#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:58:55 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179272 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/92/4319295.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_4319295
loop_
_publ_author_name
'Maarten B. Dinger'
'Michael J. Scott'
_publ_contact_author_address
;
P.O. Box 117200
University of Florida
Gainesville FL, 32611
;
_publ_contact_author_name        'Maarten B. Dinger and Michael J. Scott'
_publ_section_title
;
 Sterically Crowded, Rigid,C3 Symmetric Phosphites: Synthesis, Structure,
 and Preparation of Metal Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              856
_journal_page_last               864
_journal_paper_doi               10.1021/ic000683j
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C52 H62 O6 P Rh'
_chemical_formula_weight         916.90
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.8820(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.0013(9)
_cell_length_b                   11.7064(6)
_cell_length_c                   21.7780(11)
_cell_measurement_temperature    173(2)
_cell_volume                     4545.9(4)
_computing_cell_refinement       'Bruker AXS SMART'
_computing_data_collection       'Bruker AXS SMART'
_computing_data_reduction        'Bruker AXS SMART'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0432
_diffrn_reflns_av_sigmaI/netI    0.0415
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            30488
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.89
_exptl_absorpt_coefficient_mu    0.460
_exptl_absorpt_correction_T_max  0.946526
_exptl_absorpt_correction_T_min  0.703611
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.340
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'triangular shard'
_exptl_crystal_F_000             1928
_refine_diff_density_max         0.693
_refine_diff_density_min         -0.586
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     549
_refine_ls_number_reflns         10440
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0548
_refine_ls_R_factor_gt           0.0379
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0485P)²+2.5385P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0913
_refine_ls_wR_factor_ref         0.1027
_reflns_number_gt                8206
_reflns_number_total             10440
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic000683j_6.cif
_cod_data_source_block           6f
_cod_database_code               4319295
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.292695(11) 0.064591(16) 0.013257(8) 0.02628(7) Uani 1 1 d . . .
P1 P 0.27127(3) -0.11199(5) 0.04073(3) 0.02350(13) Uani 1 1 d . . .
O1 O 0.32731(9) -0.17227(13) 0.09440(7) 0.0243(3) Uani 1 1 d . . .
C1 C 0.21470(14) -0.3659(2) 0.07561(11) 0.0279(5) Uani 1 1 d . . .
H1A H 0.1986 -0.4430 0.0854 0.033 Uiso 1 1 calc R . .
O2 O 0.19137(9) -0.11898(14) 0.06476(7) 0.0281(4) Uani 1 1 d . . .
C2 C 0.30035(14) -0.3756(2) 0.08845(10) 0.0269(5) Uani 1 1 d . . .
O3 O 0.26749(9) -0.20386(14) -0.01432(7) 0.0265(3) Uani 1 1 d . . .
C3 C 0.35166(13) -0.28676(19) 0.09670(10) 0.0250(5) Uani 1 1 d . . .
O4 O 0.44343(11) 0.09576(16) 0.08456(9) 0.0416(5) Uani 1 1 d . . .
C4 C 0.43007(14) -0.3057(2) 0.10921(11) 0.0287(5) Uani 1 1 d . . .
O5 O 0.18714(11) 0.06843(15) -0.03433(9) 0.0358(4) Uani 1 1 d . . .
C5 C 0.48791(14) -0.2085(2) 0.11448(12) 0.0334(6) Uani 1 1 d . . .
O6 O 0.30978(10) 0.23077(14) -0.01352(8) 0.0323(4) Uani 1 1 d . . .
C6 C 0.48658(16) -0.1557(2) 0.04938(13) 0.0413(6) Uani 1 1 d . . .
H6A H 0.4370 -0.1284 0.0348 0.062 Uiso 1 1 calc R . .
H6B H 0.5005 -0.2127 0.0214 0.062 Uiso 1 1 calc R . .
H6C H 0.5214 -0.0933 0.0515 0.062 Uiso 1 1 calc R . .
C7 C 0.47418(15) -0.1195(2) 0.16347(12) 0.0352(6) Uani 1 1 d . . .
H7A H 0.4856 -0.1524 0.2041 0.053 Uiso 1 1 calc R . .
H7B H 0.4226 -0.0962 0.1569 0.053 Uiso 1 1 calc R . .
H7C H 0.5057 -0.0543 0.1601 0.053 Uiso 1 1 calc R . .
C8 C 0.56805(17) -0.2527(3) 0.13365(19) 0.0590(9) Uani 1 1 d . . .
H8A H 0.5706 -0.2928 0.1723 0.088 Uiso 1 1 calc R . .
H8B H 0.6023 -0.1895 0.1383 0.088 Uiso 1 1 calc R . .
H8C H 0.5814 -0.3036 0.1024 0.088 Uiso 1 1 calc R . .
C9 C 0.45316(16) -0.4191(2) 0.11302(13) 0.0362(6) Uani 1 1 d . . .
H9A H 0.5042 -0.4344 0.1220 0.043 Uiso 1 1 calc R . .
C10 C 0.40394(16) -0.5105(2) 0.10413(12) 0.0373(6) Uani 1 1 d . . .
C11 C 0.4324(2) -0.6326(3) 0.10734(17) 0.0575(9) Uani 1 1 d . . .
H11A H 0.3932 -0.6828 0.1165 0.086 Uiso 1 1 calc R . .
H11B H 0.4745 -0.6388 0.1393 0.086 Uiso 1 1 calc R . .
H11C H 0.4474 -0.6535 0.0682 0.086 Uiso 1 1 calc R . .
C12 C 0.32812(15) -0.4878(2) 0.09262(11) 0.0331(6) Uani 1 1 d . . .
H12A H 0.2945 -0.5485 0.0875 0.040 Uiso 1 1 calc R . .
C13 C 0.17802(13) -0.2928(2) 0.12055(11) 0.0290(5) Uani 1 1 d . . .
C14 C 0.17029(13) -0.1751(2) 0.11672(11) 0.0280(5) Uani 1 1 d . . .
C15 C 0.13783(14) -0.1106(2) 0.16086(12) 0.0328(5) Uani 1 1 d . . .
C16 C 0.13492(15) 0.0202(2) 0.16111(13) 0.0366(6) Uani 1 1 d . . .
C17 C 0.09163(16) 0.0689(2) 0.10090(15) 0.0433(7) Uani 1 1 d . . .
H17A H 0.0407 0.0396 0.0953 0.052 Uiso 1 1 calc R . .
H17B H 0.1156 0.0447 0.0658 0.052 Uiso 1 1 calc R . .
C18 C 0.0963(2) 0.0640(3) 0.21624(16) 0.0571(9) Uani 1 1 d . . .
H18A H 0.0453 0.0354 0.2121 0.069 Uiso 1 1 calc R . .
H18B H 0.1230 0.0350 0.2548 0.069 Uiso 1 1 calc R . .
C19 C 0.21473(15) 0.0715(2) 0.17019(13) 0.0363(6) Uani 1 1 d . . .
H19A H 0.2419 0.0437 0.2088 0.044 Uiso 1 1 calc R . .
H19B H 0.2412 0.0464 0.1367 0.044 Uiso 1 1 calc R . .
C20 C 0.21270(19) 0.2029(3) 0.17139(14) 0.0486(7) Uani 1 1 d . . .
H20A H 0.2640 0.2327 0.1762 0.058 Uiso 1 1 calc R . .
C21 C 0.1740(3) 0.2423(3) 0.22578(17) 0.0704(11) Uani 1 1 d . . .
H21A H 0.2017 0.2155 0.2645 0.084 Uiso 1 1 calc R . .
H21B H 0.1723 0.3251 0.2269 0.084 Uiso 1 1 calc R . .
C22 C 0.0954(3) 0.1946(3) 0.21797(18) 0.0724(12) Uani 1 1 d . . .
H22A H 0.0705 0.2195 0.2530 0.087 Uiso 1 1 calc R . .
C23 C 0.0517(2) 0.2390(3) 0.1586(2) 0.0732(12) Uani 1 1 d . . .
H23A H 0.0497 0.3218 0.1598 0.088 Uiso 1 1 calc R . .
H23B H 0.0008 0.2101 0.1542 0.088 Uiso 1 1 calc R . .
C24 C 0.08998(18) 0.2004(3) 0.10358(16) 0.0522(8) Uani 1 1 d . . .
H24A H 0.0620 0.2300 0.0651 0.063 Uiso 1 1 calc R . .
C25 C 0.16971(18) 0.2462(3) 0.11075(15) 0.0473(7) Uani 1 1 d . . .
H25A H 0.1689 0.3291 0.1108 0.057 Uiso 1 1 calc R . .
H25B H 0.1944 0.2210 0.0762 0.057 Uiso 1 1 calc R . .
C26 C 0.10890(15) -0.1741(3) 0.20650(13) 0.0394(6) Uani 1 1 d . . .
H26A H 0.0858 -0.1348 0.2358 0.047 Uiso 1 1 calc R . .
C27 C 0.11266(15) -0.2928(3) 0.21068(12) 0.0387(6) Uani 1 1 d . . .
C28 C 0.07806(19) -0.3569(3) 0.26000(14) 0.0511(8) Uani 1 1 d . . .
H28A H 0.0718 -0.4357 0.2483 0.077 Uiso 1 1 calc R . .
H28B H 0.0301 -0.3243 0.2641 0.077 Uiso 1 1 calc R . .
H28C H 0.1103 -0.3513 0.2988 0.077 Uiso 1 1 calc R . .
C29 C 0.14887(15) -0.3503(2) 0.16815(12) 0.0350(6) Uani 1 1 d . . .
H29A H 0.1540 -0.4292 0.1712 0.042 Uiso 1 1 calc R . .
C30 C 0.18290(14) -0.3542(2) 0.00703(11) 0.0279(5) Uani 1 1 d . . .
C31 C 0.21239(13) -0.2843(2) -0.03551(11) 0.0257(5) Uani 1 1 d . . .
C32 C 0.19236(13) -0.2959(2) -0.10000(11) 0.0266(5) Uani 1 1 d . . .
C33 C 0.23392(14) -0.2342(2) -0.14707(11) 0.0273(5) Uani 1 1 d . . .
C34 C 0.31856(14) -0.2629(2) -0.13488(11) 0.0341(6) Uani 1 1 d . . .
H34A H 0.3385 -0.2409 -0.0929 0.041 Uiso 1 1 calc R . .
H34B H 0.3254 -0.3447 -0.1388 0.041 Uiso 1 1 calc R . .
C35 C 0.22340(17) -0.1039(2) -0.14421(12) 0.0370(6) Uani 1 1 d . . .
H35A H 0.1705 -0.0856 -0.1536 0.044 Uiso 1 1 calc R . .
H35B H 0.2410 -0.0770 -0.1026 0.044 Uiso 1 1 calc R . .
C36 C 0.20547(15) -0.2712(2) -0.21435(11) 0.0311(5) Uani 1 1 d . . .
H36A H 0.2110 -0.3533 -0.2180 0.037 Uiso 1 1 calc R . .
H36B H 0.1526 -0.2530 -0.2240 0.037 Uiso 1 1 calc R . .
C37 C 0.24882(16) -0.2116(2) -0.26096(12) 0.0385(6) Uani 1 1 d . . .
H37A H 0.2295 -0.2375 -0.3029 0.046 Uiso 1 1 calc R . .
C38 C 0.2376(2) -0.0827(2) -0.25677(13) 0.0478(8) Uani 1 1 d . . .
H38A H 0.1848 -0.0642 -0.2668 0.057 Uiso 1 1 calc R . .
H38B H 0.2648 -0.0439 -0.2861 0.057 Uiso 1 1 calc R . .
C39 C 0.2666(2) -0.0434(2) -0.19042(13) 0.0480(8) Uani 1 1 d . . .
H39A H 0.2598 0.0394 -0.1873 0.058 Uiso 1 1 calc R . .
C40 C 0.3498(2) -0.0721(3) -0.17574(14) 0.0561(9) Uani 1 1 d . . .
H40A H 0.3775 -0.0323 -0.2044 0.067 Uiso 1 1 calc R . .
H40B H 0.3687 -0.0468 -0.1341 0.067 Uiso 1 1 calc R . .
C41 C 0.36149(16) -0.2001(3) -0.18094(13) 0.0476(8) Uani 1 1 d . . .
H41A H 0.4151 -0.2176 -0.1716 0.057 Uiso 1 1 calc R . .
C42 C 0.33202(17) -0.2398(3) -0.24723(13) 0.0477(7) Uani 1 1 d . . .
H42A H 0.3592 -0.2014 -0.2767 0.057 Uiso 1 1 calc R . .
H42B H 0.3395 -0.3214 -0.2509 0.057 Uiso 1 1 calc R . .
C43 C 0.13444(14) -0.3733(2) -0.11929(12) 0.0305(5) Uani 1 1 d . . .
H43A H 0.1189 -0.3820 -0.1616 0.037 Uiso 1 1 calc R . .
C44 C 0.09897(14) -0.4379(2) -0.07791(13) 0.0335(5) Uani 1 1 d . . .
C45 C 0.03573(16) -0.5193(3) -0.10073(14) 0.0454(7) Uani 1 1 d . . .
H45A H 0.0383 -0.5849 -0.0741 0.068 Uiso 1 1 calc R . .
H45B H 0.0403 -0.5430 -0.1422 0.068 Uiso 1 1 calc R . .
H45C H -0.0115 -0.4814 -0.1003 0.068 Uiso 1 1 calc R . .
C46 C 0.12535(13) -0.4292(2) -0.01546(12) 0.0307(5) Uani 1 1 d . . .
H46A H 0.1041 -0.4748 0.0124 0.037 Uiso 1 1 calc R . .
C47 C 0.38583(15) 0.0749(2) 0.05774(12) 0.0305(5) Uani 1 1 d . . .
C48 C 0.07791(19) 0.1331(3) -0.09525(19) 0.0642(10) Uani 1 1 d . . .
H48A H 0.0754 0.0626 -0.1179 0.096 Uiso 1 1 calc R . .
H48B H 0.0623 0.1948 -0.1231 0.096 Uiso 1 1 calc R . .
H48C H 0.0455 0.1290 -0.0638 0.096 Uiso 1 1 calc R . .
C49 C 0.15746(16) 0.1535(2) -0.06524(13) 0.0405(6) Uani 1 1 d . . .
C50 C 0.19073(16) 0.2585(2) -0.07290(13) 0.0398(6) Uani 1 1 d . . .
H50A H 0.1620 0.3121 -0.0971 0.048 Uiso 1 1 calc R . .
C51 C 0.26306(15) 0.2917(2) -0.04790(11) 0.0326(5) Uani 1 1 d . . .
C52 C 0.28899(17) 0.4105(2) -0.06176(13) 0.0372(6) Uani 1 1 d . . .
H52A H 0.3361 0.4260 -0.0367 0.056 Uiso 1 1 calc R . .
H52B H 0.2524 0.4652 -0.0526 0.056 Uiso 1 1 calc R . .
H52C H 0.2950 0.4157 -0.1048 0.056 Uiso 1 1 calc R . .
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'
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'
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
C47 Rh1 O5 174.69(9) . . ?
C47 Rh1 O6 85.75(9) . . ?
O5 Rh1 O6 90.01(7) . . ?
C47 Rh1 P1 95.78(7) . . ?
O5 Rh1 P1 88.45(5) . . ?
O6 Rh1 P1 178.44(5) . . ?
O2 P1 O1 104.11(9) . . ?
O2 P1 O3 105.21(9) . . ?
O1 P1 O3 102.01(9) . . ?
O2 P1 Rh1 109.64(7) . . ?
O1 P1 Rh1 119.77(6) . . ?
O3 P1 Rh1 114.67(6) . . ?
C3 O1 P1 127.41(14) . . ?
C13 C1 C30 116.2(2) . . ?
C13 C1 C2 116.1(2) . . ?
C30 C1 C2 114.64(19) . . ?
C14 O2 P1 129.94(15) . . ?
C3 C2 C12 117.9(2) . . ?
C3 C2 C1 127.1(2) . . ?
C12 C2 C1 114.9(2) . . ?
C31 O3 P1 130.75(15) . . ?
C2 C3 O1 120.7(2) . . ?
C2 C3 C4 122.4(2) . . ?
O1 C3 C4 116.9(2) . . ?
C9 C4 C3 116.2(2) . . ?
C9 C4 C5 120.6(2) . . ?
C3 C4 C5 123.1(2) . . ?
C49 O5 Rh1 125.38(18) . . ?
C7 C5 C8 105.9(2) . . ?
C7 C5 C4 112.5(2) . . ?
C8 C5 C4 111.9(2) . . ?
C7 C5 C6 112.5(2) . . ?
C8 C5 C6 106.3(2) . . ?
C4 C5 C6 107.6(2) . . ?
C51 O6 Rh1 125.78(17) . . ?
C10 C9 C4 123.3(3) . . ?
C12 C10 C9 118.3(2) . . ?
C12 C10 C11 120.6(3) . . ?
C9 C10 C11 121.1(3) . . ?
C10 C12 C2 121.8(2) . . ?
C14 C13 C29 118.6(2) . . ?
C14 C13 C1 124.8(2) . . ?
C29 C13 C1 116.6(2) . . ?
C13 C14 O2 118.5(2) . . ?
C13 C14 C15 122.6(2) . . ?
O2 C14 C15 118.7(2) . . ?
C26 C15 C14 115.4(2) . . ?
C26 C15 C16 120.9(2) . . ?
C14 C15 C16 123.7(2) . . ?
C15 C16 C17 112.4(2) . . ?
C15 C16 C19 110.9(2) . . ?
C17 C16 C19 108.6(2) . . ?
C15 C16 C18 110.6(2) . . ?
C17 C16 C18 108.0(2) . . ?
C19 C16 C18 106.2(3) . . ?
C16 C17 C24 110.3(3) . . ?
C22 C18 C16 110.8(3) . . ?
C20 C19 C16 111.5(2) . . ?
C25 C20 C21 109.9(3) . . ?
C25 C20 C19 109.2(2) . . ?
C21 C20 C19 109.3(3) . . ?
C22 C21 C20 108.8(3) . . ?
C21 C22 C23 109.8(3) . . ?
C21 C22 C18 111.1(3) . . ?
C23 C22 C18 109.2(4) . . ?
C22 C23 C24 109.4(3) . . ?
C25 C24 C23 109.6(3) . . ?
C25 C24 C17 109.5(2) . . ?
C23 C24 C17 109.8(3) . . ?
C24 C25 C20 109.4(3) . . ?
C27 C26 C15 123.9(3) . . ?
C29 C27 C26 117.8(2) . . ?
C29 C27 C28 120.9(3) . . ?
C26 C27 C28 121.3(3) . . ?
C27 C29 C13 121.6(3) . . ?
C31 C30 C46 117.9(2) . . ?
C31 C30 C1 125.1(2) . . ?
C46 C30 C1 116.5(2) . . ?
C30 C31 O3 119.5(2) . . ?
C30 C31 C32 122.5(2) . . ?
O3 C31 C32 117.8(2) . . ?
C43 C32 C31 116.1(2) . . ?
C43 C32 C33 121.1(2) . . ?
C31 C32 C33 122.7(2) . . ?
C32 C33 C35 111.5(2) . . ?
C32 C33 C36 111.93(19) . . ?
C35 C33 C36 106.83(19) . . ?
C32 C33 C34 110.04(19) . . ?
C35 C33 C34 109.4(2) . . ?
C36 C33 C34 107.0(2) . . ?
C41 C34 C33 110.8(2) . . ?
C39 C35 C33 110.9(2) . . ?
C37 C36 C33 111.6(2) . . ?
C42 C37 C38 109.7(3) . . ?
C42 C37 C36 110.4(2) . . ?
C38 C37 C36 109.1(2) . . ?
C37 C38 C39 108.7(2) . . ?
C40 C39 C35 109.5(2) . . ?
C40 C39 C38 109.2(3) . . ?
C35 C39 C38 110.0(2) . . ?
C41 C40 C39 110.1(2) . . ?
C40 C41 C34 109.7(3) . . ?
C40 C41 C42 109.5(3) . . ?
C34 C41 C42 109.2(2) . . ?
C37 C42 C41 108.8(2) . . ?
C44 C43 C32 123.0(2) . . ?
C46 C44 C43 118.0(2) . . ?
C46 C44 C45 120.7(2) . . ?
C43 C44 C45 121.2(2) . . ?
C44 C46 C30 122.1(2) . . ?
O4 C47 Rh1 171.5(2) . . ?
O5 C49 C50 126.7(3) . . ?
O5 C49 C48 114.1(3) . . ?
C50 C49 C48 119.2(3) . . ?
C49 C50 C51 126.5(3) . . ?
O6 C51 C50 125.6(2) . . ?
O6 C51 C52 116.0(2) . . ?
C50 C51 C52 118.4(2) . . ?
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 C47 1.822(3) . ?
Rh1 O5 2.0364(19) . ?
Rh1 O6 2.0660(17) . ?
Rh1 P1 2.2007(6) . ?
P1 O2 1.5987(17) . ?
P1 O1 1.5996(17) . ?
P1 O3 1.6051(16) . ?
O1 C3 1.409(3) . ?
C1 C13 1.517(3) . ?
C1 C30 1.530(3) . ?
C1 C2 1.533(3) . ?
O2 C14 1.405(3) . ?
C2 C3 1.386(3) . ?
C2 C12 1.404(3) . ?
O3 C31 1.399(3) . ?
C3 C4 1.418(3) . ?
O4 C47 1.144(3) . ?
C4 C9 1.391(3) . ?
C4 C5 1.536(3) . ?
O5 C49 1.277(3) . ?
C5 C7 1.535(4) . ?
C5 C8 1.536(4) . ?
C5 C6 1.544(4) . ?
O6 C51 1.266(3) . ?
C9 C10 1.386(4) . ?
C10 C12 1.379(4) . ?
C10 C11 1.516(4) . ?
C13 C14 1.386(4) . ?
C13 C29 1.397(3) . ?
C14 C15 1.411(4) . ?
C15 C26 1.398(4) . ?
C15 C16 1.532(4) . ?
C16 C17 1.540(4) . ?
C16 C19 1.544(4) . ?
C16 C18 1.554(4) . ?
C17 C24 1.541(4) . ?
C18 C22 1.530(5) . ?
C19 C20 1.539(4) . ?
C20 C25 1.523(4) . ?
C20 C21 1.526(5) . ?
C21 C22 1.508(6) . ?
C22 C23 1.510(5) . ?
C23 C24 1.530(5) . ?
C24 C25 1.520(4) . ?
C26 C27 1.394(4) . ?
C27 C29 1.378(4) . ?
C27 C28 1.512(4) . ?
C30 C31 1.394(3) . ?
C30 C46 1.395(3) . ?
C31 C32 1.408(3) . ?
C32 C43 1.402(3) . ?
C32 C33 1.531(3) . ?
C33 C35 1.539(3) . ?
C33 C36 1.546(3) . ?
C33 C34 1.547(3) . ?
C34 C41 1.535(4) . ?
C35 C39 1.528(4) . ?
C36 C37 1.531(4) . ?
C37 C42 1.523(4) . ?
C37 C38 1.526(4) . ?
C38 C39 1.538(4) . ?
C39 C40 1.525(5) . ?
C40 C41 1.520(5) . ?
C41 C42 1.540(4) . ?
C43 C44 1.396(4) . ?
C44 C46 1.381(4) . ?
C44 C45 1.514(4) . ?
C48 C49 1.509(4) . ?
C49 C50 1.387(4) . ?
C50 C51 1.396(4) . ?
C51 C52 1.510(4) . ?
