23), C24(H24), C25(H25), C26(H26), C27(H27),
  C29(H29), C30(H30), C31(H31), C32(H32), C33(H33), C35(H35), C37(H37),
 C40(H40), C41(H41), C42(H42), C43(H43), C44(H44), C46(H46), C47(H47), C48(H48),
  C49(H49), C50(H50), C52(H52), C53(H53), C54(H54), C55(H55), C56(H56),
 C58(H58), C60(H60), C63(H63), C64(H64), C65(H65), C66(H66), C67(H67), C69(H69),
  C70(H70), C71(H71), C72(H72), C73(H73), C75(H75), C76(H76), C77(H77),
 C78(H78), C79(H79), C81(H81), C82(H82), C83(H83), C84(H84), C85(H85), C87(H87),
  C89(H89), C92(H92), C93(H93), C94(H94), C95(H95), C96(H96), C98(H98),
 C99(H99), C100(H100), C101(H101), C102(H102)
5.c Fitted pentagon refined as free rotating group:
 C125(C124,C130,O12,C127), C128(C126,O13,C123,C129)
;
_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 0.65168(2) 0.65759(2) 0.68554(2) 0.02187(9) Uani 1 1 d . . . . .
Rh2 Rh 0.82134(2) 0.65843(2) 0.78716(2) 0.02244(9) Uani 1 1 d . . . . .
P1 P 0.60233(7) 0.67250(3) 0.76521(6) 0.0229(2) Uani 1 1 d . . . . .
P2 P 0.76217(7) 0.60658(4) 0.82656(6) 0.0259(2) Uani 1 1 d . . . . .
P3 P 0.79295(8) 0.71952(4) 0.82757(6) 0.0257(2) Uani 1 1 d . . . . .
P4 P 0.50746(7) 0.64416(4) 0.63295(6) 0.0251(2) Uani 1 1 d . . . . .
P5 P 0.87048(7) 0.67603(3) 0.70852(6) 0.0226(2) Uani 1 1 d . . . . .
P6 P 0.71711(7) 0.60741(3) 0.64773(6) 0.0246(2) Uani 1 1 d . . . . .
P7 P 0.67718(7) 0.71929(3) 0.64567(6) 0.0242(2) Uani 1 1 d . . . . .
P8 P 0.96595(7) 0.64670(4) 0.83999(6) 0.0268(2) Uani 1 1 d . . . . .
O1 O 0.6172(2) 0.64588(10) 0.83159(16) 0.0293(7) Uani 1 1 d . . . . .
O2 O 0.6129(2) 0.71643(9) 0.79908(16) 0.0267(7) Uani 1 1 d . . . . .
O3 O 0.4922(2) 0.67334(10) 0.74232(16) 0.0272(7) Uani 1 1 d . . . . .
O4 O 0.8548(2) 0.65101(10) 0.64057(16) 0.0280(7) Uani 1 1 d . . . . .
O5 O 0.8587(2) 0.72057(9) 0.67702(16) 0.0263(7) Uani 1 1 d . . . . .
O6 O 0.98096(19) 0.67703(10) 0.73170(15) 0.0264(7) Uani 1 1 d . . . . .
C1 C 0.6635(3) 0.60936(14) 0.8440(2) 0.0275(10) Uani 1 1 d . . . . .
C2 C 0.6300(3) 0.57895(15) 0.8725(2) 0.0293(10) Uani 1 1 d . . . . .
H2 H 0.5748 0.5835 0.8793 0.035 Uiso 1 1 calc R U . . .
C3 C 0.6727(3) 0.54174(15) 0.8918(2) 0.0298(10) Uani 1 1 d . . . . .
C4 C 0.7528(3) 0.53279(15) 0.8819(2) 0.0307(10) Uani 1 1 d . . . . .
H4 H 0.7782 0.5069 0.8958 0.037 Uiso 1 1 calc R U . . .
C5 C 0.7994(3) 0.55824(14) 0.8536(2) 0.0279(10) Uani 1 1 d . . . . .
C6 C 0.6874(3) 0.74164(14) 0.8091(2) 0.0262(9) Uani 1 1 d . . . . .
C7 C 0.6684(3) 0.78232(14) 0.8055(2) 0.0311(10) Uani 1 1 d . . . . .
H7 H 0.6077 0.7905 0.7948 0.037 Uiso 1 1 calc R U . . .
C8 C 0.7344(4) 0.81232(15) 0.8168(3) 0.0354(11) Uani 1 1 d . . . . .
C9 C 0.8246(3) 0.80193(15) 0.8343(3) 0.0346(11) Uani 1 1 d . . . . .
H9 H 0.8665 0.8235 0.8425 0.042 Uiso 1 1 calc R U . . .
C10 C 0.8591(3) 0.76304(15) 0.8411(2) 0.0299(10) Uani 1 1 d . . . . .
C11 C 0.4269(3) 0.63050(14) 0.5595(2) 0.0291(10) Uani 1 1 d . . . . .
C12 C 0.3353(3) 0.63275(14) 0.5512(2) 0.0289(10) Uani 1 1 d . . . . .
H12 H 0.2944 0.6235 0.5106 0.035 Uiso 1 1 calc R U . . .
C13 C 0.2982(3) 0.64716(14) 0.5968(2) 0.0284(10) Uani 1 1 d . . . . .
C14 C 0.3519(3) 0.66013(14) 0.6597(2) 0.0274(10) Uani 1 1 d . . . . .
H14 H 0.3236 0.6696 0.6891 0.033 Uiso 1 1 calc R U . . .
C15 C 0.4440(3) 0.65952(14) 0.6798(2) 0.0260(9) Uani 1 1 d . . . . .
C16 C 0.9579(3) 0.75766(15) 0.8613(2) 0.0318(10) Uani 1 1 d . . . . .
C17 C 1.0039(3) 0.73599(16) 0.9175(3) 0.0373(12) Uani 1 1 d . . . . .
H17 H 0.9719 0.7234 0.9421 0.045 Uiso 1 1 calc R U . . .
C18 C 1.0971(4) 0.73263(18) 0.9380(3) 0.0449(13) Uani 1 1 d . . . . .
H18 H 1.1285 0.7180 0.9767 0.054 Uiso 1 1 calc R U . . .
C19 C 1.1435(4) 0.75061(19) 0.9019(3) 0.0470(14) Uani 1 1 d . . . . .
H19 H 1.2069 0.7481 0.9156 0.056 Uiso 1 1 calc R U . . .
C20 C 1.0983(4) 0.77210(19) 0.8461(3) 0.0456(14) Uani 1 1 d . . . . .
H20 H 1.1304 0.7845 0.8214 0.055 Uiso 1 1 calc R U . . .
C21 C 1.0059(3) 0.77560(18) 0.8260(3) 0.0396(12) Uani 1 1 d . . . . .
H21 H 0.9749 0.7905 0.7875 0.048 Uiso 1 1 calc R U . . .
C22 C 0.7070(4) 0.85575(17) 0.8089(3) 0.0459(14) Uani 1 1 d . . . . .
C23 C 0.7559(5) 0.8845(2) 0.8518(5) 0.069(2) Uani 1 1 d . . . . .
H23 H 0.8061 0.8767 0.8885 0.082 Uiso 1 1 calc R U . . .
C24 C 0.7318(6) 0.9257(2) 0.8414(6) 0.086(3) Uani 1 1 d . . . . .
H24 H 0.7632 0.9455 0.8725 0.104 Uiso 1 1 calc R U . . .
C25 C 0.6622(6) 0.9371(2) 0.7857(5) 0.081(3) Uani 1 1 d . . . . .
H25 H 0.6490 0.9650 0.7772 0.097 Uiso 1 1 calc R U . . .
C26 C 0.6121(6) 0.9087(2) 0.7426(4) 0.072(2) Uani 1 1 d . . . . .
H26 H 0.5632 0.9168 0.7052 0.086 Uiso 1 1 calc R U . . .
C27 C 0.6336(5) 0.86823(19) 0.7544(3) 0.0538(16) Uani 1 1 d . . . . .
H27 H 0.5982 0.8485 0.7252 0.065 Uiso 1 1 calc R U . . .
C28 C 0.5069(3) 0.75419(14) 0.6052(2) 0.0296(10) Uani 1 1 d . . . . .
C29 C 0.4616(3) 0.73317(16) 0.5484(3) 0.0357(11) Uani 1 1 d . . . . .
H29 H 0.4941 0.7212 0.5237 0.043 Uiso 1 1 calc R U . . .
C30 C 0.3688(3) 0.72958(17) 0.5274(3) 0.0415(13) Uani 1 1 d . . . . .
H30 H 0.3381 0.7153 0.4882 0.050 Uiso 1 1 calc R U . . .
C31 C 0.3215(3) 0.74646(17) 0.5630(3) 0.0429(13) Uani 1 1 d . . . . .
H31 H 0.2581 0.7438 0.5484 0.051 Uiso 1 1 calc R U . . .
C32 C 0.3651(4) 0.76726(18) 0.6197(3) 0.0450(14) Uani 1 1 d . . . . .
H32 H 0.3319 0.7790 0.6441 0.054 Uiso 1 1 calc R U . . .
C33 C 0.4583(3) 0.77120(17) 0.6413(3) 0.0392(12) Uani 1 1 d . . . . .
H33 H 0.4885 0.7854 0.6807 0.047 Uiso 1 1 calc R U . . .
C34 C 0.7802(3) 0.74381(14) 0.6620(2) 0.0241(9) Uani 1 1 d . . . . .
C35 C 0.7936(3) 0.78452(14) 0.6590(2) 0.0263(9) Uani 1 1 d . . . . .
H35 H 0.8533 0.7941 0.6698 0.032 Uiso 1 1 calc R U . . .
C36 C 0.7234(3) 0.81299(14) 0.6407(2) 0.0284(10) Uani 1 1 d . . . . .
C37 C 0.6345(3) 0.80041(14) 0.6253(2) 0.0295(10) Uani 1 1 d . . . . .
H37 H 0.5897 0.8208 0.6137 0.035 Uiso 1 1 calc R U . . .
C38 C 0.6057(3) 0.76094(14) 0.6255(2) 0.0264(9) Uani 1 1 d . . . . .
C39 C 0.7413(3) 0.85655(15) 0.6341(3) 0.0318(10) Uani 1 1 d . . . . .
C40 C 0.8095(4) 0.87681(16) 0.6820(3) 0.0385(12) Uani 1 1 d . . . . .
H40 H 0.8472 0.8628 0.7194 0.046 Uiso 1 1 calc R U . . .
C41 C 0.8218(4) 0.91796(18) 0.6742(3) 0.0490(15) Uani 1 1 d . . . . .
H41 H 0.8676 0.9320 0.7073 0.059 Uiso 1 1 calc R U . . .
C42 C 0.7692(4) 0.93868(17) 0.6198(3) 0.0466(14) Uani 1 1 d . . . . .
H42 H 0.7790 0.9667 0.6154 0.056 Uiso 1 1 calc R U . . .
C43 C 0.7018(4) 0.91861(17) 0.5716(3) 0.0425(13) Uani 1 1 d . . . . .
H43 H 0.6657 0.9326 0.5335 0.051 Uiso 1 1 calc R U . . .
C44 C 0.6877(3) 0.87789(16) 0.5794(3) 0.0353(11) Uani 1 1 d . . . . .
H44 H 0.6406 0.8642 0.5468 0.042 Uiso 1 1 calc R U . . .
C45 C 0.1990(3) 0.65068(15) 0.5778(3) 0.0319(11) Uani 1 1 d . . . . .
C46 C 0.1563(3) 0.64510(17) 0.6237(3) 0.0385(12) Uani 1 1 d . . . . .
H46 H 0.1910 0.6388 0.6678 0.046 Uiso 1 1 calc R U . . .
C47 C 0.0631(4) 0.64859(18) 0.6058(3) 0.0460(14) Uani 1 1 d . . . . .
H47 H 0.0352 0.6445 0.6376 0.055 Uiso 1 1 calc R U . . .
C48 C 0.0118(4) 0.65790(18) 0.5428(3) 0.0484(15) Uani 1 1 d . . . . .
H48 H -0.0515 0.6600 0.5306 0.058 Uiso 1 1 calc R U . . .
C49 C 0.0535(4) 0.66425(17) 0.4970(3) 0.0433(13) Uani 1 1 d . . . . .
H49 H 0.0183 0.6711 0.4534 0.052 Uiso 1 1 calc R U . . .
C50 C 0.1456(3) 0.66071(15) 0.5139(3) 0.0354(11) Uani 1 1 d . . . . .
H50 H 0.1727 0.6651 0.4818 0.042 Uiso 1 1 calc R U . . .
C51 C 0.4554(3) 0.61742(15) 0.5040(2) 0.0318(10) Uani 1 1 d . . . . .
C52 C 0.5349(3) 0.63210(17) 0.4981(2) 0.0357(11) Uani 1 1 d . . . . .
H52 H 0.5699 0.6512 0.5290 0.043 Uiso 1 1 calc R U . . .
C53 C 0.5633(4) 0.6190(2) 0.4474(3) 0.0471(14) Uani 1 1 d . . . . .
H53 H 0.6176 0.6291 0.4440 0.057 Uiso 1 1 calc R U . . .
C54 C 0.5131(4) 0.5915(2) 0.4025(3) 0.0510(16) Uani 1 1 d . . . . .
H54 H 0.5331 0.5821 0.3686 0.061 Uiso 1 1 calc R U . . .
C55 C 0.4335(4) 0.57759(19) 0.4068(3) 0.0467(14) Uani 1 1 d . . . . .
H55 H 0.3980 0.5592 0.3750 0.056 Uiso 1 1 calc R U . . .
C56 C 0.4046(4) 0.59007(17) 0.4568(3) 0.0386(12) Uani 1 1 d . . . . .
H56 H 0.3498 0.5800 0.4592 0.046 Uiso 1 1 calc R U . . .
C57 C 0.8157(3) 0.61259(14) 0.6308(2) 0.0267(9) Uani 1 1 d . . . . .
C58 C 0.8572(3) 0.58282(15) 0.6073(2) 0.0309(10) Uani 1 1 d . . . . .
H58 H 0.9118 0.5891 0.6007 0.037 Uiso 1 1 calc R U . . .
C59 C 0.8226(3) 0.54372(15) 0.5928(3) 0.0319(11) Uani 1 1 d . . . . .
C60 C 0.7423(3) 0.53275(15) 0.6023(2) 0.0313(10) Uani 1 1 d . . . . .
H60 H 0.7219 0.5058 0.5915 0.038 Uiso 1 1 calc R U . . .
C61 C 0.6906(3) 0.55751(14) 0.6258(2) 0.0274(10) Uani 1 1 d . . . . .
C62 C 0.6061(3) 0.54121(14) 0.6321(2) 0.0284(10) Uani 1 1 d . . . . .
C63 C 0.5955(4) 0.53651(18) 0.6924(3) 0.0425(13) Uani 1 1 d . . . . .
H63 H 0.6425 0.5442 0.7313 0.051 Uiso 1 1 calc R U . . .
C64 C 0.5164(4) 0.5206(2) 0.6962(3) 0.0555(17) Uani 1 1 d . . . . .
H64 H 0.5098 0.5168 0.7376 0.067 Uiso 1 1 calc R U . . .
C65 C 0.4473(4) 0.5104(2) 0.6396(4) 0.0535(16) Uani 1 1 d . . . . .
H65 H 0.3932 0.4996 0.6423 0.064 Uiso 1 1 calc R U . . .
C66 C 0.4562(4) 0.51564(19) 0.5799(3) 0.0467(14) Uani 1 1 d . . . . .
H66 H 0.4080 0.5091 0.5411 0.056 Uiso 1 1 calc R U . . .
C67 C 0.5357(3) 0.53058(16) 0.5759(3) 0.0370(11) Uani 1 1 d . . . . .
H67 H 0.5421 0.5336 0.5343 0.044 Uiso 1 1 calc R U . . .
C68 C 0.8726(4) 0.51225(17) 0.5698(3) 0.0406(13) Uani 1 1 d . . . . .
C69 C 0.9654(4) 0.5100(2) 0.5954(4) 0.0536(16) Uani 1 1 d . . . . .
H69 H 0.9978 0.5302 0.6253 0.064 Uiso 1 1 calc R U . . .
C70 C 1.0120(5) 0.4791(2) 0.5784(5) 0.075(2) Uani 1 1 d . . . . .
H70 H 1.0755 0.4779 0.5975 0.090 Uiso 1 1 calc R U . . .
C71 C 0.9669(6) 0.4505(2) 0.5341(5) 0.082(3) Uani 1 1 d . . . . .
H71 H 0.9989 0.4293 0.5224 0.098 Uiso 1 1 calc R U . . .
C72 C 0.8749(6) 0.4525(2) 0.5064(4) 0.069(2) Uani 1 1 d . . . . .
H72 H 0.8435 0.4327 0.4754 0.083 Uiso 1 1 calc R U . . .
C73 C 0.8278(5) 0.48340(19) 0.5237(3) 0.0515(16) Uani 1 1 d . . . . .
H73 H 0.7644 0.4848 0.5039 0.062 Uiso 1 1 calc R U . . .
C74 C 0.6315(4) 0.51050(15) 0.9222(3) 0.0349(11) Uani 1 1 d . . . . .
C75 C 0.6853(4) 0.48654(17) 0.9737(3) 0.0443(13) Uani 1 1 d . . . . .
H75 H 0.7483 0.4908 0.9903 0.053 Uiso 1 1 calc R U . . .
C76 C 0.6474(6) 0.45658(19) 1.0009(3) 0.0600(19) Uani 1 1 d . . . . .
H76 H 0.6845 0.4404 1.0357 0.072 Uiso 1 1 calc R U . . .
C77 C 0.5560(6) 0.4503(2) 0.9772(4) 0.064(2) Uani 1 1 d . . . . .
H77 H 0.5302 0.4298 0.9957 0.076 Uiso 1 1 calc R U . . .
C78 C 0.5022(5) 0.4739(2) 0.9268(4) 0.0584(18) Uani 1 1 d . . . . .
H78 H 0.4393 0.4695 0.9105 0.070 Uiso 1 1 calc R U . . .
C79 C 0.5395(4) 0.50393(18) 0.8999(3) 0.0433(13) Uani 1 1 d . . . . .
H79 H 0.5016 0.5203 0.8656 0.052 Uiso 1 1 calc R U . . .
C80 C 0.8852(3) 0.54413(15) 0.8467(3) 0.0314(10) Uani 1 1 d . . . . .
C81 C 0.9006(4) 0.54756(17) 0.7877(3) 0.0392(12) Uani 1 1 d . . . . .
H81 H 0.8547 0.5578 0.7503 0.047 Uiso 1 1 calc R U . . .
C82 C 0.9820(4) 0.5362(2) 0.7829(3) 0.0531(16) Uani 1 1 d . . . . .
H82 H 0.9924 0.5395 0.7426 0.064 Uiso 1 1 calc R U . . .
C83 C 1.0478(4) 0.5201(2) 0.8361(4) 0.0572(17) Uani 1 1 d . . . . .
H83 H 1.1034 0.5119 0.8326 0.069 Uiso 1 1 calc R U . . .
C84 C 1.0330(4) 0.5160(2) 0.8946(3) 0.0544(16) Uani 1 1 d . . . . .
H84 H 1.0786 0.5049 0.9314 0.065 Uiso 1 1 calc R U . . .
C85 C 0.9521(3) 0.52790(17) 0.9005(3) 0.0401(12) Uani 1 1 d . . . . .
H85 H 0.9425 0.5249 0.9410 0.048 Uiso 1 1 calc R U . . .
C86 C 1.0290(3) 0.66204(14) 0.7930(2) 0.0260(9) Uani 1 1 d . . . . .
C87 C 1.1208(3) 0.66087(14) 0.8120(2) 0.0259(9) Uani 1 1 d . . . . .
H87 H 1.1490 0.6695 0.7821 0.031 Uiso 1 1 calc R U . . .
C88 C 1.1746(3) 0.64721(14) 0.8746(2) 0.0280(10) Uani 1 1 d . . . . .
C89 C 1.1372(3) 0.63399(15) 0.9203(2) 0.0301(10) Uani 1 1 d . . . . .
H89 H 1.1782 0.6250 0.9611 0.036 Uiso 1 1 calc R U . . .
C90 C 1.0466(3) 0.63231(14) 0.9134(2) 0.0260(9) Uani 1 1 d . . . . .
C91 C 1.0180(3) 0.61824(16) 0.9680(2) 0.0326(11) Uani 1 1 d . . . . .
C92 C 0.9387(3) 0.63204(18) 0.9750(3) 0.0391(12) Uani 1 1 d . . . . .
H92 H 0.9022 0.6509 0.9445 0.047 Uiso 1 1 calc R U . . .
C93 C 0.9128(4) 0.6183(2) 1.0264(3) 0.0520(16) Uani 1 1 d . . . . .
H93 H 0.8584 0.6276 1.0304 0.062 Uiso 1 1 calc R U . . .
C94 C 0.9655(4) 0.5912(2) 1.0714(3) 0.0590(18) Uani 1 1 d . . . . .
H94 H 0.9470 0.5817 1.1061 0.071 Uiso 1 1 calc R U . . .
C95 C 1.0454(4) 0.5779(2) 1.0660(3) 0.0513(15) Uani 1 1 d . . . . .
H95 H 1.0827 0.5598 1.0976 0.062 Uiso 1 1 calc R U . . .
C96 C 1.0711(4) 0.59093(18) 1.0144(3) 0.0403(12) Uani 1 1 d . . . . .
H96 H 1.1254 0.5812 1.0104 0.048 Uiso 1 1 calc R U . . .
C97 C 1.2736(3) 0.64883(14) 0.8923(2) 0.0281(10) Uani 1 1 d . . . . .
C98 C 1.3138(3) 0.63878(17) 0.8465(3) 0.0368(12) Uani 1 1 d . . . . .
H98 H 1.2771 0.6303 0.8041 0.044 Uiso 1 1 calc R U . . .
C99 C 1.4056(3) 0.64080(19) 0.8611(3) 0.0433(13) Uani 1 1 d . . . . .
H99 H 1.4314 0.6334 0.8293 0.052 Uiso 1 1 calc R U . . .
C100 C 1.4592(3) 0.65371(18) 0.9222(3) 0.0446(14) Uani 1 1 d . . . . .
H100 H 1.5222 0.6557 0.9324 0.054 Uiso 1 1 calc R U . . .
C101 C 1.4211(4) 0.66385(17) 0.9692(3) 0.0436(13) Uani 1 1 d . . . . .
H101 H 1.4582 0.6723 1.0116 0.052 Uiso 1 1 calc R U . . .
C102 C 1.3286(3) 0.66157(16) 0.9539(3) 0.0358(11) Uani 1 1 d . . . . .
H102 H 1.3028 0.6688 0.9859 0.043 Uiso 1 1 calc R U . . .
O7 O 0.3010(6) 0.7888(3) 0.8434(6) 0.155(4) Uani 1 1 d . . . . .
C103 C 0.3369(9) 0.7522(3) 0.8337(9) 0.145(6) Uani 1 1 d . . . . .
H10K H 0.3557 0.7368 0.8752 0.174 Uiso 1 1 calc R U . . .
H10L H 0.2895 0.7364 0.8009 0.174 Uiso 1 1 calc R U . . .
C104 C 0.4089(7) 0.7558(3) 0.8128(7) 0.115(4) Uani 1 1 d . . . . .
H10J H 0.3922 0.7477 0.7663 0.138 Uiso 1 1 calc R U . . .
H10I H 0.4591 0.7385 0.8394 0.138 Uiso 1 1 calc R U . . .
C105 C 0.4344(7) 0.7987(4) 0.8211(9) 0.155(6) Uani 1 1 d . . . . .
H10M H 0.4324 0.8113 0.7792 0.186 Uiso 1 1 calc R U . . .
H10N H 0.4947 0.8026 0.8542 0.186 Uiso 1 1 calc R U . . .
C106 C 0.3600(7) 0.8153(3) 0.8449(7) 0.110(4) Uani 1 1 d . . . . .
H10G H 0.3876 0.8254 0.8903 0.132 Uiso 1 1 calc R U . . .
H10H H 0.3305 0.8385 0.8170 0.132 Uiso 1 1 calc R U . . .
O8 O 0.3574(4) 0.53916(16) 0.7678(3) 0.0708(14) Uani 1 1 d . . . . .
C107 C 0.3148(5) 0.5636(2) 0.7122(4) 0.0626(19) Uani 1 1 d . . . . .
H10A H 0.3495 0.5640 0.6820 0.075 Uiso 1 1 calc R U . . .
H10B H 0.3073 0.5917 0.7252 0.075 Uiso 1 1 calc R U . . .
C108 C 0.2260(6) 0.5436(2) 0.6812(5) 0.080(2) Uani 1 1 d . . . . .
H10C H 0.2313 0.5198 0.6550 0.096 Uiso 1 1 calc R U . . .
H10D H 0.1816 0.5626 0.6526 0.096 Uiso 1 1 calc R U . . .
C109 C 0.2000(6) 0.5310(4) 0.7385(5) 0.097(3) Uani 1 1 d . . . . .
H10E H 0.1681 0.5048 0.7302 0.116 Uiso 1 1 calc R U . . .
H10F H 0.1613 0.5516 0.7485 0.116 Uiso 1 1 calc R U . . .
C110 C 0.2909(6) 0.5276(3) 0.7943(5) 0.082(2) Uani 1 1 d . . . . .
H11A H 0.2924 0.5456 0.8310 0.099 Uiso 1 1 calc R U . . .
H11B H 0.3011 0.4994 0.8108 0.099 Uiso 1 1 calc R U . . .
O9 O 0.7390(5) 0.4246(3) 0.8613(4) 0.119(2) Uani 1 1 d . U . . .
C111 C 0.6773(9) 0.4381(4) 0.8026(6) 0.131(4) Uani 1 1 d D U . . .
H11C H 0.7092 0.4477 0.7734 0.157 Uiso 1 1 calc R U . . .
H11D H 0.6425 0.4609 0.8110 0.157 Uiso 1 1 calc R U . . .
C112 C 0.6197(12) 0.4065(5) 0.7727(7) 0.210(10) Uani 1 1 d D . . . .
H11E H 0.6403 0.3926 0.7401 0.252 Uiso 1 1 calc R U . . .
H11F H 0.5579 0.4165 0.7507 0.252 Uiso 1 1 calc R U . . .
C113 C 0.6243(12) 0.3784(6) 0.8297(9) 0.187(7) Uani 1 1 d . U . . .
H11I H 0.5704 0.3819 0.8423 0.225 Uiso 1 1 calc R U . . .
H11J H 0.6276 0.3499 0.8171 0.225 Uiso 1 1 calc R U . . .
C114 C 0.7010(7) 0.3890(3) 0.8813(5) 0.097(3) Uani 1 1 d . U . . .
H11G H 0.7447 0.3664 0.8915 0.117 Uiso 1 1 calc R U . . .
H11H H 0.6858 0.3950 0.9209 0.117 Uiso 1 1 calc R U . . .
O10 O 0.7936(8) 0.4245(4) 0.6641(6) 0.185(4) Uani 1 1 d . U . . .
C115 C 0.8485(12) 0.4454(6) 0.7144(10) 0.186(7) Uani 1 1 d D U . . .
H11S H 0.8185 0.4518 0.7464 0.224 Uiso 1 1 calc R U . . .
H11T H 0.8669 0.4709 0.6991 0.224 Uiso 1 1 calc R U . . .
C116 C 0.9232(12) 0.4204(6) 0.7432(9) 0.181(7) Uani 1 1 d D U . . .
H11M H 0.9146 0.4056 0.7801 0.217 Uiso 1 1 calc R U . . .
H11N H 0.9771 0.4377 0.7612 0.217 Uiso 1 1 calc R U . . .
C117 C 0.9395(11) 0.3909(5) 0.6976(9) 0.169(6) Uani 1 1 d . U . . .
H11O H 0.9579 0.3641 0.7180 0.203 Uiso 1 1 calc R U . . .
H11P H 0.9834 0.4007 0.6778 0.203 Uiso 1 1 calc R U . . .
C118 C 0.8421(9) 0.3911(4) 0.6485(7) 0.124(4) Uani 1 1 d . U . . .
H11Q H 0.8426 0.3941 0.6033 0.149 Uiso 1 1 calc R U . . .
H11R H 0.8123 0.3652 0.6513 0.149 Uiso 1 1 calc R U . . .
O11 O 1.1687(7) 0.7923(3) 0.6308(7) 0.191(6) Uani 1 1 d . . . . .
C119 C 1.1289(10) 0.7553(3) 0.6319(9) 0.154(6) Uani 1 1 d . . . . .
H11K H 1.1042 0.7447 0.5867 0.185 Uiso 1 1 calc R U . . .
H11L H 1.1750 0.7361 0.6581 0.185 Uiso 1 1 calc R U . . .
C120 C 1.0614(8) 0.7577(3) 0.6578(8) 0.128(5) Uani 1 1 d . . . . .
H12E H 1.0819 0.7473 0.7032 0.153 Uiso 1 1 calc R U . . .
H12F H 1.0086 0.7419 0.6312 0.153 Uiso 1 1 calc R U . . .
C121 C 1.0392(7) 0.8008(4) 0.6565(8) 0.143(6) Uani 1 1 d . . . . .
H12A H 1.0397 0.8105 0.6997 0.172 Uiso 1 1 calc R U . . .
H12B H 0.9802 0.8068 0.6229 0.172 Uiso 1 1 calc R U . . .
C122 C 1.1149(8) 0.8186(4) 0.6387(10) 0.167(8) Uani 1 1 d . . . . .
H12C H 1.0897 0.8344 0.5978 0.200 Uiso 1 1 calc R U . . .
H12D H 1.1489 0.8375 0.6737 0.200 Uiso 1 1 calc R U . . .
C125 C 0.6860(6) 0.7586(4) 0.4731(6) 0.076(5) Uani 0.5 1 d G U P A 1
H12G H 0.6412 0.7550 0.4288 0.092 Uiso 0.5 1 calc R U P A 1
H12H H 0.6538 0.7623 0.5045 0.092 Uiso 0.5 1 calc R U P A 1
C124 C 0.7429(9) 0.7243(3) 0.4907(8) 0.096(7) Uani 0.5 1 d G U P A 1
H12J H 0.7379 0.7115 0.5304 0.115 Uiso 0.5 1 calc R U P A 1
H12I H 0.7253 0.7042 0.4548 0.115 Uiso 0.5 1 calc R U P A 1
C130 C 0.8323(8) 0.7373(3) 0.5027(7) 0.079(5) Uani 0.5 1 d G U P A 1
H13A H 0.8576 0.7235 0.4725 0.094 Uiso 0.5 1 calc R U P A 1
H13B H 0.8702 0.7308 0.5482 0.094 Uiso 0.5 1 calc R U P A 1
O12 O 0.8307(7) 0.7798(3) 0.4926(6) 0.112(5) Uani 0.5 1 d G U P A 1
C127 C 0.7403(8) 0.7929(3) 0.4743(6) 0.070(5) Uani 0.5 1 d G U P A 1
H12K H 0.7215 0.8057 0.4305 0.085 Uiso 0.5 1 calc R U P A 1
H12L H 0.7341 0.8130 0.5062 0.085 Uiso 0.5 1 calc R U P A 1
C128 C 0.7316(8) 0.7747(3) 0.4809(7) 0.073(5) Uani 0.5 1 d G U P B 2
H12M H 0.7526 0.7943 0.5173 0.087 Uiso 0.5 1 calc R U P B 2
H12N H 0.7333 0.7879 0.4405 0.087 Uiso 0.5 1 calc R U P B 2
C126 C 0.6429(7) 0.7620(3) 0.4726(6) 0.081(5) Uani 0.5 1 d G U P B 2
H12O H 0.6021 0.7692 0.4281 0.098 Uiso 0.5 1 calc R U P B 2
H12P H 0.6213 0.7756 0.5050 0.098 Uiso 0.5 1 calc R U P B 2
O13 O 0.6440(6) 0.7195(3) 0.4816(5) 0.086(3) Uani 0.5 1 d G U P B 2
C123 C 0.7334(7) 0.7059(3) 0.4955(6) 0.065(4) Uani 0.5 1 d G U P B 2
H12Q H 0.7361 0.6861 0.4620 0.077 Uiso 0.5 1 calc R U P B 2
H12R H 0.7553 0.6926 0.5389 0.077 Uiso 0.5 1 calc R U P B 2
C129 C 0.7876(6) 0.7400(4) 0.4951(6) 0.072(5) Uani 0.5 1 d G U P B 2
H12T H 0.8161 0.7365 0.4615 0.087 Uiso 0.5 1 calc R U P B 2
H12S H 0.8354 0.7430 0.5383 0.087 Uiso 0.5 1 calc R U P B 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 Rh2 2.8396(4) . ?
Rh1 P1 2.1871(12) . ?
Rh1 P4 2.2259(11) . ?
Rh1 P6 2.2573(12) . ?
Rh1 P7 2.3072(12) . ?
Rh2 P2 2.2603(12) . ?
Rh2 P3 2.3092(12) . ?
Rh2 P5 2.1865(12) . ?
Rh2 P8 2.2214(12) . ?
P1 O1 1.637(3) . ?
P1 O2 1.612(3) . ?
P1 O3 1.645(3) . ?
P2 C1 1.735(5) . ?
P2 C5 1.737(5) . ?
P3 C6 1.745(5) . ?
P3 C10 1.747(5) . ?
P4 C11 1.730(5) . ?
P4 C15 1.736(5) . ?
P5 O4 1.636(3) . ?
P5 O5 1.609(3) . ?
P5 O6 1.651(3) . ?
P6 C57 1.734(5) . ?
P6 C61 1.730(5) . ?
P7 C34 1.750(5) . ?
P7 C38 1.743(5) . ?
P8 C86 1.732(5) . ?
P8 C90 1.736(4) . ?
O1 C1 1.392(5) . ?
O2 C6 1.401(5) . ?
O3 C15 1.389(6) . ?
O4 C57 1.399(5) . ?
O5 C34 1.404(5) . ?
O6 C86 1.381(5) . ?
C1 C2 1.381(7) . ?
C2 H2 0.9500 . ?
C2 C3 1.399(7) . ?
C3 C4 1.392(7) . ?
C3 C74 1.493(7) . ?
C4 H4 0.9500 . ?
C4 C5 1.395(7) . ?
C5 C80 1.495(7) . ?
C6 C7 1.376(7) . ?
C7 H7 0.9500 . ?
C7 C8 1.402(7) . ?
C8 C9 1.394(7) . ?
C8 C22 1.494(7) . ?
C9 H9 0.9500 . ?
C9 C10 1.386(7) . ?
C10 C16 1.488(7) . ?
C11 C12 1.405(6) . ?
C11 C51 1.491(7) . ?
C12 H12 0.9500 . ?
C12 C13 1.397(7) . ?
C13 C14 1.407(7) . ?
C13 C45 1.491(6) . ?
C14 H14 0.9500 . ?
C14 C15 1.375(6) . ?
C16 C17 1.390(7) . ?
C16 C21 1.386(7) . ?
C17 H17 0.9500 . ?
C17 C18 1.396(8) . ?
C18 H18 0.9500 . ?
C18 C19 1.381(9) . ?
C19 H19 0.9500 . ?
C19 C20 1.377(9) . ?
C20 H20 0.9500 . ?
C20 C21 1.385(7) . ?
C21 H21 0.9500 . ?
C22 C23 1.372(9) . ?
C22 C27 1.409(9) . ?
C23 H23 0.9500 . ?
C23 C24 1.413(10) . ?
C24 H24 0.9500 . ?
C24 C25 1.382(13) . ?
C25 H25 0.9500 . ?
C25 C26 1.373(12) . ?
C26 H26 0.9500 . ?
C26 C27 1.385(9) . ?
C27 H27 0.9500 . ?
C28 C29 1.385(7) . ?
C28 C33 1.394(7) . ?
C28 C38 1.493(6) . ?
C29 H29 0.9500 . ?
C29 C30 1.391(7) . ?
C30 H30 0.9500 . ?
C30 C31 1.368(8) . ?
C31 H31 0.9500 . ?
C31 C32 1.374(9) . ?
C32 H32 0.9500 . ?
C32 C33 1.396(7) . ?
C33 H33 0.9500 . ?
C34 C35 1.369(6) . ?
C35 H35 0.9500 . ?
C35 C36 1.408(6) . ?
C36 C37 1.399(6) . ?
C36 C39 1.485(7) . ?
C37 H37 0.9500 . ?
C37 C38 1.384(7) . ?
C39 C40 1.390(7) . ?
C39 C44 1.395(7) . ?
C40 H40 0.9500 . ?
C40 C41 1.394(8) . ?
C41 H41 0.9500 . ?
C41 C42 1.375(9) . ?
C42 H42 0.9500 . ?
C42 C43 1.385(9) . ?
C43 H43 0.9500 . ?
C43 C44 1.386(7) . ?
C44 H44 0.9500 . ?
C45 C46 1.397(7) . ?
C45 C50 1.397(7) . ?
C46 H46 0.9500 . ?
C46 C47 1.399(7) . ?
C47 H47 0.9500 . ?
C47 C48 1.367(9) . ?
C48 H48 0.9500 . ?
C48 C49 1.386(9) . ?
C49 H49 0.9500 . ?
C49 C50 1.385(7) . ?
C50 H50 0.9500 . ?
C51 C52 1.398(7) . ?
C51 C56 1.398(7) . ?
C52 H52 0.9500 . ?
C52 C53 1.395(7) . ?
C53 H53 0.9500 . ?
C53 C54 1.372(9) . ?
C54 H54 0.9500 . ?
C54 C55 1.378(9) . ?
C55 H55 0.9500 . ?
C55 C56 1.378(8) . ?
C56 H56 0.9500 . ?
C57 C58 1.376(7) . ?
C58 H58 0.9500 . ?
C58 C59 1.399(7) . ?
C59 C60 1.407(7) . ?
C59 C68 1.495(7) . ?
C60 H60 0.9500 . ?
C60 C61 1.375(7) . ?
C61 C62 1.496(6) . ?
C62 C63 1.386(7) . ?
C62 C67 1.390(7) . ?
C63 H63 0.9500 . ?
C63 C64 1.389(8) . ?
C64 H64 0.9500 . ?
C64 C65 1.381(9) . ?
C65 H65 0.9500 . ?
C65 C66 1.364(9) . ?
C66 H66 0.9500 . ?
C66 C67 1.385(7) . ?
C67 H67 0.9500 . ?
C68 C69 1.387(8) . ?
C68 C73 1.391(8) . ?
C69 H69 0.9500 . ?
C69 C70 1.384(8) . ?
C70 H70 0.9500 . ?
C70 C71 1.365(12) . ?
C71 H71 0.9500 . ?
C71 C72 1.378(12) . ?
C72 H72 0.9500 . ?
C72 C73 1.391(9) . ?
C73 H73 0.9500 . ?
C74 C75 1.399(8) . ?
C74 C79 1.389(8) . ?
C75 H75 0.9500 . ?
C75 C76 1.392(8) . ?
C76 H76 0.9500 . ?
C76 C77 1.378(11) . ?
C77 H77 0.9500 . ?
C77 C78 1.377(10) . ?
C78 H78 0.9500 . ?
C78 C79 1.386(8) . ?
C79 H79 0.9500 . ?
C80 C81 1.389(7) . ?
C80 C85 1.390(7) . ?
C81 H81 0.9500 . ?
C81 C82 1.385(7) . ?
C82 H82 0.9500 . ?
C82 C83 1.373(9) . ?
C83 H83 0.9500 . ?
C83 C84 1.377(9) . ?
C84 H84 0.9500 . ?
C84 C85 1.390(8) . ?
C85 H85 0.9500 . ?
C86 C87 1.373(6) . ?
C87 H87 0.9500 . ?
C87 C88 1.412(7) . ?
C88 C89 1.391(7) . ?
C88 C97 1.485(6) . ?
C89 H89 0.9500 . ?
C89 C90 1.395(6) . ?
C90 C91 1.484(7) . ?
C91 C92 1.395(7) . ?
C91 C96 1.400(7) . ?
C92 H92 0.9500 . ?
C92 C93 1.392(8) . ?
C93 H93 0.9500 . ?
C93 C94 1.379(9) . ?
C94 H94 0.9500 . ?
C94 C95 1.386(9) . ?
C95 H95 0.9500 . ?
C95 C96 1.388(8) . ?
C96 H96 0.9500 . ?
C97 C98 1.393(7) . ?
C97 C102 1.391(7) . ?
C98 H98 0.9500 . ?
C98 C99 1.382(7) . ?
C99 H99 0.9500 . ?
C99 C100 1.378(8) . ?
C100 H100 0.9500 . ?
C100 C101 1.394(9) . ?
C101 H101 0.9500 . ?
C101 C102 1.392(7) . ?
C102 H102 0.9500 . ?
O7 C103 1.385(12) . ?
O7 C106 1.277(11) . ?
C103 H10K 0.9900 . ?
C103 H10L 0.9900 . ?
C103 C104 1.372(13) . ?
C104 H10J 0.9900 . ?
C104 H10I 0.9900 . ?
C104 C105 1.473(15) . ?
C105 H10M 0.9900 . ?
C105 H10N 0.9900 . ?
C105 C106 1.542(15) . ?
C106 H10G 0.9900 . ?
C106 H10H 0.9900 . ?
O8 C107 1.420(8) . ?
O8 C110 1.417(9) . ?
C107 H10A 0.9900 . ?
C107 H10B 0.9900 . ?
C107 C108 1.494(11) . ?
C108 H10C 0.9900 . ?
C108 H10D 0.9900 . ?
C108 C109 1.497(12) . ?
C109 H10E 0.9900 . ?
C109 H10F 0.9900 . ?
C109 C110 1.540(13) . ?
C110 H11A 0.9900 . ?
C110 H11B 0.9900 . ?
O9 C111 1.388(13) . ?
O9 C114 1.457(12) . ?
C111 H11C 0.9900 . ?
C111 H11D 0.9900 . ?
C111 C112 1.393(13) . ?
C112 H11E 0.9900 . ?
C112 H11F 0.9900 . ?
C112 C113 1.531(19) . ?
C113 H11I 0.9900 . ?
C113 H11J 0.9900 . ?
C113 C114 1.389(17) . ?
C114 H11G 0.9900 . ?
C114 H11H 0.9900 . ?
O10 C115 1.334(18) . ?
O10 C118 1.453(15) . ?
C115 H11S 0.9900 . ?
C115 H11T 0.9900 . ?
C115 C116 1.404(15) . ?
C116 H11M 0.9900 . ?
C116 H11N 0.9900 . ?
C116 C117 1.48(2) . ?
C117 H11O 0.9900 . ?
C117 H11P 0.9900 . ?
C117 C118 1.549(18) . ?
C118 H11Q 0.9900 . ?
C118 H11R 0.9900 . ?
O11 C119 1.379(12) . ?
O11 C122 1.273(13) . ?
C119 H11K 0.9900 . ?
C119 H11L 0.9900 . ?
C119 C120 1.372(14) . ?
C120 H12E 0.9900 . ?
C120 H12F 0.9900 . ?
C120 C121 1.467(15) . ?
C121 H12A 0.9900 . ?
C121 H12B 0.9900 . ?
C121 C122 1.502(16) . ?
C122 H12C 0.9900 . ?
C122 H12D 0.9900 . ?
C125 H12G 0.9900 . ?
C125 H12H 0.9900 . ?
C125 C124 1.4200 . ?
C125 C127 1.4200 . ?
C124 H12J 0.9900 . ?
C124 H12I 0.9900 . ?
C124 C130 1.4200 . ?
C130 H13A 0.9900 . ?
C130 H13B 0.9900 . ?
C130 O12 1.4200 . ?
O12 C127 1.4200 . ?
C127 H12K 0.9900 . ?
C127 H12L 0.9900 . ?
C128 H12M 0.9900 . ?
C128 H12N 0.9900 . ?
C128 C126 1.4200 . ?
C128 C129 1.4200 . ?
C126 H12O 0.9900 . ?
C126 H12P 0.9900 . ?
C126 O13 1.4200 . ?
O13 C123 1.4200 . ?
C123 H12Q 0.9900 . ?
C123 H12R 0.9900 . ?
C123 C129 1.4200 . ?
C129 H12T 0.9900 . ?
C129 H12S 0.9900 . ?

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
P1 Rh1 Rh2 83.28(3) . . ?
P1 Rh1 P4 82.41(4) . . ?
P1 Rh1 P6 142.02(5) . . ?
P1 Rh1 P7 104.72(4) . . ?
P4 Rh1 Rh2 159.49(3) . . ?
P4 Rh1 P6 100.75(4) . . ?
P4 Rh1 P7 105.39(4) . . ?
P6 Rh1 Rh2 81.86(3) . . ?
P6 Rh1 P7 110.65(4) . . ?
P7 Rh1 Rh2 92.41(3) . . ?
P2 Rh2 Rh1 83.17(3) . . ?
P2 Rh2 P3 111.10(4) . . ?
P3 Rh2 Rh1 92.75(3) . . ?
P5 Rh2 Rh1 83.76(3) . . ?
P5 Rh2 P2 143.50(5) . . ?
P5 Rh2 P3 103.43(4) . . ?
P5 Rh2 P8 82.48(4) . . ?
P8 Rh2 Rh1 159.68(4) . . ?
P8 Rh2 P2 99.28(4) . . ?
P8 Rh2 P3 104.94(5) . . ?
O1 P1 Rh1 126.42(12) . . ?
O1 P1 O3 95.36(17) . . ?
O2 P1 Rh1 123.75(13) . . ?
O2 P1 O1 96.99(17) . . ?
O2 P1 O3 93.26(16) . . ?
O3 P1 Rh1 113.27(12) . . ?
C1 P2 Rh2 124.42(16) . . ?
C1 P2 C5 101.7(2) . . ?
C5 P2 Rh2 133.64(17) . . ?
C6 P3 Rh2 125.22(16) . . ?
C6 P3 C10 99.6(2) . . ?
C10 P3 Rh2 127.01(17) . . ?
C11 P4 Rh1 146.31(17) . . ?
C11 P4 C15 102.9(2) . . ?
C15 P4 Rh1 109.97(16) . . ?
O4 P5 Rh2 125.90(12) . . ?
O4 P5 O6 95.92(17) . . ?
O5 P5 Rh2 123.78(13) . . ?
O5 P5 O4 96.87(17) . . ?
O5 P5 O6 93.92(16) . . ?
O6 P5 Rh2 113.09(12) . . ?
C57 P6 Rh1 124.43(16) . . ?
C61 P6 Rh1 134.74(16) . . ?
C61 P6 C57 100.8(2) . . ?
C34 P7 Rh1 127.29(16) . . ?
C38 P7 Rh1 127.68(16) . . ?
C38 P7 C34 99.6(2) . . ?
C86 P8 Rh2 110.29(16) . . ?
C86 P8 C90 103.3(2) . . ?
C90 P8 Rh2 146.07(16) . . ?
C1 O1 P1 123.0(3) . . ?
C6 O2 P1 123.9(3) . . ?
C15 O3 P1 117.6(3) . . ?
C57 O4 P5 121.3(3) . . ?
C34 O5 P5 124.5(3) . . ?
C86 O6 P5 117.7(3) . . ?
O1 C1 P2 117.4(3) . . ?
C2 C1 P2 125.1(4) . . ?
C2 C1 O1 117.4(4) . . ?
C1 C2 H2 118.2 . . ?
C1 C2 C3 123.7(4) . . ?
C3 C2 H2 118.2 . . ?
C2 C3 C74 120.1(4) . . ?
C4 C3 C2 121.0(4) . . ?
C4 C3 C74 118.9(4) . . ?
C3 C4 H4 116.9 . . ?
C3 C4 C5 126.1(5) . . ?
C5 C4 H4 116.9 . . ?
C4 C5 P2 122.4(4) . . ?
C4 C5 C80 119.6(4) . . ?
C80 C5 P2 118.0(3) . . ?
O2 C6 P3 118.6(3) . . ?
C7 C6 P3 126.7(4) . . ?
C7 C6 O2 114.7(4) . . ?
C6 C7 H7 118.4 . . ?
C6 C7 C8 123.1(5) . . ?
C8 C7 H7 118.4 . . ?
C7 C8 C22 119.3(5) . . ?
C9 C8 C7 120.6(5) . . ?
C9 C8 C22 120.0(5) . . ?
C8 C9 H9 117.0 . . ?
C10 C9 C8 126.1(5) . . ?
C10 C9 H9 117.0 . . ?
C9 C10 P3 123.7(4) . . ?
C9 C10 C16 118.7(4) . . ?
C16 C10 P3 117.6(4) . . ?
C12 C11 P4 120.7(4) . . ?
C12 C11 C51 120.0(4) . . ?
C51 C11 P4 119.3(3) . . ?
C11 C12 H12 116.7 . . ?
C13 C12 C11 126.5(5) . . ?
C13 C12 H12 116.7 . . ?
C12 C13 C14 122.1(4) . . ?
C12 C13 C45 119.4(4) . . ?
C14 C13 C45 118.5(4) . . ?
C13 C14 H14 119.0 . . ?
C15 C14 C13 121.9(4) . . ?
C15 C14 H14 119.0 . . ?
O3 C15 P4 115.7(3) . . ?
C14 C15 P4 125.8(4) . . ?
C14 C15 O3 118.5(4) . . ?
C17 C16 C10 120.4(5) . . ?
C21 C16 C10 120.6(5) . . ?
C21 C16 C17 119.0(5) . . ?
C16 C17 H17 119.9 . . ?
C16 C17 C18 120.2(5) . . ?
C18 C17 H17 119.9 . . ?
C17 C18 H18 120.1 . . ?
C19 C18 C17 119.8(6) . . ?
C19 C18 H18 120.1 . . ?
C18 C19 H19 119.8 . . ?
C20 C19 C18 120.4(5) . . ?
C20 C19 H19 119.8 . . ?
C19 C20 H20 120.1 . . ?
C19 C20 C21 119.8(6) . . ?
C21 C20 H20 120.1 . . ?
C16 C21 H21 119.6 . . ?
C20 C21 C16 120.8(6) . . ?
C20 C21 H21 119.6 . . ?
C23 C22 C8 121.0(6) . . ?
C23 C22 C27 118.7(6) . . ?
C27 C22 C8 120.2(6) . . ?
C22 C23 H23 120.0 . . ?
C22 C23 C24 120.1(8) . . ?
C24 C23 H23 120.0 . . ?
C23 C24 H24 120.2 . . ?
C25 C24 C23 119.6(8) . . ?
C25 C24 H24 120.2 . . ?
C24 C25 H25 119.5 . . ?
C26 C25 C24 120.9(8) . . ?
C26 C25 H25 119.5 . . ?
C25 C26 H26 120.4 . . ?
C25 C26 C27 119.2(8) . . ?
C27 C26 H26 120.4 . . ?
C22 C27 H27 119.3 . . ?
C26 C27 C22 121.3(7) . . ?
C26 C27 H27 119.3 . . ?
C29 C28 C33 119.2(5) . . ?
C29 C28 C38 120.7(4) . . ?
C33 C28 C38 120.0(5) . . ?
C28 C29 H29 119.9 . . ?
C28 C29 C30 120.2(5) . . ?
C30 C29 H29 119.9 . . ?
C29 C30 H30 119.9 . . ?
C31 C30 C29 120.3(5) . . ?
C31 C30 H30 119.9 . . ?
C30 C31 H31 119.8 . . ?
C30 C31 C32 120.4(5) . . ?
C32 C31 H31 119.8 . . ?
C31 C32 H32 120.0 . . ?
C31 C32 C33 120.0(5) . . ?
C33 C32 H32 120.0 . . ?
C28 C33 C32 119.9(6) . . ?
C28 C33 H33 120.0 . . ?
C32 C33 H33 120.0 . . ?
O5 C34 P7 119.1(3) . . ?
C35 C34 P7 126.6(4) . . ?
C35 C34 O5 114.3(4) . . ?
C34 C35 H35 118.2 . . ?
C34 C35 C36 123.5(4) . . ?
C36 C35 H35 118.2 . . ?
C35 C36 C39 121.2(4) . . ?
C37 C36 C35 120.3(4) . . ?
C37 C36 C39 118.5(4) . . ?
C36 C37 H37 117.0 . . ?
C38 C37 C36 126.0(4) . . ?
C38 C37 H37 117.0 . . ?
C28 C38 P7 118.9(3) . . ?
C37 C38 P7 124.0(4) . . ?
C37 C38 C28 117.0(4) . . ?
C40 C39 C36 121.4(5) . . ?
C40 C39 C44 119.1(5) . . ?
C44 C39 C36 119.5(5) . . ?
C39 C40 H40 120.5 . . ?
C39 C40 C41 119.1(5) . . ?
C41 C40 H40 120.5 . . ?
C40 C41 H41 119.3 . . ?
C42 C41 C40 121.5(6) . . ?
C42 C41 H41 119.3 . . ?
C41 C42 H42 120.1 . . ?
C41 C42 C43 119.8(5) . . ?
C43 C42 H42 120.1 . . ?
C42 C43 H43 120.4 . . ?
C42 C43 C44 119.2(5) . . ?
C44 C43 H43 120.4 . . ?
C39 C44 H44 119.3 . . ?
C43 C44 C39 121.3(5) . . ?
C43 C44 H44 119.3 . . ?
C46 C45 C13 121.1(5) . . ?
C46 C45 C50 117.6(5) . . ?
C50 C45 C13 121.2(5) . . ?
C45 C46 H46 119.5 . . ?
C45 C46 C47 121.0(5) . . ?
C47 C46 H46 119.5 . . ?
C46 C47 H47 119.7 . . ?
C48 C47 C46 120.5(6) . . ?
C48 C47 H47 119.7 . . ?
C47 C48 H48 120.5 . . ?
C47 C48 C49 119.1(5) . . ?
C49 C48 H48 120.5 . . ?
C48 C49 H49 119.5 . . ?
C50 C49 C48 121.1(6) . . ?
C50 C49 H49 119.5 . . ?
C45 C50 H50 119.7 . . ?
C49 C50 C45 120.7(5) . . ?
C49 C50 H50 119.7 . . ?
C52 C51 C11 120.4(4) . . ?
C56 C51 C11 121.5(5) . . ?
C56 C51 C52 118.0(5) . . ?
C51 C52 H52 119.7 . . ?
C53 C52 C51 120.6(5) . . ?
C53 C52 H52 119.7 . . ?
C52 C53 H53 119.9 . . ?
C54 C53 C52 120.1(6) . . ?
C54 C53 H53 119.9 . . ?
C53 C54 H54 120.1 . . ?
C53 C54 C55 119.8(5) . . ?
C55 C54 H54 120.1 . . ?
C54 C55 H55 119.6 . . ?
C54 C55 C56 120.9(5) . . ?
C56 C55 H55 119.6 . . ?
C51 C56 H56 119.7 . . ?
C55 C56 C51 120.6(5) . . ?
C55 C56 H56 119.7 . . ?
O4 C57 P6 116.3(3) . . ?
C58 C57 P6 126.1(4) . . ?
C58 C57 O4 117.6(4) . . ?
C57 C58 H58 118.5 . . ?
C57 C58 C59 123.1(4) . . ?
C59 C58 H58 118.5 . . ?
C58 C59 C60 120.7(4) . . ?
C58 C59 C68 120.5(4) . . ?
C60 C59 C68 118.7(4) . . ?
C59 C60 H60 117.0 . . ?
C61 C60 C59 125.9(5) . . ?
C61 C60 H60 117.0 . . ?
C60 C61 P6 123.5(4) . . ?
C60 C61 C62 119.2(4) . . ?
C62 C61 P6 117.4(3) . . ?
C63 C62 C61 122.0(4) . . ?
C63 C62 C67 118.8(5) . . ?
C67 C62 C61 119.1(4) . . ?
C62 C63 H63 119.9 . . ?
C62 C63 C64 120.1(5) . . ?
C64 C63 H63 119.9 . . ?
C63 C64 H64 120.0 . . ?
C65 C64 C63 120.0(6) . . ?
C65 C64 H64 120.0 . . ?
C64 C65 H65 119.8 . . ?
C66 C65 C64 120.4(5) . . ?
C66 C65 H65 119.8 . . ?
C65 C66 H66 120.1 . . ?
C65 C66 C67 119.9(5) . . ?
C67 C66 H66 120.1 . . ?
C62 C67 H67 119.6 . . ?
C66 C67 C62 120.7(5) . . ?
C66 C67 H67 119.6 . . ?
C69 C68 C59 121.0(5) . . ?
C69 C68 C73 117.7(5) . . ?
C73 C68 C59 121.3(5) . . ?
C68 C69 H69 119.2 . . ?
C70 C69 C68 121.6(6) . . ?
C70 C69 H69 119.2 . . ?
C69 C70 H70 120.0 . . ?
C71 C70 C69 120.1(7) . . ?
C71 C70 H70 120.0 . . ?
C70 C71 H71 120.1 . . ?
C70 C71 C72 119.8(6) . . ?
C72 C71 H71 120.1 . . ?
C71 C72 H72 119.8 . . ?
C71 C72 C73 120.3(7) . . ?
C73 C72 H72 119.8 . . ?
C68 C73 C72 120.5(6) . . ?
C68 C73 H73 119.7 . . ?
C72 C73 H73 119.7 . . ?
C75 C74 C3 120.4(5) . . ?
C79 C74 C3 121.4(5) . . ?
C79 C74 C75 118.2(5) . . ?
C74 C75 H75 119.7 . . ?
C76 C75 C74 120.5(6) . . ?
C76 C75 H75 119.7 . . ?
C75 C76 H76 120.0 . . ?
C77 C76 C75 120.1(6) . . ?
C77 C76 H76 120.0 . . ?
C76 C77 H77 120.0 . . ?
C78 C77 C76 119.9(6) . . ?
C78 C77 H77 120.0 . . ?
C77 C78 H78 119.8 . . ?
C77 C78 C79 120.3(7) . . ?
C79 C78 H78 119.8 . . ?
C74 C79 H79 119.5 . . ?
C78 C79 C74 120.9(6) . . ?
C78 C79 H79 119.5 . . ?
C81 C80 C5 121.4(4) . . ?
C81 C80 C85 118.9(5) . . ?
C85 C80 C5 119.7(5) . . ?
C80 C81 H81 119.7 . . ?
C82 C81 C80 120.7(5) . . ?
C82 C81 H81 119.7 . . ?
C81 C82 H82 119.9 . . ?
C83 C82 C81 120.2(6) . . ?
C83 C82 H82 119.9 . . ?
C82 C83 H83 120.2 . . ?
C82 C83 C84 119.7(5) . . ?
C84 C83 H83 120.2 . . ?
C83 C84 H84 119.6 . . ?
C83 C84 C85 120.8(6) . . ?
C85 C84 H84 119.6 . . ?
C80 C85 C84 119.7(6) . . ?
C80 C85 H85 120.1 . . ?
C84 C85 H85 120.1 . . ?
O6 C86 P8 115.8(3) . . ?
C87 C86 P8 125.6(4) . . ?
C87 C86 O6 118.6(4) . . ?
C86 C87 H87 119.0 . . ?
C86 C87 C88 121.9(4) . . ?
C88 C87 H87 119.0 . . ?
C87 C88 C97 118.4(4) . . ?
C89 C88 C87 121.6(4) . . ?
C89 C88 C97 119.9(4) . . ?
C88 C89 H89 116.2 . . ?
C88 C89 C90 127.7(4) . . ?
C90 C89 H89 116.2 . . ?
C89 C90 P8 119.8(4) . . ?
C89 C90 C91 120.8(4) . . ?
C91 C90 P8 119.4(3) . . ?
C92 C91 C90 121.2(5) . . ?
C92 C91 C96 118.5(5) . . ?
C96 C91 C90 120.3(5) . . ?
C91 C92 H92 119.8 . . ?
C93 C92 C91 120.3(5) . . ?
C93 C92 H92 119.8 . . ?
C92 C93 H93 119.7 . . ?
C94 C93 C92 120.6(6) . . ?
C94 C93 H93 119.7 . . ?
C93 C94 H94 120.1 . . ?
C93 C94 C95 119.7(5) . . ?
C95 C94 H94 120.1 . . ?
C94 C95 H95 120.0 . . ?
C94 C95 C96 120.1(6) . . ?
C96 C95 H95 120.0 . . ?
C91 C96 H96 119.6 . . ?
C95 C96 C91 120.7(5) . . ?
C95 C96 H96 119.6 . . ?
C98 C97 C88 120.6(4) . . ?
C102 C97 C88 121.3(4) . . ?
C102 C97 C98 118.0(4) . . ?
C97 C98 H98 119.0 . . ?
C99 C98 C97 121.9(5) . . ?
C99 C98 H98 119.0 . . ?
C98 C99 H99 120.3 . . ?
C100 C99 C98 119.4(5) . . ?
C100 C99 H99 120.3 . . ?
C99 C100 H100 119.9 . . ?
C99 C100 C101 120.1(5) . . ?
C101 C100 H100 119.9 . . ?
C100 C101 H101 120.1 . . ?
C102 C101 C100 119.9(5) . . ?
C102 C101 H101 120.1 . . ?
C97 C102 C101 120.7(5) . . ?
C97 C102 H102 119.7 . . ?
C101 C102 H102 119.7 . . ?
C106 O7 C103 105.6(8) . . ?
O7 C103 H10K 108.7 . . ?
O7 C103 H10L 108.7 . . ?
H10K C103 H10L 107.6 . . ?
C104 C103 O7 114.1(10) . . ?
C104 C103 H10K 108.7 . . ?
C104 C103 H10L 108.7 . . ?
C103 C104 H10J 110.6 . . ?
C103 C104 H10I 110.6 . . ?
C103 C104 C105 105.5(10) . . ?
H10J C104 H10I 108.8 . . ?
C105 C104 H10J 110.6 . . ?
C105 C104 H10I 110.6 . . ?
C104 C105 H10M 111.8 . . ?
C104 C105 H10N 111.8 . . ?
C104 C105 C106 100.1(8) . . ?
H10M C105 H10N 109.5 . . ?
C106 C105 H10M 111.8 . . ?
C106 C105 H10N 111.8 . . ?
O7 C106 C105 112.7(9) . . ?
O7 C106 H10G 109.0 . . ?
O7 C106 H10H 109.0 . . ?
C105 C106 H10G 109.0 . . ?
C105 C106 H10H 109.0 . . ?
H10G C106 H10H 107.8 . . ?
C110 O8 C107 107.2(6) . . ?
O8 C107 H10A 111.1 . . ?
O8 C107 H10B 111.1 . . ?
O8 C107 C108 103.4(6) . . ?
H10A C107 H10B 109.0 . . ?
C108 C107 H10A 111.1 . . ?
C108 C107 H10B 111.1 . . ?
C107 C108 H10C 111.1 . . ?
C107 C108 H10D 111.1 . . ?
C107 C108 C109 103.5(7) . . ?
H10C C108 H10D 109.0 . . ?
C109 C108 H10C 111.1 . . ?
C109 C108 H10D 111.1 . . ?
C108 C109 H10E 111.2 . . ?
C108 C109 H10F 111.2 . . ?
C108 C109 C110 103.0(7) . . ?
H10E C109 H10F 109.1 . . ?
C110 C109 H10E 111.2 . . ?
C110 C109 H10F 111.2 . . ?
O8 C110 C109 106.7(7) . . ?
O8 C110 H11A 110.4 . . ?
O8 C110 H11B 110.4 . . ?
C109 C110 H11A 110.4 . . ?
C109 C110 H11B 110.4 . . ?
H11A C110 H11B 108.6 . . ?
C111 O9 C114 107.5(9) . . ?
O9 C111 H11C 109.8 . . ?
O9 C111 H11D 109.8 . . ?
O9 C111 C112 109.4(12) . . ?
H11C C111 H11D 108.2 . . ?
C112 C111 H11C 109.8 . . ?
C112 C111 H11D 109.8 . . ?
C111 C112 H11E 111.0 . . ?
C111 C112 H11F 111.0 . . ?
C111 C112 C113 103.6(13) . . ?
H11E C112 H11F 109.0 . . ?
C113 C112 H11E 111.0 . . ?
C113 C112 H11F 111.0 . . ?
C112 C113 H11I 110.4 . . ?
C112 C113 H11J 110.4 . . ?
H11I C113 H11J 108.6 . . ?
C114 C113 C112 106.7(13) . . ?
C114 C113 H11I 110.4 . . ?
C114 C113 H11J 110.4 . . ?
O9 C114 H11G 110.2 . . ?
O9 C114 H11H 110.2 . . ?
C113 C114 O9 107.4(10) . . ?
C113 C114 H11G 110.2 . . ?
C113 C114 H11H 110.2 . . ?
H11G C114 H11H 108.5 . . ?
C115 O10 C118 109.6(13) . . ?
O10 C115 H11S 110.5 . . ?
O10 C115 H11T 110.5 . . ?
O10 C115 C116 106.0(16) . . ?
H11S C115 H11T 108.7 . . ?
C116 C115 H11S 110.5 . . ?
C116 C115 H11T 110.5 . . ?
C115 C116 H11M 108.8 . . ?
C115 C116 H11N 108.8 . . ?
C115 C116 C117 113.9(16) . . ?
H11M C116 H11N 107.7 . . ?
C117 C116 H11M 108.8 . . ?
C117 C116 H11N 108.8 . . ?
C116 C117 H11O 112.6 . . ?
C116 C117 H11P 112.6 . . ?
C116 C117 C118 95.6(13) . . ?
H11O C117 H11P 110.1 . . ?
C118 C117 H11O 112.6 . . ?
C118 C117 H11P 112.6 . . ?
O10 C118 C117 109.0(11) . . ?
O10 C118 H11Q 109.9 . . ?
O10 C118 H11R 109.9 . . ?
C117 C118 H11Q 109.9 . . ?
C117 C118 H11R 109.9 . . ?
H11Q C118 H11R 108.3 . . ?
C122 O11 C119 105.8(9) . . ?
O11 C119 H11K 109.1 . . ?
O11 C119 H11L 109.1 . . ?
H11K C119 H11L 107.8 . . ?
C120 C119 O11 112.5(10) . . ?
C120 C119 H11K 109.1 . . ?
C120 C119 H11L 109.1 . . ?
C119 C120 H12E 110.7 . . ?
C119 C120 H12F 110.7 . . ?
C119 C120 C121 105.3(10) . . ?
H12E C120 H12F 108.8 . . ?
C121 C120 H12E 110.7 . . ?
C121 C120 H12F 110.7 . . ?
C120 C121 H12A 111.7 . . ?
C120 C121 H12B 111.7 . . ?
C120 C121 C122 100.2(9) . . ?
H12A C121 H12B 109.5 . . ?
C122 C121 H12A 111.7 . . ?
C122 C121 H12B 111.7 . . ?
O11 C122 C121 113.5(10) . . ?
O11 C122 H12C 108.9 . . ?
O11 C122 H12D 108.9 . . ?
C121 C122 H12C 108.9 . . ?
C121 C122 H12D 108.9 . . ?
H12C C122 H12D 107.7 . . ?
H12G C125 H12H 108.4 . . ?
C124 C125 H12G 110.1 . . ?
C124 C125 H12H 110.1 . . ?
C127 C125 H12G 110.1 . . ?
C127 C125 H12H 110.1 . . ?
C127 C125 C124 108.0 . . ?
C125 C124 H12J 110.1 . . ?
C125 C124 H12I 110.1 . . ?
H12J C124 H12I 108.4 . . ?
C130 C124 C125 108.0 . . ?
C130 C124 H12J 110.1 . . ?
C130 C124 H12I 110.1 . . ?
C124 C130 H13A 110.1 . . ?
C124 C130 H13B 110.1 . . ?
C124 C130 O12 108.0 . . ?
H13A C130 H13B 108.4 . . ?
O12 C130 H13A 110.1 . . ?
O12 C130 H13B 110.1 . . ?
C127 O12 C130 108.0 . . ?
C125 C127 H12K 110.1 . . ?
C125 C127 H12L 110.1 . . ?
O12 C127 C125 108.0 . . ?
O12 C127 H12K 110.1 . . ?
O12 C127 H12L 110.1 . . ?
H12K C127 H12L 108.4 . . ?
H12M C128 H12N 108.4 . . ?
C126 C128 H12M 110.1 . . ?
C126 C128 H12N 110.1 . . ?
C126 C128 C129 108.0 . . ?
C129 C128 H12M 110.1 . . ?
C129 C128 H12N 110.1 . . ?
C128 C126 H12O 110.1 . . ?
C128 C126 H12P 110.1 . . ?
C128 C126 O13 108.0 . . ?
H12O C126 H12P 108.4 . . ?
O13 C126 H12O 110.1 . . ?
O13 C126 H12P 110.1 . . ?
C123 O13 C126 108.0 . . ?
O13 C123 H12Q 110.1 . . ?
O13 C123 H12R 110.1 . . ?
O13 C123 C129 108.0 . . ?
H12Q C123 H12R 108.4 . . ?
C129 C123 H12Q 110.1 . . ?
C129 C123 H12R 110.1 . . ?
C128 C129 H12T 110.1 . . ?
C128 C129 H12S 110.1 . . ?
C123 C129 C128 108.0 . . ?
C123 C129 H12T 110.1 . . ?
C123 C129 H12S 110.1 . . ?
H12T C129 H12S 108.4 . . ?

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 P1 O1 C1 -0.9(4) . . . . ?
Rh1 P1 O2 C6 -35.1(4) . . . . ?
Rh1 P1 O3 C15 8.6(3) . . . . ?
Rh1 P4 C11 C12 -168.9(3) . . . . ?
Rh1 P4 C11 C51 9.2(6) . . . . ?
Rh1 P4 C15 O3 -5.9(4) . . . . ?
Rh1 P4 C15 C14 172.1(4) . . . . ?
Rh1 P6 C57 O4 -1.2(4) . . . . ?
Rh1 P6 C57 C58 -179.5(4) . . . . ?
Rh1 P6 C61 C60 178.6(3) . . . . ?
Rh1 P6 C61 C62 -0.4(5) . . . . ?
Rh1 P7 C34 O5 28.4(4) . . . . ?
Rh1 P7 C34 C35 -154.8(3) . . . . ?
Rh1 P7 C38 C28 -26.9(5) . . . . ?
Rh1 P7 C38 C37 155.0(3) . . . . ?
Rh2 P2 C1 O1 1.2(4) . . . . ?
Rh2 P2 C1 C2 -175.0(4) . . . . ?
Rh2 P2 C5 C4 173.7(3) . . . . ?
Rh2 P2 C5 C80 -5.5(5) . . . . ?
Rh2 P3 C6 O2 34.3(4) . . . . ?
Rh2 P3 C6 C7 -148.3(4) . . . . ?
Rh2 P3 C10 C9 147.4(4) . . . . ?
Rh2 P3 C10 C16 -32.9(5) . . . . ?
Rh2 P5 O4 C57 -7.5(4) . . . . ?
Rh2 P5 O5 C34 -41.7(4) . . . . ?
Rh2 P5 O6 C86 8.3(3) . . . . ?
Rh2 P8 C86 O6 -2.3(4) . . . . ?
Rh2 P8 C86 C87 176.9(4) . . . . ?
Rh2 P8 C90 C89 -173.5(3) . . . . ?
Rh2 P8 C90 C91 6.7(6) . . . . ?
P1 O1 C1 P2 42.8(5) . . . . ?
P1 O1 C1 C2 -140.7(4) . . . . ?
P1 O2 C6 P3 -34.8(5) . . . . ?
P1 O2 C6 C7 147.6(4) . . . . ?
P1 O3 C15 P4 -1.5(4) . . . . ?
P1 O3 C15 C14 -179.7(3) . . . . ?
P2 C1 C2 C3 0.8(7) . . . . ?
P2 C5 C80 C81 -49.9(6) . . . . ?
P2 C5 C80 C85 128.9(5) . . . . ?
P3 C6 C7 C8 -0.1(8) . . . . ?
P3 C10 C16 C17 -57.9(6) . . . . ?
P3 C10 C16 C21 124.9(5) . . . . ?
P4 C11 C12 C13 3.1(7) . . . . ?
P4 C11 C51 C52 -28.6(6) . . . . ?
P4 C11 C51 C56 150.8(4) . . . . ?
P5 O4 C57 P6 49.0(4) . . . . ?
P5 O4 C57 C58 -132.5(4) . . . . ?
P5 O5 C34 P7 -25.8(5) . . . . ?
P5 O5 C34 C35 157.1(3) . . . . ?
P5 O6 C86 P8 -3.7(5) . . . . ?
P5 O6 C86 C87 177.0(3) . . . . ?
P6 C57 C58 C59 1.2(8) . . . . ?
P6 C61 C62 C63 -66.4(6) . . . . ?
P6 C61 C62 C67 113.3(5) . . . . ?
P7 C34 C35 C36 -1.0(7) . . . . ?
P8 C86 C87 C88 -1.3(7) . . . . ?
P8 C90 C91 C92 -28.8(7) . . . . ?
P8 C90 C91 C96 151.9(4) . . . . ?
O1 P1 O2 C6 108.1(3) . . . . ?
O1 P1 O3 C15 -125.0(3) . . . . ?
O1 C1 C2 C3 -175.4(4) . . . . ?
O2 P1 O1 C1 -142.7(3) . . . . ?
O2 P1 O3 C15 137.6(3) . . . . ?
O2 C6 C7 C8 177.3(4) . . . . ?
O3 P1 O1 C1 123.3(4) . . . . ?
O3 P1 O2 C6 -156.1(3) . . . . ?
O4 P5 O5 C34 100.6(3) . . . . ?
O4 P5 O6 C86 -125.0(3) . . . . ?
O4 C57 C58 C59 -177.1(4) . . . . ?
O5 P5 O4 C57 -148.7(3) . . . . ?
O5 P5 O6 C86 137.7(3) . . . . ?
O5 C34 C35 C36 175.9(4) . . . . ?
O6 P5 O4 C57 116.6(3) . . . . ?
O6 P5 O5 C34 -162.9(3) . . . . ?
O6 C86 C87 C88 177.9(4) . . . . ?
C1 P2 C5 C4 -0.8(5) . . . . ?
C1 P2 C5 C80 179.9(4) . . . . ?
C1 C2 C3 C4 -1.3(8) . . . . ?
C1 C2 C3 C74 -179.9(5) . . . . ?
C2 C3 C4 C5 0.6(8) . . . . ?
C2 C3 C74 C75 -141.8(5) . . . . ?
C2 C3 C74 C79 39.2(7) . . . . ?
C3 C4 C5 P2 0.5(7) . . . . ?
C3 C4 C5 C80 179.8(5) . . . . ?
C3 C74 C75 C76 -178.1(5) . . . . ?
C3 C74 C79 C78 177.7(6) . . . . ?
C4 C3 C74 C75 39.6(7) . . . . ?
C4 C3 C74 C79 -139.3(5) . . . . ?
C4 C5 C80 C81 130.9(5) . . . . ?
C4 C5 C80 C85 -50.4(7) . . . . ?
C5 P2 C1 O1 176.5(3) . . . . ?
C5 P2 C1 C2 0.2(5) . . . . ?
C5 C80 C81 C82 176.8(5) . . . . ?
C5 C80 C85 C84 -177.9(5) . . . . ?
C6 P3 C10 C9 -2.0(5) . . . . ?
C6 P3 C10 C16 177.8(4) . . . . ?
C6 C7 C8 C9 -1.8(8) . . . . ?
C6 C7 C8 C22 177.4(5) . . . . ?
C7 C8 C9 C10 1.6(9) . . . . ?
C7 C8 C22 C23 140.1(6) . . . . ?
C7 C8 C22 C27 -44.3(8) . . . . ?
C8 C9 C10 P3 0.6(8) . . . . ?
C8 C9 C10 C16 -179.1(5) . . . . ?
C8 C22 C23 C24 176.5(7) . . . . ?
C8 C22 C27 C26 -173.8(6) . . . . ?
C9 C8 C22 C23 -40.7(8) . . . . ?
C9 C8 C22 C27 134.9(6) . . . . ?
C9 C10 C16 C17 121.9(5) . . . . ?
C9 C10 C16 C21 -55.4(7) . . . . ?
C10 P3 C6 O2 -175.6(3) . . . . ?
C10 P3 C6 C7 1.8(5) . . . . ?
C10 C16 C17 C18 -176.9(5) . . . . ?
C10 C16 C21 C20 177.3(5) . . . . ?
C11 P4 C15 O3 -178.5(3) . . . . ?
C11 P4 C15 C14 -0.5(5) . . . . ?
C11 C12 C13 C14 -2.5(8) . . . . ?
C11 C12 C13 C45 174.8(5) . . . . ?
C11 C51 C52 C53 178.0(5) . . . . ?
C11 C51 C56 C55 -178.3(5) . . . . ?
C12 C11 C51 C52 149.6(5) . . . . ?
C12 C11 C51 C56 -31.0(7) . . . . ?
C12 C13 C14 C15 0.2(7) . . . . ?
C12 C13 C45 C46 147.9(5) . . . . ?
C12 C13 C45 C50 -33.8(7) . . . . ?
C13 C14 C15 P4 1.1(7) . . . . ?
C13 C14 C15 O3 179.1(4) . . . . ?
C13 C45 C46 C47 179.7(5) . . . . ?
C13 C45 C50 C49 -179.4(5) . . . . ?
C14 C13 C45 C46 -34.6(7) . . . . ?
C14 C13 C45 C50 143.6(5) . . . . ?
C15 P4 C11 C12 -1.5(5) . . . . ?
C15 P4 C11 C51 176.7(4) . . . . ?
C16 C17 C18 C19 -0.6(8) . . . . ?
C17 C16 C21 C20 0.0(8) . . . . ?
C17 C18 C19 C20 0.5(9) . . . . ?
C18 C19 C20 C21 -0.2(9) . . . . ?
C19 C20 C21 C16 -0.1(9) . . . . ?
C21 C16 C17 C18 0.3(8) . . . . ?
C22 C8 C9 C10 -177.6(5) . . . . ?
C22 C23 C24 C25 -4.0(13) . . . . ?
C23 C22 C27 C26 1.9(10) . . . . ?
C23 C24 C25 C26 4.7(14) . . . . ?
C24 C25 C26 C27 -2.0(13) . . . . ?
C25 C26 C27 C22 -1.4(11) . . . . ?
C27 C22 C23 C24 0.8(11) . . . . ?
C28 C29 C30 C31 -0.6(8) . . . . ?
C29 C28 C33 C32 -0.7(8) . . . . ?
C29 C28 C38 P7 -64.3(6) . . . . ?
C29 C28 C38 C37 113.9(5) . . . . ?
C29 C30 C31 C32 0.3(9) . . . . ?
C30 C31 C32 C33 -0.1(9) . . . . ?
C31 C32 C33 C28 0.4(9) . . . . ?
C33 C28 C29 C30 0.8(8) . . . . ?
C33 C28 C38 P7 119.6(5) . . . . ?
C33 C28 C38 C37 -62.2(6) . . . . ?
C34 P7 C38 C28 178.0(4) . . . . ?
C34 P7 C38 C37 -0.1(5) . . . . ?
C34 C35 C36 C37 1.0(7) . . . . ?
C34 C35 C36 C39 -176.1(5) . . . . ?
C35 C36 C37 C38 -0.6(8) . . . . ?
C35 C36 C39 C40 -47.1(7) . . . . ?
C35 C36 C39 C44 134.0(5) . . . . ?
C36 C37 C38 P7 0.2(7) . . . . ?
C36 C37 C38 C28 -177.9(5) . . . . ?
C36 C39 C40 C41 -178.2(5) . . . . ?
C36 C39 C44 C43 179.7(5) . . . . ?
C37 C36 C39 C40 135.8(5) . . . . ?
C37 C36 C39 C44 -43.1(7) . . . . ?
C38 P7 C34 O5 -176.3(3) . . . . ?
C38 P7 C34 C35 0.5(5) . . . . ?
C38 C28 C29 C30 -175.3(5) . . . . ?
C38 C28 C33 C32 175.5(5) . . . . ?
C39 C36 C37 C38 176.6(5) . . . . ?
C39 C40 C41 C42 -1.3(9) . . . . ?
C40 C39 C44 C43 0.7(8) . . . . ?
C40 C41 C42 C43 0.5(9) . . . . ?
C41 C42 C43 C44 1.0(9) . . . . ?
C42 C43 C44 C39 -1.6(8) . . . . ?
C44 C39 C40 C41 0.7(8) . . . . ?
C45 C13 C14 C15 -177.1(4) . . . . ?
C45 C46 C47 C48 -0.5(9) . . . . ?
C46 C45 C50 C49 -1.0(8) . . . . ?
C46 C47 C48 C49 -0.7(9) . . . . ?
C47 C48 C49 C50 1.0(9) . . . . ?
C48 C49 C50 C45 -0.1(8) . . . . ?
C50 C45 C46 C47 1.4(8) . . . . ?
C51 C11 C12 C13 -175.1(5) . . . . ?
C51 C52 C53 C54 0.2(9) . . . . ?
C52 C51 C56 C55 1.1(8) . . . . ?
C52 C53 C54 C55 1.4(10) . . . . ?
C53 C54 C55 C56 -1.8(10) . . . . ?
C54 C55 C56 C51 0.5(9) . . . . ?
C56 C51 C52 C53 -1.4(8) . . . . ?
C57 P6 C61 C60 0.4(5) . . . . ?
C57 P6 C61 C62 -178.7(4) . . . . ?
C57 C58 C59 C60 -0.6(8) . . . . ?
C57 C58 C59 C68 -177.7(5) . . . . ?
C58 C59 C60 C61 -0.1(8) . . . . ?
C58 C59 C68 C69 37.7(8) . . . . ?
C58 C59 C68 C73 -144.4(6) . . . . ?
C59 C60 C61 P6 0.1(8) . . . . ?
C59 C60 C61 C62 179.2(5) . . . . ?
C59 C68 C69 C70 174.8(7) . . . . ?
C59 C68 C73 C72 -175.3(6) . . . . ?
C60 C59 C68 C69 -139.4(6) . . . . ?
C60 C59 C68 C73 38.5(8) . . . . ?
C60 C61 C62 C63 114.5(6) . . . . ?
C60 C61 C62 C67 -65.8(6) . . . . ?
C61 P6 C57 O4 177.3(3) . . . . ?
C61 P6 C57 C58 -1.0(5) . . . . ?
C61 C62 C63 C64 -179.0(5) . . . . ?
C61 C62 C67 C66 -179.6(5) . . . . ?
C62 C63 C64 C65 -1.5(10) . . . . ?
C63 C62 C67 C66 0.1(8) . . . . ?
C63 C64 C65 C66 0.2(11) . . . . ?
C64 C65 C66 C67 1.3(10) . . . . ?
C65 C66 C67 C62 -1.5(9) . . . . ?
C67 C62 C63 C64 1.3(9) . . . . ?
C68 C59 C60 C61 177.0(5) . . . . ?
C68 C69 C70 C71 1.8(13) . . . . ?
C69 C68 C73 C72 2.7(10) . . . . ?
C69 C70 C71 C72 0.0(14) . . . . ?
C70 C71 C72 C73 -0.4(13) . . . . ?
C71 C72 C73 C68 -1.0(12) . . . . ?
C73 C68 C69 C70 -3.1(11) . . . . ?
C74 C3 C4 C5 179.2(5) . . . . ?
C74 C75 C76 C77 -0.1(10) . . . . ?
C75 C74 C79 C78 -1.3(9) . . . . ?
C75 C76 C77 C78 -0.3(11) . . . . ?
C76 C77 C78 C79 -0.1(11) . . . . ?
C77 C78 C79 C74 1.0(10) . . . . ?
C79 C74 C75 C76 0.9(8) . . . . ?
C80 C81 C82 C83 2.0(10) . . . . ?
C81 C80 C85 C84 0.9(8) . . . . ?
C81 C82 C83 C84 -1.0(11) . . . . ?
C82 C83 C84 C85 0.0(11) . . . . ?
C83 C84 C85 C80 0.0(10) . . . . ?
C85 C80 C81 C82 -2.0(9) . . . . ?
C86 P8 C90 C89 -2.0(5) . . . . ?
C86 P8 C90 C91 178.1(4) . . . . ?
C86 C87 C88 C89 0.4(7) . . . . ?
C86 C87 C88 C97 -177.1(4) . . . . ?
C87 C88 C89 C90 -0.7(8) . . . . ?
C87 C88 C97 C98 -39.9(7) . . . . ?
C87 C88 C97 C102 138.0(5) . . . . ?
C88 C89 C90 P8 1.7(7) . . . . ?
C88 C89 C90 C91 -178.5(5) . . . . ?
C88 C97 C98 C99 178.6(5) . . . . ?
C88 C97 C102 C101 -178.4(5) . . . . ?
C89 C88 C97 C98 142.6(5) . . . . ?
C89 C88 C97 C102 -39.5(7) . . . . ?
C89 C90 C91 C92 151.4(5) . . . . ?
C89 C90 C91 C96 -27.9(7) . . . . ?
C90 P8 C86 O6 -177.2(3) . . . . ?
C90 P8 C86 C87 2.0(5) . . . . ?
C90 C91 C92 C93 179.6(5) . . . . ?
C90 C91 C96 C95 179.4(5) . . . . ?
C91 C92 C93 C94 0.7(10) . . . . ?
C92 C91 C96 C95 0.0(8) . . . . ?
C92 C93 C94 C95 0.7(11) . . . . ?
C93 C94 C95 C96 -1.8(11) . . . . ?
C94 C95 C96 C91 1.4(10) . . . . ?
C96 C91 C92 C93 -1.1(8) . . . . ?
C97 C88 C89 C90 176.7(5) . . . . ?
C97 C98 C99 C100 -1.0(9) . . . . ?
C98 C97 C102 C101 -0.5(8) . . . . ?
C98 C99 C100 C101 1.2(9) . . . . ?
C99 C100 C101 C102 -1.1(9) . . . . ?
C100 C101 C102 C97 0.7(8) . . . . ?
C102 C97 C98 C99 0.7(8) . . . . ?
O7 C103 C104 C105 11(2) . . . . ?
C103 O7 C106 C105 12.4(17) . . . . ?
C103 C104 C105 C106 -3.4(16) . . . . ?
C104 C105 C106 O7 -5.9(17) . . . . ?
C106 O7 C103 C104 -15.3(19) . . . . ?
O8 C107 C108 C109 39.1(8) . . . . ?
C107 O8 C110 C109 22.7(9) . . . . ?
C107 C108 C109 C110 -24.7(9) . . . . ?
C108 C109 C110 O8 2.3(10) . . . . ?
C110 O8 C107 C108 -38.7(8) . . . . ?
O9 C111 C112 C113 24(2) . . . . ?
C111 O9 C114 C113 8.8(15) . . . . ?
C111 C112 C113 C114 -18(2) . . . . ?
C112 C113 C114 O9 5.5(19) . . . . ?
C114 O9 C111 C112 -21.2(18) . . . . ?
O10 C115 C116 C117 26(3) . . . . ?
C115 O10 C118 C117 2(2) . . . . ?
C115 C116 C117 C118 -22(2) . . . . ?
C116 C117 C118 O10 11.7(17) . . . . ?
C118 O10 C115 C116 -16(2) . . . . ?
O11 C119 C120 C121 17(2) . . . . ?
C119 O11 C122 C121 9(2) . . . . ?
C119 C120 C121 C122 -9.9(18) . . . . ?
C120 C121 C122 O11 1(2) . . . . ?
C122 O11 C119 C120 -16(2) . . . . ?
C125 C124 C130 O12 0.0 . . . . ?
C124 C125 C127 O12 0.0 . . . . ?
C124 C130 O12 C127 0.0 . . . . ?
C130 O12 C127 C125 0.0 . . . . ?
C127 C125 C124 C130 0.0 . . . . ?
C128 C126 O13 C123 0.0 . . . . ?
C126 C128 C129 C123 0.0 . . . . ?
C126 O13 C123 C129 0.0 . . . . ?
O13 C123 C129 C128 0.0 . . . . ?
C129 C128 C126 O13 0.0 . . . . ?


_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 1.255
_oxdiff_exptl_absorpt_empirical_full_min 0.787
