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#$Date: 2025-08-21 17:09:30 +0300 (Thu, 21 Aug 2025) $
#$Revision: 301850 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/78/7047870.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_7047870
loop_
_publ_author_name
'Kataoka, Yusuke'
'Arakawa, Kazuki'
'Ueda, Hikaru'
'Yano, Natsumi'
'Kawamoto, Tatsuya'
'Handa, Makoto'
_publ_section_title
;
 Experimental and theoretical study of dimer-of-dimers-type
 tetrarhodium(ii) complexes bridged by 1,4-benzenedicarboxylate linkers.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17233
_journal_page_last               17242
_journal_paper_doi               10.1039/c8dt03293a
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C54 H90 O20 Rh4'
_chemical_formula_weight         1470.89
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-10-03 deposited with the CCDC.
2018-10-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 111.302(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.4346(5)
_cell_length_b                   33.9316(12)
_cell_length_c                   10.1175(5)
_cell_measurement_reflns_used    19073
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.72
_cell_measurement_theta_min      2.16
_cell_volume                     3337.5(3)
_computing_cell_refinement       'CrysAlisPro 38.46 (Rigaku Inc., 2015)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrysAlisPro 38.46 (Rigaku Inc., 2015)'
_computing_molecular_graphics    'CrystalStructure 4.3 (Rigaku, 2018)'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2018)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SIR2004 (Burla, et al., 2005)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 7.111
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       ω
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0590
_diffrn_reflns_av_unetI/netI     0.0334
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            24395
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        24.250
_diffrn_reflns_theta_max         24.250
_diffrn_reflns_theta_min         2.813
_diffrn_source                   'VariMax rotating anode'
_exptl_absorpt_coefficient_mu    1.034
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.583
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrystalClear (Rigaku)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.464
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1508
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.001
_refine_diff_density_max         0.820
_refine_diff_density_min         -0.685
_refine_diff_density_rms         0.167
_refine_ls_extinction_coef       0.0039(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     410
_refine_ls_number_reflns         5352
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.109
_refine_ls_R_factor_all          0.0461
_refine_ls_R_factor_gt           0.0392
_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)+(0.0622P)²+1.9465P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1047
_refine_ls_wR_factor_ref         0.1093
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4559
_reflns_number_total             5352
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt03293a2.cif
_cod_data_source_block           complex1_Rh4piv6BDC_THF4
_cod_depositor_comments
'Adding full bibliography for 7047870--7047871.cif.'
_cod_database_code               7047870
_shelx_shelxl_version_number     2014/7
_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.
;
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'
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 0.42937(3) 0.88959(2) 0.13174(3) 0.02545(14) Uani 1 1 d . . . . .
Rh2 Rh 0.36956(3) 0.88692(2) 0.33740(3) 0.02467(14) Uani 1 1 d . . . . .
O1 O 0.2758(3) 0.84968(7) 0.0408(3) 0.0373(6) Uani 1 1 d . . . . .
O2 O 0.2256(3) 0.84611(7) 0.2384(3) 0.0351(6) Uani 1 1 d . . . . .
O3 O 0.5629(3) 0.84467(7) 0.2150(3) 0.0376(6) Uani 1 1 d . . . . .
O4 O 0.5112(3) 0.84358(7) 0.4122(3) 0.0374(6) Uani 1 1 d . . . . .
O5 O 0.5803(3) 0.92808(8) 0.2356(3) 0.0349(6) Uani 1 1 d . . . . .
O6 O 0.5206(3) 0.92707(7) 0.4284(3) 0.0343(6) Uani 1 1 d . . . . .
O7 O 0.2895(3) 0.93363(7) 0.0579(3) 0.0338(6) Uani 1 1 d . . . . .
O8 O 0.2259(2) 0.92952(7) 0.2480(2) 0.0303(5) Uani 1 1 d . . . . .
O9 O 0.4989(3) 0.89499(8) -0.0612(3) 0.0424(7) Uani 1 1 d . . . . .
O10 O 0.3117(3) 0.88139(7) 0.5363(3) 0.0366(6) Uani 1 1 d . . . . .
C1 C 0.2083(4) 0.83660(10) 0.1122(4) 0.0350(9) Uani 1 1 d . . . . .
C2 C 0.0953(5) 0.80666(14) 0.0414(4) 0.0547(12) Uani 1 1 d . . . . .
C6 C 0.5755(4) 0.83146(11) 0.3357(4) 0.0351(8) Uani 1 1 d . . . . .
C7 C 0.6745(5) 0.79702(13) 0.3927(5) 0.0563(13) Uani 1 1 d . . . . .
C8 C 0.7771(7) 0.7948(2) 0.3218(7) 0.117(3) Uani 1 1 d . . . . .
H8A H 0.7289 0.7925 0.2190 0.141 Uiso 1 1 calc R U . . .
H8B H 0.8337 0.8186 0.3430 0.141 Uiso 1 1 calc R U . . .
H8C H 0.8360 0.7716 0.3568 0.141 Uiso 1 1 calc R U . . .
C9 C 0.5882(8) 0.75995(16) 0.3587(9) 0.132(3) Uani 1 1 d . . . . .
H9A H 0.5202 0.7611 0.4047 0.158 Uiso 1 1 calc R U . . .
H9B H 0.5406 0.7578 0.2558 0.158 Uiso 1 1 calc R U . . .
H9C H 0.6477 0.7369 0.3936 0.158 Uiso 1 1 calc R U . . .
C10 C 0.7435(7) 0.8005(2) 0.5511(6) 0.103(3) Uani 1 1 d . . . . .
H10A H 0.6735 0.8020 0.5944 0.124 Uiso 1 1 calc R U . . .
H10B H 0.8022 0.7775 0.5880 0.124 Uiso 1 1 calc R U . . .
H10C H 0.7999 0.8245 0.5742 0.124 Uiso 1 1 calc R U . . .
C11 C 0.5980(4) 0.93740(10) 0.3631(4) 0.0331(8) Uani 1 1 d . . . . .
C12 C 0.7250(4) 0.96191(11) 0.4436(4) 0.0402(9) Uani 1 1 d . . . . .
C13 C 0.8235(5) 0.93528(16) 0.5517(6) 0.0858(18) Uani 1 1 d . . . . .
H13A H 0.8483 0.9131 0.5035 0.103 Uiso 1 1 calc R U . . .
H13B H 0.9066 0.9501 0.6062 0.103 Uiso 1 1 calc R U . . .
H13C H 0.7800 0.9252 0.6160 0.103 Uiso 1 1 calc R U . . .
C14 C 0.6853(6) 0.99644(15) 0.5162(6) 0.0740(16) Uani 1 1 d . . . . .
H14A H 0.6211 1.0136 0.4445 0.089 Uiso 1 1 calc R U . . .
H14B H 0.6413 0.9866 0.5804 0.089 Uiso 1 1 calc R U . . .
H14C H 0.7679 1.0114 0.5706 0.089 Uiso 1 1 calc R U . . .
C15 C 0.7911(6) 0.97877(19) 0.3435(6) 0.0855(19) Uani 1 1 d . . . . .
H15A H 0.7252 0.9960 0.2738 0.103 Uiso 1 1 calc R U . . .
H15B H 0.8732 0.9939 0.3982 0.103 Uiso 1 1 calc R U . . .
H15C H 0.8172 0.9572 0.2941 0.103 Uiso 1 1 calc R U . . .
C16 C 0.2154(4) 0.94298(9) 0.1277(3) 0.0287(8) Uani 1 1 d . . . . .
C17 C 0.1044(3) 0.97230(10) 0.0627(3) 0.0293(8) Uani 1 1 d . . . . .
C18 C 0.0893(4) 0.98995(11) -0.0665(4) 0.0378(9) Uani 1 1 d . . . . .
H18 H 0.1507 0.9832 -0.1130 0.045 Uiso 1 1 calc R U . . .
C19 C 0.0135(4) 0.98296(11) 0.1276(4) 0.0379(9) Uani 1 1 d . . . . .
H19 H 0.0222 0.9714 0.2160 0.046 Uiso 1 1 calc R U . . .
C20 C 0.6373(6) 0.88197(19) -0.0389(7) 0.0841(19) Uani 1 1 d . . . . .
H20A H 0.6826 0.8717 0.0586 0.101 Uiso 0.47(3) 1 calc R U P A 1
H20B H 0.6359 0.8609 -0.1071 0.101 Uiso 0.47(3) 1 calc R U P A 1
H20C H 0.6381 0.8533 -0.0564 0.101 Uiso 0.53(3) 1 calc R U P A 2
H20D H 0.6988 0.8873 0.0600 0.101 Uiso 0.53(3) 1 calc R U P A 2
C23 C 0.4862(6) 0.93394(15) -0.1219(6) 0.0727(15) Uani 1 1 d . . . . .
H23A H 0.4345 0.9327 -0.2255 0.087 Uiso 0.47(3) 1 calc R U P A 1
H23B H 0.4354 0.9513 -0.0794 0.087 Uiso 0.47(3) 1 calc R U P A 1
H23C H 0.5001 0.9542 -0.0477 0.087 Uiso 0.53(3) 1 calc R U P A 2
H23D H 0.3937 0.9376 -0.1957 0.087 Uiso 0.53(3) 1 calc R U P A 2
C24 C 0.3369(6) 0.84310(15) 0.6014(6) 0.0752(17) Uani 1 1 d . . . . .
H24A H 0.4337 0.8410 0.6670 0.090 Uiso 1 1 calc R U . . .
H24B H 0.3192 0.8224 0.5280 0.090 Uiso 1 1 calc R U . . .
C25 C 0.2437(7) 0.83830(17) 0.6795(6) 0.0856(18) Uani 1 1 d . . . . .
H25A H 0.2969 0.8353 0.7822 0.103 Uiso 0.67(3) 1 calc R U P B 1
H25B H 0.1852 0.8147 0.6456 0.103 Uiso 0.67(3) 1 calc R U P B 1
H25C H 0.2317 0.8104 0.7010 0.103 Uiso 0.33(3) 1 calc R U P B 2
H25D H 0.2716 0.8543 0.7673 0.103 Uiso 0.33(3) 1 calc R U P B 2
C26A C 0.1561(14) 0.8752(3) 0.6517(13) 0.063(4) Uani 0.67(3) 1 d . . P B 1
H26A H 0.0583 0.8688 0.6317 0.076 Uiso 0.67(3) 1 calc R U P B 1
H26B H 0.1890 0.8936 0.7331 0.076 Uiso 0.67(3) 1 calc R U P B 1
C26B C 0.125(2) 0.8541(19) 0.568(6) 0.17(2) Uani 0.33(3) 1 d . . P B 2
H26C H 0.0499 0.8595 0.6034 0.203 Uiso 0.33(3) 1 calc R U P B 2
H26D H 0.0913 0.8355 0.4874 0.203 Uiso 0.33(3) 1 calc R U P B 2
C27 C 0.1758(5) 0.89216(15) 0.5238(6) 0.0651(14) Uani 1 1 d . . . . .
H27A H 0.1074 0.8811 0.4358 0.078 Uiso 0.67(3) 1 calc R U P B 1
H27B H 0.1657 0.9212 0.5219 0.078 Uiso 0.67(3) 1 calc R U P B 1
H27C H 0.1190 0.8995 0.4252 0.078 Uiso 0.33(3) 1 calc R U P B 2
H27D H 0.1764 0.9142 0.5882 0.078 Uiso 0.33(3) 1 calc R U P B 2
C3A C 0.0148(15) 0.8168(5) -0.1061(12) 0.081(5) Uani 0.51(2) 1 d . . P C 1
H3A H 0.0764 0.8196 -0.1591 0.097 Uiso 0.51(2) 1 calc R U P C 1
H3B H -0.0521 0.7958 -0.1488 0.097 Uiso 0.51(2) 1 calc R U P C 1
H3C H -0.0339 0.8416 -0.1091 0.097 Uiso 0.51(2) 1 calc R U P C 1
C4A C 0.1755(18) 0.7676(4) 0.039(2) 0.148(10) Uani 0.51(2) 1 d . . P C 1
H4A H 0.2309 0.7598 0.1363 0.178 Uiso 0.51(2) 1 calc R U P C 1
H4B H 0.1096 0.7466 -0.0065 0.178 Uiso 0.51(2) 1 calc R U P C 1
H4C H 0.2358 0.7720 -0.0147 0.178 Uiso 0.51(2) 1 calc R U P C 1
C5A C -0.001(2) 0.8024(7) 0.1218(16) 0.095(7) Uani 0.51(2) 1 d . . P C 1
H5A H 0.0520 0.7956 0.2208 0.114 Uiso 0.51(2) 1 calc R U P C 1
H5B H -0.0496 0.8273 0.1181 0.114 Uiso 0.51(2) 1 calc R U P C 1
H5C H -0.0679 0.7815 0.0785 0.114 Uiso 0.51(2) 1 calc R U P C 1
C3B C -0.0344(17) 0.8327(6) -0.038(3) 0.170(14) Uani 0.49(2) 1 d . . P C 2
H3D H -0.0536 0.8499 0.0311 0.204 Uiso 0.49(2) 1 calc R U P C 2
H3E H -0.0167 0.8490 -0.1092 0.204 Uiso 0.49(2) 1 calc R U P C 2
H3F H -0.1139 0.8157 -0.0838 0.204 Uiso 0.49(2) 1 calc R U P C 2
C4B C 0.125(2) 0.7812(6) -0.059(2) 0.113(10) Uani 0.49(2) 1 d . . P C 2
H4D H 0.0482 0.7627 -0.1006 0.135 Uiso 0.49(2) 1 calc R U P C 2
H4E H 0.1363 0.7972 -0.1347 0.135 Uiso 0.49(2) 1 calc R U P C 2
H4F H 0.2094 0.7663 -0.0104 0.135 Uiso 0.49(2) 1 calc R U P C 2
C5B C 0.073(2) 0.7792(5) 0.1539(15) 0.074(5) Uani 0.49(2) 1 d . . P C 2
H5D H 0.0531 0.7952 0.2247 0.089 Uiso 0.49(2) 1 calc R U P C 2
H5E H -0.0039 0.7614 0.1074 0.089 Uiso 0.49(2) 1 calc R U P C 2
H5F H 0.1569 0.7637 0.2007 0.089 Uiso 0.49(2) 1 calc R U P C 2
C21A C 0.708(2) 0.9158(9) -0.061(3) 0.116(9) Uani 0.47(3) 1 d . . P A 1
H21A H 0.7422 0.9110 -0.1389 0.139 Uiso 0.47(3) 1 calc R U P A 1
H21B H 0.7880 0.9220 0.0264 0.139 Uiso 0.47(3) 1 calc R U P A 1
C22A C 0.6112(19) 0.9484(6) -0.097(3) 0.113(8) Uani 0.47(3) 1 d . . P A 1
H22A H 0.6356 0.9674 -0.0170 0.135 Uiso 0.47(3) 1 calc R U P A 1
H22B H 0.6137 0.9623 -0.1816 0.135 Uiso 0.47(3) 1 calc R U P A 1
C21B C 0.683(3) 0.9034(9) -0.137(2) 0.110(9) Uani 0.53(3) 1 d . . P A 2
H21C H 0.7799 0.9120 -0.0892 0.132 Uiso 0.53(3) 1 calc R U P A 2
H21D H 0.6781 0.8864 -0.2184 0.132 Uiso 0.53(3) 1 calc R U P A 2
C22B C 0.5946(13) 0.9373(4) -0.1857(16) 0.069(4) Uani 0.53(3) 1 d . . P A 2
H22C H 0.5523 0.9374 -0.2906 0.082 Uiso 0.53(3) 1 calc R U P A 2
H22D H 0.6476 0.9620 -0.1544 0.082 Uiso 0.53(3) 1 calc R U P A 2
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
O5 Rh1 O3 88.95(12) .
O5 Rh1 O7 92.07(11) .
O3 Rh1 O7 176.12(10) .
O5 Rh1 O1 175.80(9) .
O3 Rh1 O1 89.83(11) .
O7 Rh1 O1 88.89(11) .
O5 Rh1 O9 87.92(10) .
O3 Rh1 O9 91.78(10) .
O7 Rh1 O9 92.00(9) .
O1 Rh1 O9 96.14(10) .
O5 Rh1 Rh2 88.42(7) .
O3 Rh1 Rh2 88.11(7) .
O7 Rh1 Rh2 88.18(7) .
O1 Rh1 Rh2 87.52(7) .
O9 Rh1 Rh2 176.34(7) .
O2 Rh2 O4 89.88(11) .
O2 Rh2 O6 176.35(10) .
O4 Rh2 O6 88.67(11) .
O2 Rh2 O8 88.37(11) .
O4 Rh2 O8 175.99(9) .
O6 Rh2 O8 92.85(10) .
O2 Rh2 O10 89.65(10) .
O4 Rh2 O10 90.09(10) .
O6 Rh2 O10 93.71(10) .
O8 Rh2 O10 93.51(9) .
O2 Rh2 Rh1 88.65(7) .
O4 Rh2 Rh1 88.11(7) .
O6 Rh2 Rh1 87.95(7) .
O8 Rh2 Rh1 88.24(7) .
O10 Rh2 Rh1 177.53(6) .
C1 O1 Rh1 119.0(2) .
C1 O2 Rh2 118.9(2) .
C6 O3 Rh1 118.9(2) .
C6 O4 Rh2 119.0(2) .
C11 O5 Rh1 119.0(2) .
C11 O6 Rh2 119.1(2) .
C16 O7 Rh1 118.9(2) .
C16 O8 Rh2 118.3(2) .
C23 O9 C20 106.2(4) .
C23 O9 Rh1 114.9(3) .
C20 O9 Rh1 116.3(3) .
C27 O10 C24 106.4(3) .
C27 O10 Rh2 117.9(2) .
C24 O10 Rh2 114.2(2) .
O1 C1 O2 125.8(3) .
O1 C1 C2 117.6(3) .
O2 C1 C2 116.6(3) .
C3A C2 C5A 108.9(9) .
C4B C2 C1 113.8(6) .
C3A C2 C1 112.5(6) .
C5A C2 C1 111.3(6) .
C4B C2 C5B 106.4(10) .
C1 C2 C5B 110.5(6) .
C4B C2 C3B 110.0(11) .
C1 C2 C3B 103.9(7) .
C5B C2 C3B 112.4(11) .
C3A C2 C4A 107.0(9) .
C5A C2 C4A 112.9(11) .
C1 C2 C4A 104.2(7) .
O3 C6 O4 125.8(3) .
O3 C6 C7 117.1(3) .
O4 C6 C7 117.0(3) .
C8 C7 C10 111.5(5) .
C8 C7 C9 108.7(5) .
C10 C7 C9 108.8(5) .
C8 C7 C6 111.3(4) .
C10 C7 C6 109.8(4) .
C9 C7 C6 106.6(4) .
C7 C8 H8A 109.5 .
C7 C8 H8B 109.5 .
H8A C8 H8B 109.5 .
C7 C8 H8C 109.5 .
H8A C8 H8C 109.5 .
H8B C8 H8C 109.5 .
C7 C9 H9A 109.5 .
C7 C9 H9B 109.5 .
H9A C9 H9B 109.5 .
C7 C9 H9C 109.5 .
H9A C9 H9C 109.5 .
H9B C9 H9C 109.5 .
C7 C10 H10A 109.5 .
C7 C10 H10B 109.5 .
H10A C10 H10B 109.5 .
C7 C10 H10C 109.5 .
H10A C10 H10C 109.5 .
H10B C10 H10C 109.5 .
O6 C11 O5 125.1(3) .
O6 C11 C12 117.9(3) .
O5 C11 C12 117.0(3) .
C13 C12 C14 110.3(4) .
C13 C12 C11 107.0(3) .
C14 C12 C11 110.0(3) .
C13 C12 C15 110.7(4) .
C14 C12 C15 107.5(4) .
C11 C12 C15 111.3(3) .
C12 C13 H13A 109.5 .
C12 C13 H13B 109.5 .
H13A C13 H13B 109.5 .
C12 C13 H13C 109.5 .
H13A C13 H13C 109.5 .
H13B C13 H13C 109.5 .
C12 C14 H14A 109.5 .
C12 C14 H14B 109.5 .
H14A C14 H14B 109.5 .
C12 C14 H14C 109.5 .
H14A C14 H14C 109.5 .
H14B C14 H14C 109.5 .
C12 C15 H15A 109.5 .
C12 C15 H15B 109.5 .
H15A C15 H15B 109.5 .
C12 C15 H15C 109.5 .
H15A C15 H15C 109.5 .
H15B C15 H15C 109.5 .
O7 C16 O8 126.2(3) .
O7 C16 C17 117.2(3) .
O8 C16 C17 116.6(3) .
C19 C17 C18 118.0(3) .
C19 C17 C16 121.5(3) .
C18 C17 C16 120.5(3) .
C19 C18 C17 120.8(4) 3_575
C19 C18 H18 119.6 3_575
C17 C18 H18 119.6 .
C18 C19 C17 121.2(4) 3_575
C18 C19 H19 119.4 3_575
C17 C19 H19 119.4 .
C21A C20 O9 105.9(13) .
O9 C20 C21B 107.5(10) .
C21A C20 H20A 110.5 .
O9 C20 H20A 110.5 .
C21A C20 H20B 110.5 .
O9 C20 H20B 110.5 .
H20A C20 H20B 108.7 .
O9 C20 H20C 110.2 .
C21B C20 H20C 110.2 .
O9 C20 H20D 110.2 .
C21B C20 H20D 110.2 .
H20C C20 H20D 108.5 .
C22A C23 O9 108.9(10) .
O9 C23 C22B 106.6(6) .
C22A C23 H23A 109.9 .
O9 C23 H23A 109.9 .
C22A C23 H23B 109.9 .
O9 C23 H23B 109.9 .
H23A C23 H23B 108.3 .
O9 C23 H23C 110.4 .
C22B C23 H23C 110.4 .
O9 C23 H23D 110.4 .
C22B C23 H23D 110.4 .
H23C C23 H23D 108.6 .
O10 C24 C25 107.5(4) .
O10 C24 H24A 110.2 .
C25 C24 H24A 110.2 .
O10 C24 H24B 110.2 .
C25 C24 H24B 110.2 .
H24A C24 H24B 108.5 .
C26B C25 C24 95.0(18) .
C24 C25 C26A 106.3(5) .
C24 C25 H25A 110.5 .
C26A C25 H25A 110.5 .
C24 C25 H25B 110.5 .
C26A C25 H25B 110.5 .
H25A C25 H25B 108.7 .
C26B C25 H25C 112.7 .
C24 C25 H25C 112.7 .
C26B C25 H25D 112.7 .
C24 C25 H25D 112.7 .
H25C C25 H25D 110.2 .
C27 C26A C25 102.4(6) .
C27 C26A H26A 111.3 .
C25 C26A H26A 111.3 .
C27 C26A H26B 111.3 .
C25 C26A H26B 111.3 .
H26A C26A H26B 109.2 .
C25 C26B C27 105(2) .
C25 C26B H26C 110.8 .
C27 C26B H26C 110.8 .
C25 C26B H26D 110.8 .
C27 C26B H26D 110.8 .
H26C C26B H26D 108.9 .
O10 C27 C26A 105.6(5) .
O10 C27 C26B 101.4(17) .
O10 C27 H27A 110.6 .
C26A C27 H27A 110.6 .
O10 C27 H27B 110.6 .
C26A C27 H27B 110.6 .
H27A C27 H27B 108.7 .
O10 C27 H27C 111.5 .
C26B C27 H27C 111.5 .
O10 C27 H27D 111.5 .
C26B C27 H27D 111.5 .
H27C C27 H27D 109.3 .
C2 C3A H3A 109.5 .
C2 C3A H3B 109.5 .
H3A C3A H3B 109.5 .
C2 C3A H3C 109.5 .
H3A C3A H3C 109.5 .
H3B C3A H3C 109.5 .
C2 C4A H4A 109.5 .
C2 C4A H4B 109.5 .
H4A C4A H4B 109.5 .
C2 C4A H4C 109.5 .
H4A C4A H4C 109.5 .
H4B C4A H4C 109.5 .
C2 C5A H5A 109.5 .
C2 C5A H5B 109.5 .
H5A C5A H5B 109.5 .
C2 C5A H5C 109.5 .
H5A C5A H5C 109.5 .
H5B C5A H5C 109.5 .
C2 C3B H3D 109.5 .
C2 C3B H3E 109.5 .
H3D C3B H3E 109.5 .
C2 C3B H3F 109.5 .
H3D C3B H3F 109.5 .
H3E C3B H3F 109.5 .
C2 C4B H4D 109.5 .
C2 C4B H4E 109.5 .
H4D C4B H4E 109.5 .
C2 C4B H4F 109.5 .
H4D C4B H4F 109.5 .
H4E C4B H4F 109.5 .
C2 C5B H5D 109.5 .
C2 C5B H5E 109.5 .
H5D C5B H5E 109.5 .
C2 C5B H5F 109.5 .
H5D C5B H5F 109.5 .
H5E C5B H5F 109.5 .
C20 C21A C22A 107.2(15) .
C20 C21A H21A 110.3 .
C22A C21A H21A 110.3 .
C20 C21A H21B 110.3 .
C22A C21A H21B 110.3 .
H21A C21A H21B 108.5 .
C23 C22A C21A 108.4(15) .
C23 C22A H22A 110.0 .
C21A C22A H22A 110.0 .
C23 C22A H22B 110.0 .
C21A C22A H22B 110.0 .
H22A C22A H22B 108.4 .
C22B C21B C20 107.6(13) .
C22B C21B H21C 110.2 .
C20 C21B H21C 110.2 .
C22B C21B H21D 110.2 .
C20 C21B H21D 110.2 .
H21C C21B H21D 108.5 .
C21B C22B C23 106.5(10) .
C21B C22B H22C 110.4 .
C23 C22B H22C 110.4 .
C21B C22B H22D 110.4 .
C23 C22B H22D 110.4 .
H22C C22B H22D 108.6 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 O5 2.022(2) .
Rh1 O3 2.030(2) .
Rh1 O7 2.032(2) .
Rh1 O1 2.044(2) .
Rh1 O9 2.324(3) .
Rh1 Rh2 2.3813(4) .
Rh2 O2 2.021(2) .
Rh2 O4 2.027(2) .
Rh2 O6 2.033(2) .
Rh2 O8 2.042(2) .
Rh2 O10 2.309(2) .
O1 C1 1.259(4) .
O2 C1 1.264(4) .
O3 C6 1.261(4) .
O4 C6 1.264(4) .
O5 C11 1.274(4) .
O6 C11 1.265(4) .
O7 C16 1.263(4) .
O8 C16 1.267(4) .
O9 C23 1.443(5) .
O9 C20 1.447(6) .
O10 C27 1.425(6) .
O10 C24 1.437(5) .
C1 C2 1.523(5) .
C2 C4B 1.451(14) .
C2 C3A 1.463(12) .
C2 C5A 1.512(15) .
C2 C5B 1.551(14) .
C2 C3B 1.571(17) .
C2 C4A 1.573(16) .
C6 C7 1.527(5) .
C7 C8 1.491(7) .
C7 C10 1.505(7) .
C7 C9 1.512(8) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 C12 1.526(5) .
C12 C13 1.501(6) .
C12 C14 1.518(6) .
C12 C15 1.529(6) .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 C17 1.487(5) .
C17 C19 1.384(5) .
C17 C18 1.394(5) .
C18 C19 1.377(6) 3_575
C18 H18 0.9500 .
C19 C18 1.377(6) 3_575
C19 H19 0.9500 .
C20 C21A 1.43(3) .
C20 C21B 1.45(2) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C20 H20C 0.9900 .
C20 H20D 0.9900 .
C23 C22A 1.328(16) .
C23 C22B 1.496(12) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C23 H23C 0.9900 .
C23 H23D 0.9900 .
C24 C25 1.467(7) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 C26B 1.44(3) .
C25 C26A 1.516(11) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C25 H25C 0.9900 .
C25 H25D 0.9900 .
C26A C27 1.496(10) .
C26A H26A 0.9900 .
C26A H26B 0.9900 .
C26B C27 1.52(4) .
C26B H26C 0.9900 .
C26B H26D 0.9900 .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C27 H27C 0.9900 .
C27 H27D 0.9900 .
C3A H3A 0.9800 .
C3A H3B 0.9800 .
C3A H3C 0.9800 .
C4A H4A 0.9800 .
C4A H4B 0.9800 .
C4A H4C 0.9800 .
C5A H5A 0.9800 .
C5A H5B 0.9800 .
C5A H5C 0.9800 .
C3B H3D 0.9800 .
C3B H3E 0.9800 .
C3B H3F 0.9800 .
C4B H4D 0.9800 .
C4B H4E 0.9800 .
C4B H4F 0.9800 .
C5B H5D 0.9800 .
C5B H5E 0.9800 .
C5B H5F 0.9800 .
C21A C22A 1.45(3) .
C21A H21A 0.9900 .
C21A H21B 0.9900 .
C22A H22A 0.9900 .
C22A H22B 0.9900 .
C21B C22B 1.45(3) .
C21B H21C 0.9900 .
C21B H21D 0.9900 .
C22B H22C 0.9900 .
C22B H22D 0.9900 .
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_4
Rh1 O1 C1 O2 0.5(5) .
Rh1 O1 C1 C2 -179.5(3) .
Rh2 O2 C1 O1 1.8(5) .
Rh2 O2 C1 C2 -178.1(3) .
O1 C1 C2 C4B 32.5(13) .
O2 C1 C2 C4B -147.6(12) .
O1 C1 C2 C3A -41.6(10) .
O2 C1 C2 C3A 138.3(9) .
O1 C1 C2 C5A -164.1(12) .
O2 C1 C2 C5A 15.9(12) .
O1 C1 C2 C5B 152.1(9) .
O2 C1 C2 C5B -28.0(10) .
O1 C1 C2 C3B -87.1(14) .
O2 C1 C2 C3B 92.8(14) .
O1 C1 C2 C4A 74.0(11) .
O2 C1 C2 C4A -106.1(10) .
Rh1 O3 C6 O4 0.3(5) .
Rh1 O3 C6 C7 178.5(3) .
Rh2 O4 C6 O3 2.0(5) .
Rh2 O4 C6 C7 -176.2(3) .
O3 C6 C7 C8 21.5(6) .
O4 C6 C7 C8 -160.1(5) .
O3 C6 C7 C10 145.5(5) .
O4 C6 C7 C10 -36.2(6) .
O3 C6 C7 C9 -96.8(5) .
O4 C6 C7 C9 81.6(5) .
Rh2 O6 C11 O5 8.4(5) .
Rh2 O6 C11 C12 -169.7(2) .
Rh1 O5 C11 O6 -6.4(5) .
Rh1 O5 C11 C12 171.7(2) .
O6 C11 C12 C13 70.2(5) .
O5 C11 C12 C13 -108.1(4) .
O6 C11 C12 C14 -49.7(5) .
O5 C11 C12 C14 132.1(4) .
O6 C11 C12 C15 -168.7(4) .
O5 C11 C12 C15 13.1(5) .
Rh1 O7 C16 O8 5.8(5) .
Rh1 O7 C16 C17 -173.7(2) .
Rh2 O8 C16 O7 -2.8(5) .
Rh2 O8 C16 C17 176.7(2) .
O7 C16 C17 C19 176.7(3) .
O8 C16 C17 C19 -2.8(5) .
O7 C16 C17 C18 -3.4(5) .
O8 C16 C17 C18 177.1(3) .
C19 C17 C18 C19 -0.3(7) 3_575
C16 C17 C18 C19 179.8(4) 3_575
C18 C17 C19 C18 0.3(7) 3_575
C16 C17 C19 C18 -179.8(4) 3_575
C23 O9 C20 C21A 10.8(15) .
Rh1 O9 C20 C21A -118.4(14) .
C23 O9 C20 C21B -24.4(14) .
Rh1 O9 C20 C21B -153.6(14) .
C20 O9 C23 C22A -18.5(16) .
Rh1 O9 C23 C22A 111.5(15) .
C20 O9 C23 C22B 21.4(9) .
Rh1 O9 C23 C22B 151.4(8) .
C27 O10 C24 C25 -23.2(6) .
Rh2 O10 C24 C25 -155.1(4) .
O10 C24 C25 C26B 44(3) .
O10 C24 C25 C26A 2.7(9) .
C24 C25 C26A C27 17.4(11) .
C24 C25 C26B C27 -48(4) .
C24 O10 C27 C26A 34.7(8) .
Rh2 O10 C27 C26A 164.5(7) .
C24 O10 C27 C26B -8(3) .
Rh2 O10 C27 C26B 122(3) .
C25 C26A C27 O10 -31.7(11) .
C25 C26B C27 O10 37(5) .
O9 C20 C21A C22A 0(2) .
O9 C23 C22A C21A 18(2) .
C20 C21A C22A C23 -11(2) .
O9 C20 C21B C22B 17.7(19) .
C20 C21B C22B C23 -4.2(19) .
O9 C23 C22B C21B -10.7(14) .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139173579
