#------------------------------------------------------------------------------
#$Date: 2019-11-23 14:46:40 +0200 (Sat, 23 Nov 2019) $
#$Revision: 233685 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/91/4349191.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4349191
loop_
_publ_author_name
'Furukawa, Shuhei'
'Horike, Nao'
'Kondo, Mio'
'Hijikata, Yuh'
'Carné-Sánchez, Arnau'
'Larpent, Patrick'
'Louvain, Nicolas'
'Diring, Stéphane'
'Sato, Hiroshi'
'Matsuda, Ryotaro'
'Kawano, Ryuji'
'Kitagawa, Susumu'
_publ_section_title
;
 Rhodium-Organic Cuboctahedra as Porous Solids with Strong Binding Sites.
;
_journal_issue                   21
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10843
_journal_page_last               10846
_journal_paper_doi               10.1021/acs.inorgchem.6b02091
_journal_volume                  55
_journal_year                    2016
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C96 H48 O60 Rh12'
_chemical_formula_sum            'C192 H96 O120 Rh24'
_chemical_formula_weight         6792.52
_chemical_name_systematic
;
RhMOP_H_DMPU_153K
;
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2016-10-05T16:29:12-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                97.049(2)
_cell_angle_beta                 114.1070(10)
_cell_angle_gamma                111.849(2)
_cell_formula_units_Z            1
_cell_length_a                   22.543(5)
_cell_length_b                   24.369(5)
_cell_length_c                   24.845(5)
_cell_measurement_reflns_used    17743
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      31.12
_cell_measurement_theta_min      1.5469
_cell_measurement_wavelength     0.71073
_cell_volume                     10939(4)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SIR97 (Giacovazzo et al, 1997)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  confical
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0744
_diffrn_reflns_av_unetI/netI     0.1548
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            75518
_diffrn_reflns_point_group_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         25
_diffrn_reflns_theta_min         3.004
_exptl_absorpt_coefficient_mu    0.932
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.8178
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            Plate
_exptl_crystal_density_diffrn    1.031
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Blue
_exptl_crystal_F_000             3288
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.01
_refine_diff_density_max         2.761
_refine_diff_density_min         -0.926
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.866
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1513
_refine_ls_number_reflns         37892
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      0.868
_refine_ls_R_factor_all          0.1138
_refine_ls_R_factor_gt           0.0698
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0792P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1654
_refine_ls_wR_factor_ref         0.1934
_reflns_Friedel_coverage         0
_reflns_number_gt                17613
_reflns_number_total             37892
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic6b02091_si_002.cif
_cod_data_source_block           RhMOP_H_DMPU_153K
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_database_code               4349191
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
C1 C 0.6303(5) 0.0807(4) 0.9238(4) 0.054(3) Uani 1 1 d . .
C2 C 0.6740(4) 0.0501(4) 0.9597(4) 0.050(2) Uani 1 1 d . .
C3 C 0.6427(6) -0.0127(4) 0.9498(5) 0.071(3) Uani 1 1 d . .
H3 H 0.5924 -0.0385 0.9195 0.085 Uiso 1 1 calc R U
C4 C 0.6849(6) -0.0392(5) 0.9844(6) 0.101(5) Uani 1 1 d . .
H4 H 0.6636 -0.0829 0.9779 0.121 Uiso 1 1 calc R U
C5 C 0.7578(5) -0.0003(4) 1.0280(5) 0.069(3) Uani 1 1 d . .
H5 H 0.7868 -0.0173 1.0524 0.083 Uiso 1 1 calc R U
C6 C 0.7888(5) 0.0626(4) 1.0365(5) 0.057(3) Uani 1 1 d D .
C7 C 0.7470(5) 0.0884(5) 1.0001(4) 0.054(3) Uani 1 1 d . .
H7 H 0.7690 0.1312 1.0035 0.065 Uiso 1 1 calc R U
C8 C 0.8716(5) 0.1033(4) 1.0866(4) 0.046(2) Uani 1 1 d D .
C9 C 0.5484(5) 0.1710(4) 0.9601(4) 0.050(3) Uani 1 1 d . .
C10 C 0.5458(5) 0.1944(4) 1.0195(4) 0.051(2) Uani 1 1 d . .
C11 C 0.4868(5) 0.1623(4) 1.0272(4) 0.058(3) Uani 1 1 d . .
H11 H 0.4454 0.1253 0.9954 0.070 Uiso 1 1 calc R U
C12 C 0.4888(6) 0.1841(5) 1.0807(5) 0.073(3) Uani 1 1 d . .
H12 H 0.4472 0.1632 1.0854 0.088 Uiso 1 1 calc R U
C13 C 0.5494(5) 0.2361(4) 1.1289(5) 0.055(3) Uani 1 1 d . .
H13 H 0.5502 0.2491 1.1670 0.066 Uiso 1 1 calc R U
C14 C 0.6092(5) 0.2693(4) 1.1218(4) 0.043(2) Uani 1 1 d . .
C15 C 0.6082(5) 0.2481(4) 1.0674(4) 0.043(2) Uani 1 1 d . .
H15 H 0.6492 0.2696 1.0621 0.052 Uiso 1 1 calc R U
C16 C 0.6781(5) 0.3256(4) 1.1752(4) 0.045(2) Uani 1 1 d . .
C17 C 0.4776(5) 0.1811(5) 0.7997(4) 0.053(3) Uani 1 1 d . .
C18 C 0.4361(5) 0.2122(4) 0.7597(5) 0.051(2) Uani 1 1 d . .
C19 C 0.3582(6) 0.1773(5) 0.7242(5) 0.061(3) Uani 1 1 d . .
H19 H 0.3335 0.1375 0.7270 0.073 Uiso 1 1 calc R U
C20 C 0.3180(6) 0.2023(5) 0.6847(6) 0.089(4) Uani 1 1 d . .
H20 H 0.2661 0.1795 0.6593 0.107 Uiso 1 1 calc R U
C21 C 0.3582(6) 0.2635(5) 0.6840(5) 0.075(3) Uani 1 1 d . .
H21 H 0.3328 0.2824 0.6590 0.089 Uiso 1 1 calc R U
C22 C 0.4342(5) 0.2950(4) 0.7200(4) 0.047(2) Uani 1 1 d . .
C23 C 0.4737(6) 0.2706(4) 0.7577(4) 0.054(2) Uani 1 1 d . .
H23 H 0.5258 0.2934 0.7819 0.064 Uiso 1 1 calc R U
C24 C 0.4785(6) 0.3585(5) 0.7151(5) 0.057(3) Uani 1 1 d . .
C25 C 0.5584(5) 0.0945(4) 0.7644(4) 0.046(2) Uani 1 1 d D .
C26 C 0.5598(5) 0.0714(4) 0.7039(4) 0.054(3) Uani 1 1 d D .
C27 C 0.5054(5) 0.0112(4) 0.6596(4) 0.056(3) Uani 1 1 d . .
H27 H 0.4686 -0.0157 0.6670 0.067 Uiso 1 1 calc R U
C28 C 0.5072(6) -0.0079(4) 0.6044(4) 0.062(3) Uani 1 1 d . .
H28 H 0.4735 -0.0490 0.5759 0.075 Uiso 1 1 calc R U
C29 C 0.5586(5) 0.0338(4) 0.5913(5) 0.055(3) Uani 1 1 d . .
H29 H 0.5587 0.0218 0.5535 0.066 Uiso 1 1 calc R U
C30 C 0.6094(5) 0.0932(4) 0.6353(5) 0.056(3) Uani 1 1 d . .
C31 C 0.6110(5) 0.1130(4) 0.6922(4) 0.046(2) Uani 1 1 d . .
H31 H 0.6461 0.1535 0.7213 0.056 Uiso 1 1 calc R U
C32 C 0.6654(5) 0.1399(5) 0.6217(4) 0.047(2) Uani 1 1 d . .
C33 C 1.1439(6) 0.2410(5) 1.2432(5) 0.056(3) Uani 1 1 d . .
C34 C 1.2275(5) 0.2798(4) 1.2853(4) 0.049(2) Uani 1 1 d . .
C35 C 1.2660(5) 0.2562(5) 1.3287(5) 0.064(3) Uani 1 1 d . .
H35 H 1.2403 0.2167 1.3315 0.077 Uiso 1 1 calc R U
C36 C 1.3435(7) 0.2918(6) 1.3681(6) 0.092(4) Uani 1 1 d . .
H36 H 1.3701 0.2781 1.3992 0.111 Uiso 1 1 calc R U
C37 C 1.3801(6) 0.3494(5) 1.3591(5) 0.072(3) Uani 1 1 d . .
H37 H 1.4322 0.3721 1.3815 0.086 Uiso 1 1 calc R U
C38 C 1.3412(5) 0.3714(4) 1.3193(5) 0.051(2) Uani 1 1 d D .
C39 C 1.2663(5) 0.3377(4) 1.2811(4) 0.046(2) Uani 1 1 d . .
H39 H 1.2409 0.3537 1.2519 0.055 Uiso 1 1 calc R U
C40 C 1.3839(6) 0.4346(4) 1.3121(5) 0.050(2) Uani 1 1 d D .
C41 C 0.9652(5) 0.2121(4) 1.2370(5) 0.053(3) Uani 1 1 d D .
C42 C 0.9333(6) 0.2301(5) 1.2773(5) 0.068(3) Uani 1 1 d D .
C43 C 0.9283(8) 0.2027(7) 1.3229(6) 0.112(5) Uani 1 1 d . .
H43 H 0.9476 0.1743 1.3321 0.134 Uiso 1 1 calc R U
C44 C 0.8950(10) 0.2174(7) 1.3543(7) 0.128(7) Uani 1 1 d . .
H44 H 0.8903 0.1985 1.3845 0.153 Uiso 1 1 calc R U
C45 C 0.8698(7) 0.2582(6) 1.3418(6) 0.087(4) Uani 1 1 d . .
H45 H 0.8458 0.2675 1.3627 0.104 Uiso 1 1 calc R U
C46 C 0.8777(6) 0.2874(5) 1.2990(4) 0.057(3) Uani 1 1 d D .
C47 C 0.9096(5) 0.2751(4) 1.2670(5) 0.056(3) Uani 1 1 d . .
H47 H 0.9159 0.2962 1.2385 0.067 Uiso 1 1 calc R U
C48 C 0.8480(5) 0.3360(3) 1.2884(4) 0.043(2) Uani 1 1 d D .
C49 C 1.0494(5) 0.1348(5) 1.0951(5) 0.049(2) Uani 1 1 d . .
C50 C 1.0793(5) 0.1158(4) 1.0537(4) 0.045(2) Uani 1 1 d . .
C51 C 1.0840(7) 0.0581(6) 1.0479(6) 0.091(4) Uani 1 1 d . .
H51 H 1.0661 0.0303 1.0677 0.109 Uiso 1 1 calc R U
C52 C 1.1144(8) 0.0432(5) 1.0140(6) 0.098(5) Uani 1 1 d . .
H52 H 1.1220 0.0074 1.0130 0.117 Uiso 1 1 calc R U
C53 C 1.1329(7) 0.0806(5) 0.9827(6) 0.086(4) Uani 1 1 d . .
H53 H 1.1487 0.0679 0.9556 0.103 Uiso 1 1 calc R U
C54 C 1.1307(5) 0.1363(5) 0.9869(5) 0.066(3) Uani 1 1 d D .
C55 C 1.1021(5) 0.1526(4) 1.0234(4) 0.047(2) Uani 1 1 d . .
H55 H 1.0990 0.1906 1.0265 0.057 Uiso 1 1 calc R U
C56 C 1.1591(6) 0.1785(5) 0.9516(4) 0.054(3) Uani 1 1 d D .
C57 C 0.9201(6) 0.5062(4) 1.3564(5) 0.052(3) Uani 1 1 d . .
C58 C 0.9903(5) 0.5584(4) 1.4105(5) 0.055(3) Uani 1 1 d . .
C59 C 1.0087(6) 0.5642(5) 1.4702(5) 0.071(3) Uani 1 1 d . .
H59 H 0.9753 0.5354 1.4795 0.085 Uiso 1 1 calc R U
C60 C 1.0754(6) 0.6114(5) 1.5188(5) 0.073(3) Uani 1 1 d . .
H60 H 1.0875 0.6138 1.5607 0.088 Uiso 1 1 calc R U
C61 C 1.1254(5) 0.6560(4) 1.5063(5) 0.066(3) Uani 1 1 d . .
H61 H 1.1715 0.6876 1.5395 0.079 Uiso 1 1 calc R U
C62 C 1.1062(5) 0.6528(4) 1.4455(4) 0.049(2) Uani 1 1 d . .
C63 C 1.0405(5) 0.6026(4) 1.3975(4) 0.052(2) Uani 1 1 d . .
H63 H 1.0293 0.5980 1.3555 0.063 Uiso 1 1 calc R U
C64 C 1.1549(4) 0.6996(4) 1.4293(4) 0.044(2) Uani 1 1 d . .
C65 C 0.7521(5) 0.4966(4) 1.2457(4) 0.051(2) Uani 1 1 d . .
C66 C 0.7271(5) 0.5476(4) 1.2368(5) 0.056(3) Uani 1 1 d . .
C67 C 0.6883(5) 0.5573(5) 1.2640(5) 0.062(3) Uani 1 1 d . .
H67 H 0.6757 0.5311 1.2869 0.075 Uiso 1 1 calc R U
C68 C 0.6663(7) 0.6045(5) 1.2596(6) 0.085(4) Uani 1 1 d . .
H68 H 0.6423 0.6125 1.2810 0.102 Uiso 1 1 calc R U
C69 C 0.6821(7) 0.6389(5) 1.2217(5) 0.075(3) Uani 1 1 d . .
H69 H 0.6637 0.6680 1.2136 0.089 Uiso 1 1 calc R U
C70 C 0.7237(6) 0.6318(5) 1.1957(5) 0.067(3) Uani 1 1 d . .
C71 C 0.7441(5) 0.5825(4) 1.2021(4) 0.052(2) Uani 1 1 d . .
H71 H 0.7693 0.5746 1.1820 0.063 Uiso 1 1 calc R U
C72 C 0.7487(6) 0.6727(5) 1.1580(5) 0.057(3) Uani 1 1 d . .
C73 C 1.3281(6) 0.3175(5) 1.0032(4) 0.055(3) Uani 1 1 d . .
C74 C 1.3966(5) 0.3535(5) 1.0647(5) 0.064(3) Uani 1 1 d . .
C75 C 1.4597(6) 0.3429(5) 1.0790(5) 0.077(3) Uani 1 1 d . .
H75 H 1.4592 0.3144 1.0488 0.093 Uiso 1 1 calc R U
C76 C 1.5215(7) 0.3755(6) 1.1384(6) 0.113(5) Uani 1 1 d . .
H76 H 1.5633 0.3693 1.1480 0.135 Uiso 1 1 calc R U
C77 C 1.5234(6) 0.4162(5) 1.1833(5) 0.079(4) Uani 1 1 d . .
H77 H 1.5656 0.4372 1.2236 0.094 Uiso 1 1 calc R U
C78 C 1.4630(7) 0.4263(5) 1.1689(5) 0.065(3) Uani 1 1 d . .
C79 C 1.4002(6) 0.3964(5) 1.1089(5) 0.058(3) Uani 1 1 d . .
H79 H 1.3606 0.4059 1.0991 0.069 Uiso 1 1 calc R U
C80 C 1.4635(6) 0.4729(4) 1.2166(5) 0.059(3) Uani 1 1 d . .
C81 C 1.0849(6) 0.1910(5) 0.7933(5) 0.058(3) Uani 1 1 d . .
C82 C 1.0142(6) 0.1563(5) 0.7307(5) 0.059(3) Uani 1 1 d . .
C83 C 1.0019(7) 0.1007(6) 0.6914(6) 0.088(4) Uani 1 1 d . .
H83 H 1.0347 0.0836 0.7061 0.106 Uiso 1 1 calc R U
C84 C 0.9418(8) 0.0718(6) 0.6316(7) 0.113(5) Uani 1 1 d . .
H84 H 0.9355 0.0373 0.6033 0.136 Uiso 1 1 calc R U
C85 C 0.8904(6) 0.0948(5) 0.6139(5) 0.080(3) Uani 1 1 d . .
H85 H 0.8474 0.0739 0.5741 0.096 Uiso 1 1 calc R U
C86 C 0.9010(6) 0.1473(5) 0.6534(5) 0.062(3) Uani 1 1 d . .
C87 C 0.9631(5) 0.1771(5) 0.7130(5) 0.053(3) Uani 1 1 d . .
H87 H 0.9695 0.2118 0.7410 0.064 Uiso 1 1 calc R U
C88 C 0.8465(5) 0.1734(4) 0.6317(5) 0.053(3) Uani 1 1 d . .
C89 C 0.6673(5) 0.2674(4) 0.5623(5) 0.049(2) Uani 1 1 d . .
C90 C 0.6161(5) 0.2962(4) 0.5427(4) 0.049(2) Uani 1 1 d . .
C91 C 0.5679(5) 0.2819(5) 0.4783(5) 0.059(3) Uani 1 1 d . .
H91 H 0.5697 0.2557 0.4480 0.071 Uiso 1 1 calc R U
C92 C 0.5196(5) 0.3050(5) 0.4594(5) 0.059(3) Uani 1 1 d . .
H92 H 0.4872 0.2945 0.4163 0.070 Uiso 1 1 calc R U
C93 C 0.5174(5) 0.3442(5) 0.5032(5) 0.067(3) Uani 1 1 d . .
H93 H 0.4855 0.3625 0.4902 0.080 Uiso 1 1 calc R U
C94 C 0.5644(5) 0.3573(4) 0.5698(4) 0.049(2) Uani 1 1 d . .
C95 C 0.6138(5) 0.3334(4) 0.5862(4) 0.053(2) Uani 1 1 d . .
H95 H 0.6470 0.3435 0.6290 0.064 Uiso 1 1 calc R U
C96 C 0.5574(5) 0.3975(4) 0.6186(4) 0.048(2) Uani 1 1 d . .
O1 O 0.6662(3) 0.1354(3) 0.9267(3) 0.0584(18) Uani 1 1 d . .
O2 O 0.5611(3) 0.0451(3) 0.8926(3) 0.0521(16) Uani 1 1 d . .
O3 O 0.6009(3) 0.2071(3) 0.9551(3) 0.0527(16) Uani 1 1 d . .
O4 O 0.4953(3) 0.1189(3) 0.9223(3) 0.0501(16) Uani 1 1 d . .
O5 O 0.5477(3) 0.2156(3) 0.8320(3) 0.0553(17) Uani 1 1 d . .
O6 O 0.4414(3) 0.1261(3) 0.7980(3) 0.0543(17) Uani 1 1 d . .
O7 O 0.6100(3) 0.1438(3) 0.8015(3) 0.0501(16) Uani 1 1 d . .
O8 O 0.5052(3) 0.0547(3) 0.7687(3) 0.0464(15) Uani 1 1 d . .
O9 O 1.1151(3) 0.2662(3) 1.2083(3) 0.0438(15) Uani 1 1 d . .
O10 O 1.1161(3) 0.1884(3) 1.2494(3) 0.0567(17) Uani 1 1 d . .
O11 O 0.9750(3) 0.2422(3) 1.2030(3) 0.0481(16) Uani 1 1 d . .
O12 O 0.9782(4) 0.1656(3) 1.2443(3) 0.0595(18) Uani 1 1 d . .
O13 O 0.9002(3) 0.1576(3) 1.0819(3) 0.0450(15) Uani 1 1 d . .
O14 O 0.9010(3) 0.0785(3) 1.1220(3) 0.0536(17) Uani 1 1 d . .
O15 O 1.0381(3) 0.1803(3) 1.0867(3) 0.0521(16) Uani 1 1 d . .
O16 O 1.0388(4) 0.1018(3) 1.1281(3) 0.0558(17) Uani 1 1 d . .
O17 O 0.9167(3) 0.4965(3) 1.3050(3) 0.0481(15) Uani 1 1 d . .
O18 O 0.8729(3) 0.4759(3) 1.3713(3) 0.0482(15) Uani 1 1 d . .
O19 O 0.7822(3) 0.4882(3) 1.2155(3) 0.0490(16) Uani 1 1 d . .
O20 O 0.7363(3) 0.4686(3) 1.2822(3) 0.0496(16) Uani 1 1 d . .
O21 O 0.7270(3) 0.3548(2) 1.1628(3) 0.0451(15) Uani 1 1 d . .
O22 O 0.6812(3) 0.3362(3) 1.2278(3) 0.0465(15) Uani 1 1 d . .
O23 O 0.8605(3) 0.3628(3) 1.2500(3) 0.0495(16) Uani 1 1 d . .
O24 O 0.8149(3) 0.3438(3) 1.3166(3) 0.0471(15) Uani 1 1 d . .
O25 O 1.2796(4) 0.3341(3) 0.9930(3) 0.0614(18) Uani 1 1 d . .
O26 O 1.3258(4) 0.2749(3) 0.9664(3) 0.0596(18) Uani 1 1 d . .
O27 O 1.1451(4) 0.2263(3) 0.9537(3) 0.0630(19) Uani 1 1 d . .
O28 O 1.1898(4) 0.1648(3) 0.9274(3) 0.0582(18) Uani 1 1 d . .
O29 O 1.0882(3) 0.2341(3) 0.8298(3) 0.0609(18) Uani 1 1 d . .
O30 O 1.1338(4) 0.1727(3) 0.8048(3) 0.0606(18) Uani 1 1 d . .
O31 O 1.2217(4) 0.3431(3) 0.8677(3) 0.066(2) Uani 1 1 d . .
O32 O 1.2661(4) 0.2823(3) 0.8405(3) 0.0618(19) Uani 1 1 d . .
O33 O 0.8548(3) 0.2146(3) 0.6736(3) 0.0495(16) Uani 1 1 d . .
O34 O 0.7955(3) 0.1483(3) 0.5747(3) 0.0498(15) Uani 1 1 d . .
O35 O 0.7144(3) 0.1896(3) 0.6656(3) 0.0534(16) Uani 1 1 d . .
O36 O 0.6569(3) 0.1243(3) 0.5684(3) 0.0476(15) Uani 1 1 d . .
O37 O 0.7162(4) 0.2908(3) 0.6176(3) 0.0548(17) Uani 1 1 d . .
O38 O 0.6587(3) 0.2251(3) 0.5215(3) 0.0439(14) Uani 1 1 d . .
O39 O 0.8548(3) 0.3159(2) 0.6259(3) 0.0486(15) Uani 1 1 d . .
O40 O 0.7940(3) 0.2496(3) 0.5254(3) 0.0458(15) Uani 1 1 d . .
O41 O 1.4552(3) 0.6128(3) 1.2498(3) 0.0585(18) Uani 1 1 d . .
O42 O 1.5629(3) 0.6250(3) 1.3267(3) 0.0571(17) Uani 1 1 d . .
O43 O 1.3906(3) 0.5837(3) 1.3281(3) 0.0507(16) Uani 1 1 d . .
O44 O 1.4959(3) 0.5907(3) 1.4033(3) 0.0492(16) Uani 1 1 d . .
O45 O 1.3436(3) 0.4531(3) 1.2748(3) 0.0510(16) Uani 1 1 d . .
O46 O 1.4528(3) 0.4633(3) 1.3482(3) 0.0528(16) Uani 1 1 d . .
O47 O 1.4071(3) 0.4805(3) 1.1975(3) 0.0554(17) Uani 1 1 d . .
O48 O 1.5161(4) 0.4943(3) 1.2709(3) 0.0594(18) Uani 1 1 d . .
O49 O 0.7188(5) 0.2713(4) 0.9156(5) 0.141(4) Uani 1 1 d . .
O50 O 0.3874(4) -0.0083(4) 0.8080(3) 0.082(2) Uani 1 1 d . .
O51 O 1.0070(5) 0.2966(4) 1.1031(4) 0.124(4) Uani 1 1 d . .
O52 O 1.0102(5) 0.0494(4) 1.2303(4) 0.116(3) Uani 1 1 d . .
O53 O 0.8676(5) 0.4398(6) 1.1611(4) 0.155(5) Uani 1 1 d . .
O54 O 0.7234(5) 0.3844(3) 1.3676(3) 0.089(3) Uani 1 1 d . U
O55 O 1.1420(9) 0.3537(7) 0.9529(8) 0.234(7) Uani 1 1 d . .
O56 O 1.2861(6) 0.1644(5) 0.8592(5) 0.137(4) Uani 1 1 d . .
O57 O 0.8509(6) 0.3250(4) 0.7500(3) 0.131(4) Uani 1 1 d . .
O58 O 0.6676(4) 0.1121(3) 0.4470(3) 0.075(2) Uani 1 1 d . U
O59 O 1.2843(4) 0.5179(5) 1.1795(4) 0.142(4) Uani 1 1 d . .
O60 O 1.6250(5) 0.5619(4) 1.4185(4) 0.101(3) Uani 1 1 d . .
Rh1 Rh 0.60894(4) 0.17791(3) 0.87979(3) 0.0501(2) Uani 1 1 d . .
Rh2 Rh 0.49717(4) 0.08398(3) 0.84429(3) 0.04446(19) Uani 1 1 d . .
Rh3 Rh 1.00651(4) 0.21405(3) 1.14438(3) 0.04437(19) Uani 1 1 d . .
Rh4 Rh 1.00775(4) 0.13115(3) 1.18716(4) 0.0465(2) Uani 1 1 d . .
Rh5 Rh 0.82218(4) 0.42598(3) 1.23116(3) 0.04496(19) Uani 1 1 d . .
Rh6 Rh 0.77468(4) 0.40583(3) 1.30103(3) 0.04178(18) Uani 1 1 d . .
Rh7 Rh 1.18213(5) 0.28620(4) 0.91210(4) 0.0577(2) Uani 1 1 d . .
Rh8 Rh 1.23104(5) 0.22221(4) 0.88407(4) 0.0536(2) Uani 1 1 d . .
Rh9 Rh 0.78727(4) 0.25457(3) 0.64868(3) 0.04541(19) Uani 1 1 d . .
Rh10 Rh 0.72454(4) 0.18394(3) 0.54482(3) 0.04200(18) Uani 1 1 d . .
Rh11 Rh 1.39627(4) 0.53250(3) 1.26012(4) 0.0498(2) Uani 1 1 d . .
Rh12 Rh 1.51003(4) 0.54413(3) 1.33964(4) 0.0488(2) Uani 1 1 d . .
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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 C1 O2 128.9(9) . .
O1 C1 C2 116.9(8) . .
O2 C1 C2 114.2(8) . .
C7 C2 C3 121.8(9) . .
C7 C2 C1 116.4(8) . .
C3 C2 C1 121.7(8) . .
C2 C3 C4 120.0(9) . .
C2 C3 H3 120.0 . .
C4 C3 H3 120.0 . .
C5 C4 C3 118.5(10) . .
C5 C4 H4 120.7 . .
C3 C4 H4 120.7 . .
C6 C5 C4 120.6(10) . .
C6 C5 H5 119.7 . .
C4 C5 H5 119.7 . .
C5 C6 C7 120.4(9) . .
C5 C6 C8 117.5(9) . .
C7 C6 C8 122.1(8) . .
C2 C7 C6 118.3(9) . .
C2 C7 H7 120.8 . .
C6 C7 H7 120.8 . .
O14 C8 O13 129.5(8) . .
O14 C8 C6 117.3(8) . .
O13 C8 C6 113.1(8) . .
O3 C9 O4 128.9(9) . .
O3 C9 C10 116.1(8) . .
O4 C9 C10 114.9(8) . .
C11 C10 C15 120.7(8) . .
C11 C10 C9 121.6(8) . .
C15 C10 C9 117.7(8) . .
C12 C11 C10 118.7(9) . .
C12 C11 H11 120.7 . .
C10 C11 H11 120.7 . .
C11 C12 C13 122.1(9) . .
C11 C12 H12 119.0 . .
C13 C12 H12 119.0 . .
C12 C13 C14 119.9(9) . .
C12 C13 H13 120.1 . .
C14 C13 H13 120.1 . .
C15 C14 C13 119.0(8) . .
C15 C14 C16 119.8(8) . .
C13 C14 C16 121.0(8) . .
C14 C15 C10 119.6(8) . .
C14 C15 H15 120.2 . .
C10 C15 H15 120.2 . .
O21 C16 O22 126.8(8) . .
O21 C16 C14 116.0(7) . .
O22 C16 C14 117.1(7) . .
O6 C17 O5 126.8(9) . .
O6 C17 C18 119.1(8) . .
O5 C17 C18 114.1(8) . .
C23 C18 C19 122.0(9) . .
C23 C18 C17 120.9(9) . .
C19 C18 C17 117.0(8) . .
C20 C19 C18 119.3(9) . .
C20 C19 H19 120.4 . .
C18 C19 H19 120.4 . .
C19 C20 C21 117.8(10) . .
C19 C20 H20 121.1 . .
C21 C20 H20 121.1 . .
C22 C21 C20 119.8(9) . .
C22 C21 H21 120.1 . .
C20 C21 H21 120.1 . .
C23 C22 C21 122.9(9) . .
C23 C22 C24 116.9(8) . .
C21 C22 C24 120.1(8) . .
C22 C23 C18 118.2(9) . .
C22 C23 H23 120.9 . .
C18 C23 H23 120.9 . .
O41 C24 O42 128.2(10) 2_767 2_767
O41 C24 C22 118.9(9) 2_767 .
O42 C24 C22 113.0(9) 2_767 .
O7 C25 O8 130.6(8) . .
O7 C25 C26 115.5(8) . .
O8 C25 C26 113.6(8) . .
C31 C26 C27 121.4(8) . .
C31 C26 C25 118.0(8) . .
C27 C26 C25 120.3(8) . .
C28 C27 C26 119.0(8) . .
C28 C27 H27 120.5 . .
C26 C27 H27 120.5 . .
C29 C28 C27 120.4(9) . .
C29 C28 H28 119.8 . .
C27 C28 H28 119.8 . .
C30 C29 C28 118.5(9) . .
C30 C29 H29 120.7 . .
C28 C29 H29 120.7 . .
C29 C30 C31 122.5(8) . .
C29 C30 C32 119.5(9) . .
C31 C30 C32 118.0(8) . .
C26 C31 C30 118.0(8) . .
C26 C31 H31 121.0 . .
C30 C31 H31 121.0 . .
O36 C32 O35 127.2(9) . .
O36 C32 C30 116.5(8) . .
O35 C32 C30 116.3(8) . .
O9 C33 O10 130.5(10) . .
O9 C33 C34 114.5(8) . .
O10 C33 C34 115.0(9) . .
C39 C34 C35 119.5(9) . .
C39 C34 C33 121.2(8) . .
C35 C34 C33 119.3(9) . .
C34 C35 C36 119.9(9) . .
C34 C35 H35 120.1 . .
C36 C35 H35 120.1 . .
C35 C36 C37 117.5(9) . .
C35 C36 H36 121.2 . .
C37 C36 H36 121.2 . .
C38 C37 C36 120.6(10) . .
C38 C37 H37 119.7 . .
C36 C37 H37 119.7 . .
C37 C38 C39 122.3(9) . .
C37 C38 C40 118.2(9) . .
C39 C38 C40 119.2(8) . .
C38 C39 C34 119.9(8) . .
C38 C39 H39 120.0 . .
C34 C39 H39 120.0 . .
O46 C40 O45 128.5(8) . .
O46 C40 C38 116.4(8) . .
O45 C40 C38 114.7(8) . .
O11 C41 O12 127.4(8) . .
O11 C41 C42 118.5(8) . .
O12 C41 C42 114.1(8) . .
C47 C42 C43 120.2(9) . .
C47 C42 C41 117.7(9) . .
C43 C42 C41 122.1(9) . .
C44 C43 C42 119.5(11) . .
C44 C43 H43 120.3 . .
C42 C43 H43 120.3 . .
C45 C44 C43 119.4(11) . .
C45 C44 H44 120.3 . .
C43 C44 H44 120.3 . .
C44 C45 C46 121.2(11) . .
C44 C45 H45 119.4 . .
C46 C45 H45 119.4 . .
C47 C46 C45 122.1(9) . .
C47 C46 C48 120.1(8) . .
C45 C46 C48 117.8(9) . .
C46 C47 C42 117.4(9) . .
C46 C47 H47 121.3 . .
C42 C47 H47 121.3 . .
O24 C48 O23 128.2(8) . .
O24 C48 C46 118.2(7) . .
O23 C48 C46 113.5(8) . .
O16 C49 O15 132.1(9) . .
O16 C49 C50 116.1(8) . .
O15 C49 C50 111.7(8) . .
C55 C50 C51 118.5(9) . .
C55 C50 C49 121.0(8) . .
C51 C50 C49 120.5(9) . .
C52 C51 C50 120.2(10) . .
C52 C51 H51 119.9 . .
C50 C51 H51 119.9 . .
C53 C52 C51 117.9(10) . .
C53 C52 H52 121.0 . .
C51 C52 H52 121.0 . .
C52 C53 C54 124.3(11) . .
C52 C53 H53 117.8 . .
C54 C53 H53 117.8 . .
C53 C54 C55 117.5(10) . .
C53 C54 C56 119.7(9) . .
C55 C54 C56 122.8(8) . .
C50 C55 C54 121.2(9) . .
C50 C55 H55 119.4 . .
C54 C55 H55 119.4 . .
O28 C56 O27 128.9(9) . .
O28 C56 C54 118.6(8) . .
O27 C56 C54 112.5(8) . .
O17 C57 O18 128.6(9) . .
O17 C57 C58 117.3(8) . .
O18 C57 C58 114.0(8) . .
C59 C58 C63 118.3(9) . .
C59 C58 C57 123.3(9) . .
C63 C58 C57 118.5(8) . .
C58 C59 C60 121.6(10) . .
C58 C59 H59 119.2 . .
C60 C59 H59 119.2 . .
C59 C60 C61 120.4(9) . .
C59 C60 H60 119.8 . .
C61 C60 H60 119.8 . .
C62 C61 C60 119.0(9) . .
C62 C61 H61 120.5 . .
C60 C61 H61 120.5 . .
C61 C62 C63 119.0(8) . .
C61 C62 C64 121.8(8) . .
C63 C62 C64 119.2(8) . .
C62 C63 C58 121.4(8) . .
C62 C63 H63 119.3 . .
C58 C63 H63 119.3 . .
O39 C64 O40 127.0(8) 2_767 2_767
O39 C64 C62 117.6(7) 2_767 .
O40 C64 C62 115.2(8) 2_767 .
O19 C65 O20 130.6(9) . .
O19 C65 C66 115.5(8) . .
O20 C65 C66 113.8(9) . .
C71 C66 C67 120.2(9) . .
C71 C66 C65 119.3(9) . .
C67 C66 C65 120.4(9) . .
C66 C67 C68 123.2(9) . .
C66 C67 H67 118.4 . .
C68 C67 H67 118.4 . .
C69 C68 C67 115.7(10) . .
C69 C68 H68 122.1 . .
C67 C68 H68 122.1 . .
C70 C69 C68 122.2(10) . .
C70 C69 H69 118.9 . .
C68 C69 H69 118.9 . .
C69 C70 C71 118.5(9) . .
C69 C70 C72 124.4(9) . .
C71 C70 C72 117.0(8) . .
C66 C71 C70 119.7(9) . .
C66 C71 H71 120.1 . .
C70 C71 H71 120.1 . .
O31 C72 O32 130.7(10) 2_767 2_767
O31 C72 C70 117.0(8) 2_767 .
O32 C72 C70 112.4(8) 2_767 .
O25 C73 O26 126.9(10) . .
O25 C73 C74 115.6(8) . .
O26 C73 C74 117.5(9) . .
C79 C74 C75 119.1(10) . .
C79 C74 C73 120.4(9) . .
C75 C74 C73 120.5(9) . .
C76 C75 C74 118.4(10) . .
C76 C75 H75 120.8 . .
C74 C75 H75 120.8 . .
C77 C76 C75 122.1(11) . .
C77 C76 H76 119.0 . .
C75 C76 H76 119.0 . .
C76 C77 C78 119.0(11) . .
C76 C77 H77 120.5 . .
C78 C77 H77 120.5 . .
C77 C78 C79 121.3(10) . .
C77 C78 C80 120.9(11) . .
C79 C78 C80 117.7(10) . .
C74 C79 C78 120.0(10) . .
C74 C79 H79 120.0 . .
C78 C79 H79 120.0 . .
O48 C80 O47 127.5(10) . .
O48 C80 C78 116.7(9) . .
O47 C80 C78 115.5(10) . .
O29 C81 O30 126.2(9) . .
O29 C81 C82 115.9(9) . .
O30 C81 C82 117.9(9) . .
C87 C82 C83 120.5(11) . .
C87 C82 C81 120.8(10) . .
C83 C82 C81 118.7(10) . .
C84 C83 C82 119.8(11) . .
C84 C83 H83 120.1 . .
C82 C83 H83 120.1 . .
C83 C84 C85 118.2(12) . .
C83 C84 H84 120.9 . .
C85 C84 H84 120.9 . .
C86 C85 C84 121.5(11) . .
C86 C85 H85 119.2 . .
C84 C85 H85 119.2 . .
C85 C86 C87 119.5(9) . .
C85 C86 C88 120.5(10) . .
C87 C86 C88 120.1(9) . .
C82 C87 C86 120.0(10) . .
C82 C87 H87 120.0 . .
C86 C87 H87 120.0 . .
O33 C88 O34 127.8(9) . .
O33 C88 C86 115.0(9) . .
O34 C88 C86 117.0(9) . .
O37 C89 O38 126.4(9) . .
O37 C89 C90 115.4(8) . .
O38 C89 C90 118.1(8) . .
C95 C90 C91 119.9(9) . .
C95 C90 C89 120.4(9) . .
C91 C90 C89 119.7(9) . .
C92 C91 C90 121.0(10) . .
C92 C91 H91 119.5 . .
C90 C91 H91 119.5 . .
C91 C92 C93 119.9(10) . .
C91 C92 H92 120.0 . .
C93 C92 H92 120.0 . .
C92 C93 C94 119.7(9) . .
C92 C93 H93 120.2 . .
C94 C93 H93 120.2 . .
C95 C94 C93 117.7(9) . .
C95 C94 C96 123.2(8) . .
C93 C94 C96 119.2(8) . .
C90 C95 C94 121.7(9) . .
C90 C95 H95 119.2 . .
C94 C95 H95 119.2 . .
O43 C96 O44 131.4(9) 2_767 2_767
O43 C96 C94 112.7(8) 2_767 .
O44 C96 C94 115.6(8) 2_767 .
C1 O1 Rh1 117.7(6) . .
C1 O2 Rh2 116.7(6) . .
C9 O3 Rh1 117.9(6) . .
C9 O4 Rh2 116.9(6) . .
C17 O5 Rh1 118.1(6) . .
C17 O6 Rh2 118.2(6) . .
C25 O7 Rh1 117.1(6) . .
C25 O8 Rh2 115.4(5) . .
C33 O9 Rh3 116.9(6) . .
C33 O10 Rh4 116.2(6) . .
C41 O11 Rh3 118.8(6) . .
C41 O12 Rh4 117.8(6) . .
C8 O13 Rh3 116.4(5) . .
C8 O14 Rh4 117.3(6) . .
C49 O15 Rh3 115.0(6) . .
C49 O16 Rh4 115.8(6) . .
C57 O17 Rh5 118.0(6) . .
C57 O18 Rh6 117.1(6) . .
C65 O19 Rh5 116.2(6) . .
C65 O20 Rh6 115.6(6) . .
C16 O21 Rh5 119.1(5) . .
C16 O22 Rh6 118.2(5) . .
C48 O23 Rh5 116.9(5) . .
C48 O24 Rh6 117.8(5) . .
C73 O25 Rh7 119.1(6) . .
C73 O26 Rh8 118.2(6) . .
C56 O27 Rh7 116.4(5) . .
C56 O28 Rh8 118.7(6) . .
C81 O29 Rh7 118.8(6) . .
C81 O30 Rh8 118.6(6) . .
C72 O31 Rh7 117.1(6) 2_767 .
C72 O32 Rh8 116.4(6) 2_767 .
C88 O33 Rh9 118.0(6) . .
C88 O34 Rh10 117.4(6) . .
C32 O35 Rh9 117.7(6) . .
C32 O36 Rh10 119.5(6) . .
C89 O37 Rh9 118.3(6) . .
C89 O38 Rh10 120.0(6) . .
C64 O39 Rh9 118.7(5) 2_767 .
C64 O40 Rh10 116.9(5) 2_767 .
C24 O41 Rh11 118.8(6) 2_767 .
C24 O42 Rh12 116.3(6) 2_767 .
C96 O43 Rh11 115.7(6) 2_767 .
C96 O44 Rh12 115.8(6) 2_767 .
C40 O45 Rh11 116.4(6) . .
C40 O46 Rh12 117.6(6) . .
C80 O47 Rh11 118.6(7) . .
C80 O48 Rh12 118.0(6) . .
O5 Rh1 O3 90.4(3) . .
O5 Rh1 O7 88.8(2) . .
O3 Rh1 O7 176.2(2) . .
O5 Rh1 O1 177.0(2) . .
O3 Rh1 O1 89.5(3) . .
O7 Rh1 O1 91.1(3) . .
O5 Rh1 O49 91.5(3) . .
O3 Rh1 O49 91.1(3) . .
O7 Rh1 O49 92.7(3) . .
O1 Rh1 O49 91.5(3) . .
O5 Rh1 Rh2 88.17(18) . .
O3 Rh1 Rh2 88.20(17) . .
O7 Rh1 Rh2 88.02(16) . .
O1 Rh1 Rh2 88.84(17) . .
O49 Rh1 Rh2 179.2(3) . .
O6 Rh2 O8 89.3(2) . .
O6 Rh2 O4 90.6(3) . .
O8 Rh2 O4 176.2(2) . .
O6 Rh2 O2 176.1(2) . .
O8 Rh2 O2 89.5(2) . .
O4 Rh2 O2 90.4(2) . .
O6 Rh2 O50 91.2(2) . .
O8 Rh2 O50 91.0(2) . .
O4 Rh2 O50 92.8(2) . .
O2 Rh2 O50 92.5(2) . .
O6 Rh2 Rh1 88.53(17) . .
O8 Rh2 Rh1 88.19(16) . .
O4 Rh2 Rh1 87.97(15) . .
O2 Rh2 Rh1 87.76(16) . .
O50 Rh2 Rh1 179.14(17) . .
O13 Rh3 O11 88.6(2) . .
O13 Rh3 O9 176.3(2) . .
O11 Rh3 O9 92.8(2) . .
O13 Rh3 O15 91.0(2) . .
O11 Rh3 O15 176.2(2) . .
O9 Rh3 O15 87.4(2) . .
O13 Rh3 O51 92.2(3) . .
O11 Rh3 O51 92.0(3) . .
O9 Rh3 O51 91.2(3) . .
O15 Rh3 O51 91.8(3) . .
O13 Rh3 Rh4 88.51(15) . .
O11 Rh3 Rh4 88.07(16) . .
O9 Rh3 Rh4 88.08(16) . .
O15 Rh3 Rh4 88.13(17) . .
O51 Rh3 Rh4 179.3(3) . .
O12 Rh4 O14 89.9(3) . .
O12 Rh4 O16 176.1(2) . .
O14 Rh4 O16 90.7(3) . .
O12 Rh4 O10 91.0(3) . .
O14 Rh4 O10 176.0(2) . .
O16 Rh4 O10 88.1(3) . .
O12 Rh4 O52 92.4(3) . .
O14 Rh4 O52 92.5(3) . .
O16 Rh4 O52 91.4(3) . .
O10 Rh4 O52 91.4(3) . .
O12 Rh4 Rh3 87.61(16) . .
O14 Rh4 Rh3 88.08(17) . .
O16 Rh4 Rh3 88.58(17) . .
O10 Rh4 Rh3 88.10(17) . .
O52 Rh4 Rh3 179.5(3) . .
O21 Rh5 O19 91.9(2) . .
O21 Rh5 O17 176.0(2) . .
O19 Rh5 O17 88.6(2) . .
O21 Rh5 O23 88.1(2) . .
O19 Rh5 O23 177.2(2) . .
O17 Rh5 O23 91.2(2) . .
O21 Rh5 O53 90.2(3) . .
O19 Rh5 O53 94.1(3) . .
O17 Rh5 O53 93.8(3) . .
O23 Rh5 O53 88.8(3) . .
O21 Rh5 Rh6 88.03(15) . .
O19 Rh5 Rh6 88.75(16) . .
O17 Rh5 Rh6 87.98(16) . .
O23 Rh5 Rh6 88.44(16) . .
O53 Rh5 Rh6 176.7(3) . .
O22 Rh6 O24 88.7(2) . .
O22 Rh6 O20 91.0(2) . .
O24 Rh6 O20 177.1(2) . .
O22 Rh6 O18 175.8(2) . .
O24 Rh6 O18 89.8(2) . .
O20 Rh6 O18 90.3(2) . .
O22 Rh6 O54 90.4(2) . .
O24 Rh6 O54 92.2(2) . .
O20 Rh6 O54 90.7(2) . .
O18 Rh6 O54 93.6(2) . .
O22 Rh6 Rh5 87.87(16) . .
O24 Rh6 Rh5 88.59(16) . .
O20 Rh6 Rh5 88.49(17) . .
O18 Rh6 Rh5 88.15(16) . .
O54 Rh6 Rh5 178.1(2) . .
O27 Rh7 O29 90.7(3) . .
O27 Rh7 O25 89.1(3) . .
O29 Rh7 O25 175.5(2) . .
O27 Rh7 O31 176.3(2) . .
O29 Rh7 O31 88.8(3) . .
O25 Rh7 O31 91.2(3) . .
O27 Rh7 Rh8 88.56(17) . .
O29 Rh7 Rh8 87.90(17) . .
O25 Rh7 Rh8 87.62(18) . .
O31 Rh7 Rh8 87.75(17) . .
O27 Rh7 O55 88.6(4) . .
O29 Rh7 O55 97.9(4) . .
O25 Rh7 O55 86.6(4) . .
O31 Rh7 O55 95.1(4) . .
Rh8 Rh7 O55 173.6(4) . .
O30 Rh8 O26 176.0(2) . .
O30 Rh8 O32 89.4(3) . .
O26 Rh8 O32 91.4(3) . .
O30 Rh8 O28 88.8(3) . .
O26 Rh8 O28 90.0(3) . .
O32 Rh8 O28 175.1(2) . .
O30 Rh8 O56 94.6(3) . .
O26 Rh8 O56 89.3(3) . .
O32 Rh8 O56 90.1(3) . .
O28 Rh8 O56 94.6(3) . .
O30 Rh8 Rh7 88.12(17) . .
O26 Rh8 Rh7 88.03(17) . .
O32 Rh8 Rh7 87.99(18) . .
O28 Rh8 Rh7 87.43(18) . .
O56 Rh8 Rh7 176.6(3) . .
O39 Rh9 O33 89.9(2) . .
O39 Rh9 O37 89.7(2) . .
O33 Rh9 O37 176.1(2) . .
O39 Rh9 O35 176.2(2) . .
O33 Rh9 O35 91.0(2) . .
O37 Rh9 O35 89.1(3) . .
O39 Rh9 O57 90.3(3) . .
O33 Rh9 O57 91.7(3) . .
O37 Rh9 O57 92.2(3) . .
O35 Rh9 O57 93.3(3) . .
O39 Rh9 Rh10 88.47(16) . .
O33 Rh9 Rh10 87.93(16) . .
O37 Rh9 Rh10 88.13(18) . .
O35 Rh9 Rh10 87.90(17) . .
O57 Rh9 Rh10 178.7(3) . .
O36 Rh10 O34 91.3(2) . .
O36 Rh10 O38 89.3(2) . .
O34 Rh10 O38 175.5(2) . .
O36 Rh10 O40 175.9(2) . .
O34 Rh10 O40 90.7(2) . .
O38 Rh10 O40 88.5(2) . .
O36 Rh10 O58 91.5(2) . .
O34 Rh10 O58 88.0(3) . .
O38 Rh10 O58 96.5(2) . .
O40 Rh10 O58 92.2(2) . .
O36 Rh10 Rh9 87.62(17) . .
O34 Rh10 Rh9 88.57(18) . .
O38 Rh10 Rh9 86.94(16) . .
O40 Rh10 Rh9 88.80(15) . .
O58 Rh10 Rh9 176.43(18) . .
O45 Rh11 O41 176.4(2) . .
O45 Rh11 O47 88.5(3) . .
O41 Rh11 O47 91.5(3) . .
O45 Rh11 O43 90.1(2) . .
O41 Rh11 O43 89.7(3) . .
O47 Rh11 O43 175.9(2) . .
O45 Rh11 O59 90.9(3) . .
O41 Rh11 O59 92.8(3) . .
O47 Rh11 O59 89.9(3) . .
O43 Rh11 O59 94.0(3) . .
O45 Rh11 Rh12 88.45(16) . .
O41 Rh11 Rh12 87.90(17) . .
O47 Rh11 Rh12 88.00(18) . .
O43 Rh11 Rh12 88.15(17) . .
O59 Rh11 Rh12 177.8(3) . .
O46 Rh12 O42 176.9(2) . .
O46 Rh12 O44 89.4(2) . .
O42 Rh12 O44 91.0(2) . .
O46 Rh12 O48 88.9(3) . .
O42 Rh12 O48 90.4(3) . .
O44 Rh12 O48 175.7(3) . .
O46 Rh12 O60 94.9(3) . .
O42 Rh12 O60 88.2(3) . .
O44 Rh12 O60 90.7(3) . .
O48 Rh12 O60 93.4(3) . .
O46 Rh12 Rh11 88.30(17) . .
O42 Rh12 Rh11 88.61(18) . .
O44 Rh12 Rh11 88.22(17) . .
O48 Rh12 Rh11 87.78(19) . .
O60 Rh12 Rh11 176.6(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.252(10) .
C1 O2 1.274(10) .
C1 C2 1.519(12) .
C2 C7 1.365(11) .
C2 C3 1.365(12) .
C3 C4 1.411(13) .
C3 H3 0.9500 .
C4 C5 1.381(13) .
C4 H4 0.9500 .
C5 C6 1.374(12) .
C5 H5 0.9500 .
C6 C7 1.409(12) .
C6 C8 1.561(11) .
C7 H7 0.9500 .
C8 O14 1.237(9) .
C8 O13 1.283(10) .
C9 O3 1.251(9) .
C9 O4 1.259(10) .
C9 C10 1.547(12) .
C10 C11 1.374(12) .
C10 C15 1.410(11) .
C11 C12 1.347(13) .
C11 H11 0.9500 .
C12 C13 1.382(12) .
C12 H12 0.9500 .
C13 C14 1.386(12) .
C13 H13 0.9500 .
C14 C15 1.372(11) .
C14 C16 1.530(11) .
C15 H15 0.9500 .
C16 O21 1.249(9) .
C16 O22 1.268(9) .
C17 O6 1.267(10) .
C17 O5 1.288(10) .
C17 C18 1.548(12) .
C18 C23 1.378(12) .
C18 C19 1.424(13) .
C19 C20 1.410(13) .
C19 H19 0.9500 .
C20 C21 1.433(13) .
C20 H20 0.9500 .
C21 C22 1.388(12) .
C21 H21 0.9500 .
C22 C23 1.368(11) .
C22 C24 1.550(13) .
C23 H23 0.9500 .
C24 O41 1.222(11) 2_767
C24 O42 1.306(10) 2_767
C25 O7 1.208(9) .
C25 O8 1.286(9) .
C25 C26 1.556(10) .
C26 C31 1.386(11) .
C26 C27 1.425(12) .
C27 C28 1.414(12) .
C27 H27 0.9500 .
C28 C29 1.411(12) .
C28 H28 0.9500 .
C29 C30 1.399(12) .
C29 H29 0.9500 .
C30 C31 1.417(12) .
C30 C32 1.542(12) .
C31 H31 0.9500 .
C32 O36 1.245(9) .
C32 O35 1.253(10) .
C33 O9 1.233(10) .
C33 O10 1.260(10) .
C33 C34 1.537(13) .
C34 C39 1.400(11) .
C34 C35 1.417(12) .
C35 C36 1.424(14) .
C35 H35 0.9500 .
C36 C37 1.436(14) .
C36 H36 0.9500 .
C37 C38 1.344(12) .
C37 H37 0.9500 .
C38 C39 1.376(11) .
C38 C40 1.560(11) .
C39 H39 0.9500 .
C40 O46 1.266(10) .
C40 O45 1.269(10) .
C41 O11 1.219(10) .
C41 O12 1.288(10) .
C41 C42 1.556(12) .
C42 C47 1.394(12) .
C42 C43 1.406(13) .
C43 C44 1.379(14) .
C43 H43 0.9500 .
C44 C45 1.326(14) .
C44 H44 0.9500 .
C45 C46 1.386(13) .
C45 H45 0.9500 .
C46 C47 1.345(11) .
C46 C48 1.564(11) .
C47 H47 0.9500 .
C48 O24 1.260(9) .
C48 O23 1.284(9) .
C49 O16 1.248(10) .
C49 O15 1.249(10) .
C49 C50 1.552(12) .
C50 C55 1.332(11) .
C50 C51 1.445(13) .
C51 C52 1.376(14) .
C51 H51 0.9500 .
C52 C53 1.328(13) .
C52 H52 0.9500 .
C53 C54 1.369(13) .
C53 H53 0.9500 .
C54 C55 1.405(12) .
C54 C56 1.557(13) .
C55 H55 0.9500 .
C56 O28 1.189(9) .
C56 O27 1.316(10) .
C57 O17 1.235(10) .
C57 O18 1.271(10) .
C57 C58 1.507(12) .
C58 C59 1.339(12) .
C58 C63 1.422(12) .
C59 C60 1.390(13) .
C59 H59 0.9500 .
C60 C61 1.415(12) .
C60 H60 0.9500 .
C61 C62 1.374(12) .
C61 H61 0.9500 .
C62 C63 1.401(12) .
C62 C64 1.487(11) .
C63 H63 0.9500 .
C64 O39 1.279(9) 2_767
C64 O40 1.289(9) 2_767
C65 O19 1.243(10) .
C65 O20 1.286(10) .
C65 C66 1.549(12) .
C66 C71 1.349(12) .
C66 C67 1.369(12) .
C67 C68 1.412(13) .
C67 H67 0.9500 .
C68 C69 1.400(13) .
C68 H68 0.9500 .
C69 C70 1.383(13) .
C69 H69 0.9500 .
C70 C71 1.442(12) .
C70 C72 1.559(13) .
C71 H71 0.9500 .
C72 O31 1.217(10) 2_767
C72 O32 1.260(10) 2_767
C73 O25 1.246(10) .
C73 O26 1.268(10) .
C73 C74 1.490(13) .
C74 C79 1.374(13) .
C74 C75 1.450(13) .
C75 C76 1.400(15) .
C75 H75 0.9500 .
C76 C77 1.373(14) .
C76 H76 0.9500 .
C77 C78 1.384(13) .
C77 H77 0.9500 .
C78 C79 1.414(14) .
C78 C80 1.529(13) .
C79 H79 0.9500 .
C80 O48 1.248(11) .
C80 O47 1.258(11) .
C81 O29 1.259(11) .
C81 O30 1.279(10) .
C81 C82 1.524(13) .
C82 C87 1.361(12) .
C82 C83 1.428(14) .
C83 C84 1.389(16) .
C83 H83 0.9500 .
C84 C85 1.406(14) .
C84 H84 0.9500 .
C85 C86 1.389(14) .
C85 H85 0.9500 .
C86 C87 1.402(13) .
C86 C88 1.527(12) .
C87 H87 0.9500 .
C88 O33 1.252(10) .
C88 O34 1.277(11) .
C89 O37 1.238(10) .
C89 O38 1.250(10) .
C89 C90 1.513(12) .
C90 C95 1.352(12) .
C90 C91 1.423(12) .
C91 C92 1.353(12) .
C91 H91 0.9500 .
C92 C93 1.387(13) .
C92 H92 0.9500 .
C93 C94 1.465(13) .
C93 H93 0.9500 .
C94 C95 1.383(11) .
C94 C96 1.564(12) .
C95 H95 0.9500 .
C96 O43 1.233(10) 2_767
C96 O44 1.256(10) 2_767
O1 Rh1 2.039(6) .
O2 Rh2 2.073(6) .
O3 Rh1 2.020(6) .
O4 Rh2 2.041(6) .
O5 Rh1 2.008(6) .
O6 Rh2 2.007(6) .
O7 Rh1 2.032(6) .
O8 Rh2 2.029(5) .
O9 Rh3 2.035(6) .
O10 Rh4 2.038(6) .
O11 Rh3 2.016(6) .
O12 Rh4 2.014(6) .
O13 Rh3 2.007(6) .
O14 Rh4 2.017(6) .
O15 Rh3 2.052(6) .
O16 Rh4 2.028(6) .
O17 Rh5 2.041(6) .
O18 Rh6 2.040(6) .
O19 Rh5 2.034(6) .
O20 Rh6 2.034(6) .
O21 Rh5 2.007(6) .
O22 Rh6 2.019(6) .
O23 Rh5 2.044(6) .
O24 Rh6 2.033(6) .
O25 Rh7 2.035(7) .
O26 Rh8 2.035(7) .
O27 Rh7 2.017(6) .
O28 Rh8 2.050(6) .
O29 Rh7 2.025(7) .
O30 Rh8 2.014(7) .
O31 C72 1.217(10) 2_767
O31 Rh7 2.049(6) .
O32 C72 1.260(10) 2_767
O32 Rh8 2.042(6) .
O33 Rh9 2.034(6) .
O34 Rh10 2.021(6) .
O35 Rh9 2.043(6) .
O36 Rh10 2.018(5) .
O37 Rh9 2.037(6) .
O38 Rh10 2.023(6) .
O39 C64 1.279(9) 2_767
O39 Rh9 2.023(6) .
O40 C64 1.290(9) 2_767
O40 Rh10 2.046(5) .
O41 C24 1.222(11) 2_767
O41 Rh11 2.031(6) .
O42 C24 1.306(10) 2_767
O42 Rh12 2.031(6) .
O43 C96 1.233(10) 2_767
O43 Rh11 2.049(6) .
O44 C96 1.256(10) 2_767
O44 Rh12 2.034(6) .
O45 Rh11 2.026(6) .
O46 Rh12 2.008(6) .
O47 Rh11 2.034(6) .
O48 Rh12 2.053(7) .
O49 Rh1 2.369(8) .
O50 Rh2 2.351(8) .
O51 Rh3 2.366(7) .
O52 Rh4 2.383(7) .
O53 Rh5 2.353(8) .
O54 Rh6 2.382(7) .
O55 Rh7 2.449(11) .
O56 Rh8 2.370(8) .
O57 Rh9 2.345(7) .
O58 Rh10 2.314(7) .
O59 Rh11 2.352(7) .
O60 Rh12 2.357(8) .
Rh1 Rh2 2.4005(10) .
Rh3 Rh4 2.3991(10) .
Rh5 Rh6 2.3951(10) .
Rh7 Rh8 2.4027(11) .
Rh9 Rh10 2.3956(11) .
Rh11 Rh12 2.3964(11) .
