#------------------------------------------------------------------------------
#$Date: 2017-09-04 03:10:26 +0300 (Mon, 04 Sep 2017) $
#$Revision: 200147 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/41/4514173.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_4514173
loop_
_publ_author_name
'Chen, Po-An'
'Setthakarn, Krit'
'May, Jeremy A.'
_publ_section_title
;
 A Binaphthyl-Based Scaffold for a Chiral Dirhodium(II) Biscarboxylate
 Ligand with α-Quaternary Carbon Centers
;
_journal_issue                   9
_journal_name_full               'ACS Catalysis'
_journal_page_first              6155
_journal_paper_doi               10.1021/acscatal.7b01388
_journal_volume                  7
_journal_year                    2017
_chemical_formula_sum            'C55.5 H71 O10.5 Rh2'
_chemical_formula_weight         1111.94
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 103.0700(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.2948(6)
_cell_length_b                   17.0253(7)
_cell_length_c                   20.3610(8)
_cell_measurement_reflns_used    9789
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      68.35
_cell_measurement_theta_min      3.42
_cell_volume                     5502.3(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXT-2014 (Sheldrick 2014)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'narrow frame φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0262
_diffrn_reflns_av_unetI/netI     0.0245
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            35792
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.408
_diffrn_reflns_theta_min         3.148
_exptl_absorpt_coefficient_mu    5.294
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.6285
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.342
_exptl_crystal_description       POLYHEDRON
_exptl_crystal_F_000             2312
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.700
_refine_diff_density_min         -0.503
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     673
_refine_ls_number_reflns         10062
_refine_ls_number_restraints     694
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0271
_refine_ls_R_factor_gt           0.0259
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0262P)²+4.0581P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0648
_refine_ls_wR_factor_ref         0.0655
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9598
_reflns_number_total             10062
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            cs7b01388_si_002.cif
_cod_data_source_block           cu_XW47_0m_a
_cod_original_formula_sum        'C55.50 H71 O10.50 Rh2'
_cod_database_code               4514173
_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.
;
_shelx_estimated_absorpt_t_min   0.569
_shelx_estimated_absorpt_t_max   0.778
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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 0.36001(2) 0.66399(2) 0.76393(2) 0.02580(5) Uani 1 1 d . U . . .
Rh2 Rh 0.32950(2) 0.79449(2) 0.72377(2) 0.02579(5) Uani 1 1 d . U . . .
O1 O 0.23967(9) 0.63483(9) 0.71816(7) 0.0316(3) Uani 1 1 d . U . . .
O2 O 0.21271(9) 0.75554(9) 0.67358(7) 0.0315(3) Uani 1 1 d . U . . .
O3 O 0.32712(9) 0.69698(9) 0.85083(7) 0.0308(3) Uani 1 1 d . U . . .
O4 O 0.28798(9) 0.81718(9) 0.80899(7) 0.0324(3) Uani 1 1 d . U . . .
O5 O 0.39507(9) 0.63962(9) 0.67553(7) 0.0336(3) Uani 1 1 d . U . . .
O6 O 0.37559(10) 0.76538(9) 0.64179(7) 0.0353(3) Uani 1 1 d . U . . .
O7 O 0.47741(9) 0.69956(9) 0.80914(8) 0.0330(3) Uani 1 1 d . U . . .
O8 O 0.44820(9) 0.82481(9) 0.77628(8) 0.0327(3) Uani 1 1 d . U . . .
O9 O 0.30080(10) 0.92192(9) 0.69021(8) 0.0373(3) Uani 1 1 d D U . . .
C1 C 0.19321(13) 0.68441(13) 0.68046(10) 0.0287(4) Uani 1 1 d . U . . .
C2 C 0.10970(13) 0.65287(13) 0.63888(11) 0.0322(5) Uani 1 1 d . U . . .
C3 C 0.13252(16) 0.59769(15) 0.58583(12) 0.0428(6) Uani 1 1 d . U . . .
H3A H 0.0808 0.5764 0.5571 0.064 Uiso 1 1 calc R U . . .
H3B H 0.1675 0.5545 0.6086 0.064 Uiso 1 1 calc R U . . .
H3C H 0.1638 0.6271 0.5580 0.064 Uiso 1 1 calc R U . . .
C4 C 0.05245(14) 0.71851(14) 0.60389(12) 0.0382(5) Uani 1 1 d . U . . .
H4A H 0.0810 0.7475 0.5739 0.057 Uiso 1 1 calc R U . . .
H4B H 0.0395 0.7544 0.6378 0.057 Uiso 1 1 calc R U . . .
H4C H 0.0000 0.6958 0.5775 0.057 Uiso 1 1 calc R U . . .
C5 C 0.06671(14) 0.60336(14) 0.68474(11) 0.0345(5) Uani 1 1 d . U . . .
H5A H 0.0168 0.5771 0.6565 0.041 Uiso 1 1 calc R U . . .
H5B H 0.1063 0.5619 0.7064 0.041 Uiso 1 1 calc R U . . .
C6 C 0.03881(15) 0.65061(14) 0.73958(12) 0.0390(5) Uani 1 1 d . U . . .
H6A H 0.0841 0.6883 0.7590 0.047 Uiso 1 1 calc R U . . .
H6B H -0.0117 0.6815 0.7183 0.047 Uiso 1 1 calc R U . . .
C7 C 0.01831(14) 0.60249(15) 0.79666(11) 0.0383(5) Uani 1 1 d . U . . .
C8 C 0.02323(16) 0.52114(16) 0.79808(13) 0.0457(6) Uani 1 1 d . U . . .
H8 H 0.0397 0.4944 0.7622 0.055 Uiso 1 1 calc R U . . .
C9 C 0.00468(18) 0.47773(19) 0.85056(14) 0.0559(7) Uani 1 1 d . U . . .
H9 H 0.0090 0.4221 0.8508 0.067 Uiso 1 1 calc R U . . .
C10 C -0.0200(2) 0.51641(19) 0.90234(14) 0.0603(8) Uani 1 1 d . U . . .
H10 H -0.0322 0.4874 0.9388 0.072 Uiso 1 1 calc R U . . .
C11 C -0.02707(17) 0.59696(18) 0.90140(13) 0.0525(7) Uani 1 1 d . U . . .
H11 H -0.0454 0.6227 0.9370 0.063 Uiso 1 1 calc R U . . .
C12 C -0.00794(14) 0.64178(16) 0.84943(12) 0.0405(5) Uani 1 1 d . U . . .
C13 C -0.02241(15) 0.72835(16) 0.85016(11) 0.0411(5) Uani 1 1 d . U . . .
C14 C -0.10493(16) 0.75493(19) 0.82929(13) 0.0503(6) Uani 1 1 d . U . . .
H14 H -0.1484 0.7180 0.8126 0.060 Uiso 1 1 calc R U . . .
C15 C -0.12559(17) 0.8333(2) 0.83207(14) 0.0554(7) Uani 1 1 d . U . . .
H15 H -0.1823 0.8502 0.8168 0.066 Uiso 1 1 calc R U . . .
C16 C -0.06276(17) 0.88701(19) 0.85725(14) 0.0530(7) Uani 1 1 d . U . . .
H16 H -0.0762 0.9410 0.8603 0.064 Uiso 1 1 calc R U . . .
C17 C 0.02020(16) 0.86165(17) 0.87812(14) 0.0471(6) Uani 1 1 d . U . . .
H17 H 0.0630 0.8989 0.8957 0.057 Uiso 1 1 calc R U . . .
C18 C 0.04205(15) 0.78307(15) 0.87391(12) 0.0395(5) Uani 1 1 d . U . . .
C19 C 0.13295(15) 0.75536(15) 0.89564(13) 0.0422(5) Uani 1 1 d . U . . .
H19A H 0.1474 0.7260 0.8578 0.051 Uiso 1 1 calc R U . . .
H19B H 0.1373 0.7183 0.9338 0.051 Uiso 1 1 calc R U . . .
C20 C 0.19803(14) 0.82060(15) 0.91704(12) 0.0396(5) Uani 1 1 d . U . . .
H20A H 0.1913 0.8426 0.9605 0.048 Uiso 1 1 calc R U . . .
H20B H 0.1862 0.8632 0.8831 0.048 Uiso 1 1 calc R U . . .
C21 C 0.31430(17) 0.73010(16) 0.97821(12) 0.0450(6) Uani 1 1 d . U . . .
H21A H 0.2803 0.6831 0.9638 0.068 Uiso 1 1 calc R U . . .
H21B H 0.3040 0.7488 1.0211 0.068 Uiso 1 1 calc R U . . .
H21C H 0.3741 0.7173 0.9839 0.068 Uiso 1 1 calc R U . . .
C22 C 0.34702(15) 0.86627(15) 0.94548(13) 0.0441(6) Uani 1 1 d . U . . .
H22A H 0.4059 0.8514 0.9489 0.066 Uiso 1 1 calc R U . . .
H22B H 0.3402 0.8859 0.9892 0.066 Uiso 1 1 calc R U . . .
H22C H 0.3311 0.9075 0.9114 0.066 Uiso 1 1 calc R U . . .
C23 C 0.29013(14) 0.79405(14) 0.92497(11) 0.0342(5) Uani 1 1 d . U . . .
C24 C 0.30231(12) 0.76643(13) 0.85598(10) 0.0289(4) Uani 1 1 d . U . . .
C25 C 0.49573(13) 0.77111(14) 0.80766(10) 0.0304(4) Uani 1 1 d . U . . .
C26 C 0.58324(14) 0.79354(15) 0.84902(12) 0.0379(5) Uani 1 1 d . U . . .
C27 C 0.58159(17) 0.7845(2) 0.92370(13) 0.0574(8) Uani 1 1 d . U . . .
H27A H 0.5457 0.8254 0.9363 0.086 Uiso 1 1 calc R U . . .
H27B H 0.6389 0.7897 0.9514 0.086 Uiso 1 1 calc R U . . .
H27C H 0.5591 0.7327 0.9311 0.086 Uiso 1 1 calc R U . . .
C28 C 0.60646(16) 0.87688(17) 0.83459(16) 0.0558(7) Uani 1 1 d . U . . .
H28A H 0.6078 0.8817 0.7869 0.084 Uiso 1 1 calc R U . . .
H28B H 0.6621 0.8896 0.8626 0.084 Uiso 1 1 calc R U . . .
H28C H 0.5645 0.9133 0.8449 0.084 Uiso 1 1 calc R U . . .
C29 C 0.64734(14) 0.73354(16) 0.83315(12) 0.0407(5) Uani 1 1 d . U . . .
H29A H 0.7048 0.7493 0.8570 0.049 Uiso 1 1 calc R U . . .
H29B H 0.6356 0.6812 0.8502 0.049 Uiso 1 1 calc R U . . .
C30 C 0.6438(2) 0.7277(2) 0.75823(14) 0.0612(8) Uani 1 1 d . U . . .
H30A H 0.5854 0.7143 0.7349 0.073 Uiso 1 1 calc R U . . .
H30B H 0.6564 0.7802 0.7421 0.073 Uiso 1 1 calc R U . . .
C31 C 0.70262(15) 0.66877(16) 0.73701(13) 0.0430(6) Uani 1 1 d . U . . .
C32 C 0.72499(17) 0.59848(17) 0.77181(15) 0.0520(6) Uani 1 1 d . U . . .
H32 H 0.7014 0.5863 0.8092 0.062 Uiso 1 1 calc R U . . .
C33 C 0.78060(19) 0.54609(19) 0.75323(17) 0.0606(7) Uani 1 1 d . U . . .
H33 H 0.7945 0.4983 0.7773 0.073 Uiso 1 1 calc R U . . .
C34 C 0.8157(2) 0.56396(19) 0.69947(17) 0.0641(8) Uani 1 1 d . U . . .
H34 H 0.8551 0.5290 0.6872 0.077 Uiso 1 1 calc R U . . .
C35 C 0.79370(18) 0.63236(19) 0.66346(15) 0.0551(7) Uani 1 1 d . U . . .
H35 H 0.8175 0.6437 0.6260 0.066 Uiso 1 1 calc R U . . .
C36 C 0.73674(14) 0.68532(16) 0.68135(13) 0.0420(5) Uani 1 1 d . U . . .
C37 C 0.71714(14) 0.75907(16) 0.64114(11) 0.0395(5) Uani 1 1 d . U . . .
C38 C 0.77856(17) 0.81694(17) 0.64799(13) 0.0476(6) Uani 1 1 d . U . . .
H38 H 0.8312 0.8092 0.6787 0.057 Uiso 1 1 calc R U . . .
C39 C 0.76450(19) 0.88605(18) 0.61071(15) 0.0550(7) Uani 1 1 d . U . . .
H39 H 0.8069 0.9253 0.6161 0.066 Uiso 1 1 calc R U . . .
C40 C 0.68866(19) 0.89677(18) 0.56602(15) 0.0562(7) Uani 1 1 d . U . . .
H40 H 0.6786 0.9434 0.5398 0.067 Uiso 1 1 calc R U . . .
C41 C 0.62646(18) 0.83956(17) 0.55898(14) 0.0503(6) Uani 1 1 d . U . . .
H41 H 0.5742 0.8480 0.5279 0.060 Uiso 1 1 calc R U . . .
C42 C 0.63861(15) 0.77024(16) 0.59625(12) 0.0424(5) Uani 1 1 d . U . . .
C43 C 0.57156(15) 0.70696(16) 0.58862(13) 0.0442(6) Uani 1 1 d . U . . .
H43A H 0.5684 0.6893 0.6343 0.053 Uiso 1 1 calc R U . . .
H43B H 0.5905 0.6615 0.5655 0.053 Uiso 1 1 calc R U . . .
C44 C 0.48303(15) 0.72872(16) 0.55047(12) 0.0432(6) Uani 1 1 d . U . . .
H44A H 0.4812 0.7278 0.5015 0.052 Uiso 1 1 calc R U . . .
H44B H 0.4710 0.7832 0.5625 0.052 Uiso 1 1 calc R U . . .
C45 C 0.41315(15) 0.67443(16) 0.56442(11) 0.0402(5) Uani 1 1 d . U . . .
C46 C 0.43591(19) 0.58742(17) 0.56055(14) 0.0538(7) Uani 1 1 d . U . . .
H46A H 0.4494 0.5767 0.5169 0.081 Uiso 1 1 calc R U . . .
H46B H 0.3880 0.5549 0.5654 0.081 Uiso 1 1 calc R U . . .
H46C H 0.4849 0.5751 0.5969 0.081 Uiso 1 1 calc R U . . .
C47 C 0.33177(18) 0.6913(2) 0.51111(13) 0.0560(7) Uani 1 1 d . U . . .
H47A H 0.3398 0.6769 0.4664 0.084 Uiso 1 1 calc R U . . .
H47B H 0.3183 0.7474 0.5117 0.084 Uiso 1 1 calc R U . . .
H47C H 0.2854 0.6605 0.5213 0.084 Uiso 1 1 calc R U . . .
C48 C 0.39422(13) 0.69468(14) 0.63306(11) 0.0323(5) Uani 1 1 d . U . . .
C49 C 0.27757(15) 0.95180(15) 0.63500(12) 0.0410(5) Uani 1 1 d D U . . .
C50 C 0.2553(3) 0.90298(19) 0.57244(15) 0.0737(10) Uani 1 1 d D U . . .
H50A H 0.2140 0.9311 0.5380 0.111 Uiso 1 1 calc R U . . .
H50B H 0.2312 0.8530 0.5827 0.111 Uiso 1 1 calc R U . . .
H50C H 0.3061 0.8929 0.5556 0.111 Uiso 1 1 calc R U . . .
C51 C 0.27127(18) 1.03903(15) 0.62734(14) 0.0486(6) Uani 1 1 d D U . . .
H51A H 0.3119 1.0574 0.6018 0.073 Uiso 1 1 calc R U . . .
H51B H 0.2837 1.0636 0.6720 0.073 Uiso 1 1 calc R U . . .
H51C H 0.2141 1.0533 0.6032 0.073 Uiso 1 1 calc R U . . .
O10 O 0.3801(5) 0.5332(5) 0.7956(6) 0.0375(16) Uani 0.5 1 d D U P A 1
C52 C 0.4352(4) 0.4887(3) 0.7881(3) 0.0403(13) Uani 0.5 1 d D U P A 1
C53 C 0.4226(9) 0.4018(5) 0.7936(9) 0.062(3) Uani 0.5 1 d D U P A 1
H53A H 0.3627 0.3892 0.7777 0.093 Uiso 0.5 1 calc R U P A 1
H53B H 0.4417 0.3855 0.8407 0.093 Uiso 0.5 1 calc R U P A 1
H53C H 0.4553 0.3740 0.7659 0.093 Uiso 0.5 1 calc R U P A 1
C54 C 0.5160(3) 0.5160(3) 0.7746(3) 0.0515(13) Uani 0.5 1 d D U P A 1
H54A H 0.5145 0.5106 0.7265 0.077 Uiso 0.5 1 calc R U P A 1
H54B H 0.5622 0.4842 0.8007 0.077 Uiso 0.5 1 calc R U P A 1
H54C H 0.5249 0.5713 0.7878 0.077 Uiso 0.5 1 calc R U P A 1
O10B O 0.4013(6) 0.5437(6) 0.8077(6) 0.046(2) Uani 0.5 1 d D U P A 2
C52B C 0.3915(5) 0.4824(4) 0.7773(4) 0.0567(16) Uani 0.5 1 d D U P A 2
C53B C 0.4370(12) 0.4096(8) 0.8069(11) 0.107(6) Uani 0.5 1 d D U P A 2
H53D H 0.3990 0.3767 0.8261 0.161 Uiso 0.5 1 calc R U P A 2
H53E H 0.4860 0.4243 0.8425 0.161 Uiso 0.5 1 calc R U P A 2
H53F H 0.4559 0.3804 0.7716 0.161 Uiso 0.5 1 calc R U P A 2
C55 C 0.3318(4) 0.4736(4) 0.7102(3) 0.0661(16) Uani 0.5 1 d D U P A 2
H55A H 0.3630 0.4776 0.6744 0.099 Uiso 0.5 1 calc R U P A 2
H55B H 0.2892 0.5152 0.7044 0.099 Uiso 0.5 1 calc R U P A 2
H55C H 0.3041 0.4222 0.7077 0.099 Uiso 0.5 1 calc R U P A 2
O11 O 0.4177(7) 0.5085(8) 1.0498(6) 0.224(5) Uani 0.5 1 d D U P . .
C56 C 0.4741(6) 0.5039(6) 1.0214(5) 0.116(3) Uani 0.5 1 d D U P . .
C57 C 0.4874(5) 0.5706(4) 0.9792(4) 0.164(3) Uani 1 1 d D U . . .
H57A H 0.4329 0.5891 0.9529 0.246 Uiso 1 1 calc R U . . .
H57B H 0.5225 0.5538 0.9485 0.246 Uiso 1 1 calc R U . . .
H57C H 0.5157 0.6132 1.0080 0.246 Uiso 1 1 calc R U . . .
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'
Rh Rh 0.0927 3.6045 '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
O7 Rh1 O1 176.67(6) . .
O7 Rh1 O3 85.97(6) . .
O1 Rh1 O3 92.83(6) . .
O7 Rh1 O5 92.15(6) . .
O1 Rh1 O5 88.83(6) . .
O3 Rh1 O5 175.65(6) . .
O7 Rh1 O10B 85.7(2) . .
O1 Rh1 O10B 97.4(2) . .
O3 Rh1 O10B 91.2(3) . .
O5 Rh1 O10B 92.6(3) . .
O7 Rh1 O10 95.8(2) . .
O1 Rh1 O10 87.4(2) . .
O3 Rh1 O10 94.1(3) . .
O5 Rh1 O10 90.0(3) . .
O7 Rh1 Rh2 88.83(4) . .
O1 Rh1 Rh2 88.03(4) . .
O3 Rh1 Rh2 88.03(4) . .
O5 Rh1 Rh2 88.01(4) . .
O10B Rh1 Rh2 174.5(2) . .
O10 Rh1 Rh2 175.0(2) . .
O4 Rh2 O6 176.07(6) . .
O4 Rh2 O8 87.93(6) . .
O6 Rh2 O8 90.54(6) . .
O4 Rh2 O2 92.08(6) . .
O6 Rh2 O2 89.17(6) . .
O8 Rh2 O2 175.67(6) . .
O4 Rh2 O9 89.42(6) . .
O6 Rh2 O9 94.24(6) . .
O8 Rh2 O9 91.25(6) . .
O2 Rh2 O9 93.07(6) . .
O4 Rh2 Rh1 88.18(4) . .
O6 Rh2 Rh1 88.14(4) . .
O8 Rh2 Rh1 87.53(4) . .
O2 Rh2 Rh1 88.15(4) . .
O9 Rh2 Rh1 177.34(4) . .
C1 O1 Rh1 119.75(13) . .
C1 O2 Rh2 118.69(13) . .
C24 O3 Rh1 118.82(13) . .
C24 O4 Rh2 118.19(13) . .
C48 O5 Rh1 119.00(14) . .
C48 O6 Rh2 119.40(14) . .
C25 O7 Rh1 119.05(13) . .
C25 O8 Rh2 118.38(14) . .
C49 O9 Rh2 132.30(16) . .
O2 C1 O1 124.87(19) . .
O2 C1 C2 119.23(19) . .
O1 C1 C2 115.84(19) . .
C4 C2 C1 112.04(19) . .
C4 C2 C5 111.74(19) . .
C1 C2 C5 109.07(17) . .
C4 C2 C3 109.80(19) . .
C1 C2 C3 106.07(18) . .
C5 C2 C3 107.87(19) . .
C2 C3 H3A 109.5 . .
C2 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C2 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C2 C4 H4A 109.5 . .
C2 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C2 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C6 C5 C2 114.01(19) . .
C6 C5 H5A 108.8 . .
C2 C5 H5A 108.8 . .
C6 C5 H5B 108.8 . .
C2 C5 H5B 108.8 . .
H5A C5 H5B 107.6 . .
C7 C6 C5 115.4(2) . .
C7 C6 H6A 108.4 . .
C5 C6 H6A 108.4 . .
C7 C6 H6B 108.4 . .
C5 C6 H6B 108.4 . .
H6A C6 H6B 107.5 . .
C8 C7 C12 118.9(2) . .
C8 C7 C6 122.2(2) . .
C12 C7 C6 118.9(2) . .
C7 C8 C9 121.7(3) . .
C7 C8 H8 119.1 . .
C9 C8 H8 119.1 . .
C10 C9 C8 119.1(3) . .
C10 C9 H9 120.4 . .
C8 C9 H9 120.4 . .
C11 C10 C9 120.2(3) . .
C11 C10 H10 119.9 . .
C9 C10 H10 119.9 . .
C10 C11 C12 121.5(3) . .
C10 C11 H11 119.2 . .
C12 C11 H11 119.2 . .
C11 C12 C7 118.4(3) . .
C11 C12 C13 118.0(2) . .
C7 C12 C13 123.4(2) . .
C14 C13 C18 119.0(3) . .
C14 C13 C12 117.5(2) . .
C18 C13 C12 123.4(2) . .
C15 C14 C13 122.0(3) . .
C15 C14 H14 119.0 . .
C13 C14 H14 119.0 . .
C14 C15 C16 119.2(3) . .
C14 C15 H15 120.4 . .
C16 C15 H15 120.4 . .
C15 C16 C17 119.7(3) . .
C15 C16 H16 120.1 . .
C17 C16 H16 120.1 . .
C16 C17 C18 121.6(3) . .
C16 C17 H17 119.2 . .
C18 C17 H17 119.2 . .
C17 C18 C13 118.5(2) . .
C17 C18 C19 121.7(2) . .
C13 C18 C19 119.8(2) . .
C18 C19 C20 115.1(2) . .
C18 C19 H19A 108.5 . .
C20 C19 H19A 108.5 . .
C18 C19 H19B 108.5 . .
C20 C19 H19B 108.5 . .
H19A C19 H19B 107.5 . .
C19 C20 C23 114.4(2) . .
C19 C20 H20A 108.7 . .
C23 C20 H20A 108.7 . .
C19 C20 H20B 108.7 . .
C23 C20 H20B 108.7 . .
H20A C20 H20B 107.6 . .
C23 C21 H21A 109.5 . .
C23 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C23 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C23 C22 H22A 109.5 . .
C23 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C23 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C21 C23 C24 111.45(19) . .
C21 C23 C22 109.6(2) . .
C24 C23 C22 107.34(18) . .
C21 C23 C20 111.91(19) . .
C24 C23 C20 108.56(18) . .
C22 C23 C20 107.9(2) . .
O3 C24 O4 125.62(19) . .
O3 C24 C23 118.23(19) . .
O4 C24 C23 116.13(19) . .
O7 C25 O8 126.0(2) . .
O7 C25 C26 115.17(19) . .
O8 C25 C26 118.8(2) . .
C28 C26 C25 111.7(2) . .
C28 C26 C27 110.3(2) . .
C25 C26 C27 107.28(19) . .
C28 C26 C29 111.6(2) . .
C25 C26 C29 108.01(19) . .
C27 C26 C29 107.7(2) . .
C26 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C26 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C26 C28 H28A 109.5 . .
C26 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C26 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C30 C29 C26 112.3(2) . .
C30 C29 H29A 109.1 . .
C26 C29 H29A 109.1 . .
C30 C29 H29B 109.1 . .
C26 C29 H29B 109.1 . .
H29A C29 H29B 107.9 . .
C31 C30 C29 116.6(2) . .
C31 C30 H30A 108.2 . .
C29 C30 H30A 108.2 . .
C31 C30 H30B 108.2 . .
C29 C30 H30B 108.2 . .
H30A C30 H30B 107.3 . .
C32 C31 C36 118.5(2) . .
C32 C31 C30 122.1(2) . .
C36 C31 C30 119.3(2) . .
C33 C32 C31 121.7(3) . .
C33 C32 H32 119.1 . .
C31 C32 H32 119.1 . .
C34 C33 C32 119.3(3) . .
C34 C33 H33 120.3 . .
C32 C33 H33 120.3 . .
C33 C34 C35 120.3(3) . .
C33 C34 H34 119.9 . .
C35 C34 H34 119.9 . .
C34 C35 C36 120.9(3) . .
C34 C35 H35 119.6 . .
C36 C35 H35 119.6 . .
C31 C36 C35 119.3(3) . .
C31 C36 C37 122.6(2) . .
C35 C36 C37 118.1(2) . .
C38 C37 C42 119.9(3) . .
C38 C37 C36 118.8(2) . .
C42 C37 C36 121.3(2) . .
C37 C38 C39 121.3(3) . .
C37 C38 H38 119.4 . .
C39 C38 H38 119.4 . .
C40 C39 C38 119.2(3) . .
C40 C39 H39 120.4 . .
C38 C39 H39 120.4 . .
C39 C40 C41 120.1(3) . .
C39 C40 H40 119.9 . .
C41 C40 H40 119.9 . .
C40 C41 C42 121.8(3) . .
C40 C41 H41 119.1 . .
C42 C41 H41 119.1 . .
C41 C42 C37 117.7(3) . .
C41 C42 C43 122.4(2) . .
C37 C42 C43 119.9(2) . .
C42 C43 C44 117.2(2) . .
C42 C43 H43A 108.0 . .
C44 C43 H43A 108.0 . .
C42 C43 H43B 108.0 . .
C44 C43 H43B 108.0 . .
H43A C43 H43B 107.2 . .
C43 C44 C45 114.5(2) . .
C43 C44 H44A 108.6 . .
C45 C44 H44A 108.6 . .
C43 C44 H44B 108.6 . .
C45 C44 H44B 108.6 . .
H44A C44 H44B 107.6 . .
C46 C45 C48 111.4(2) . .
C46 C45 C47 108.9(2) . .
C48 C45 C47 106.33(19) . .
C46 C45 C44 111.9(2) . .
C48 C45 C44 110.0(2) . .
C47 C45 C44 108.2(2) . .
C45 C46 H46A 109.5 . .
C45 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
C45 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
C45 C47 H47A 109.5 . .
C45 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
C45 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
O6 C48 O5 124.9(2) . .
O6 C48 C45 116.5(2) . .
O5 C48 C45 118.6(2) . .
O9 C49 C51 120.9(2) . .
O9 C49 C50 121.4(2) . .
C51 C49 C50 117.8(2) . .
C49 C50 H50A 109.5 . .
C49 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
C49 C50 H50C 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
C49 C51 H51A 109.5 . .
C49 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
C49 C51 H51C 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
C52 O10 Rh1 128.8(8) . .
O10 C52 C54 122.9(7) . .
O10 C52 C53 119.3(8) . .
C54 C52 C53 117.7(6) . .
C52 C53 H53A 109.5 . .
C52 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
C52 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
C52 C54 H54A 109.5 . .
C52 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
C52 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
C52B O10B Rh1 125.8(9) . .
O10B C52B C55 122.7(8) . .
O10B C52B C53B 120.8(11) . .
C55 C52B C53B 116.5(10) . .
C52B C53B H53D 109.5 . .
C52B C53B H53E 109.5 . .
H53D C53B H53E 109.5 . .
C52B C53B H53F 109.5 . .
H53D C53B H53F 109.5 . .
H53E C53B H53F 109.5 . .
C52B C55 H55A 109.5 . .
C52B C55 H55B 109.5 . .
H55A C55 H55B 109.5 . .
C52B C55 H55C 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
O11 C56 C57 117.0(12) . 3_667
O11 C56 C57 117.7(9) . .
C57 C56 C57 124.2(8) 3_667 .
C56 C57 H57A 109.5 . .
C56 C57 H57B 109.5 . .
H57A C57 H57B 109.5 . .
C56 C57 H57C 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 O7 2.0193(15) .
Rh1 O1 2.0330(14) .
Rh1 O3 2.0401(14) .
Rh1 O5 2.0503(14) .
Rh1 O10B 2.274(11) .
Rh1 O10 2.321(10) .
Rh1 Rh2 2.3807(2) .
Rh2 O4 2.0368(14) .
Rh2 O6 2.0404(15) .
Rh2 O8 2.0532(15) .
Rh2 O2 2.0557(14) .
Rh2 O9 2.2909(15) .
O1 C1 1.270(3) .
O2 C1 1.268(3) .
O3 C24 1.262(3) .
O4 C24 1.271(3) .
O5 C48 1.273(3) .
O6 C48 1.264(3) .
O7 C25 1.256(3) .
O8 C25 1.273(3) .
O9 C49 1.214(3) .
C1 C2 1.528(3) .
C2 C4 1.525(3) .
C2 C5 1.539(3) .
C2 C3 1.539(3) .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 C6 1.526(3) .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C6 C7 1.520(3) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 C8 1.387(4) .
C7 C12 1.411(3) .
C8 C9 1.388(4) .
C8 H8 0.9500 .
C9 C10 1.378(4) .
C9 H9 0.9500 .
C10 C11 1.376(4) .
C10 H10 0.9500 .
C11 C12 1.396(3) .
C11 H11 0.9500 .
C12 C13 1.493(4) .
C13 C14 1.391(4) .
C13 C18 1.406(3) .
C14 C15 1.381(4) .
C14 H14 0.9500 .
C15 C16 1.381(4) .
C15 H15 0.9500 .
C16 C17 1.391(4) .
C16 H16 0.9500 .
C17 C18 1.392(4) .
C17 H17 0.9500 .
C18 C19 1.522(3) .
C19 C20 1.529(3) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 C23 1.540(3) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 C23 1.524(3) .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 C23 1.540(3) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 C24 1.536(3) .
C25 C26 1.531(3) .
C26 C28 1.514(4) .
C26 C27 1.535(3) .
C26 C29 1.546(3) .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 C30 1.517(4) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 C31 1.517(3) .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 C32 1.397(4) .
C31 C36 1.399(4) .
C32 C33 1.384(4) .
C32 H32 0.9500 .
C33 C34 1.378(5) .
C33 H33 0.9500 .
C34 C35 1.380(4) .
C34 H34 0.9500 .
C35 C36 1.400(4) .
C35 H35 0.9500 .
C36 C37 1.494(4) .
C37 C38 1.389(4) .
C37 C42 1.407(3) .
C38 C39 1.391(4) .
C38 H38 0.9500 .
C39 C40 1.371(4) .
C39 H39 0.9500 .
C40 C41 1.390(4) .
C40 H40 0.9500 .
C41 C42 1.393(4) .
C41 H41 0.9500 .
C42 C43 1.517(4) .
C43 C44 1.522(3) .
C43 H43A 0.9900 .
C43 H43B 0.9900 .
C44 C45 1.542(3) .
C44 H44A 0.9900 .
C44 H44B 0.9900 .
C45 C46 1.533(4) .
C45 C48 1.537(3) .
C45 C47 1.539(3) .
C46 H46A 0.9800 .
C46 H46B 0.9800 .
C46 H46C 0.9800 .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C47 H47C 0.9800 .
C49 C51 1.494(3) .
C49 C50 1.495(4) .
C50 H50A 0.9800 .
C50 H50B 0.9800 .
C50 H50C 0.9800 .
C51 H51A 0.9800 .
C51 H51B 0.9800 .
C51 H51C 0.9800 .
O10 C52 1.211(9) .
C52 C54 1.479(7) .
C52 C53 1.501(10) .
C53 H53A 0.9800 .
C53 H53B 0.9800 .
C53 H53C 0.9800 .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
O10B C52B 1.205(9) .
C52B C55 1.495(9) .
C52B C53B 1.499(11) .
C53B H53D 0.9800 .
C53B H53E 0.9800 .
C53B H53F 0.9800 .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C55 H55C 0.9800 .
O11 C56 1.194(10) .
C56 C57 1.416(9) 3_667
C56 C57 1.469(10) .
C57 H57A 0.9800 .
C57 H57B 0.9800 .
C57 H57C 0.9800 .
