#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:37:51 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178574 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/84/4068423.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_4068423
loop_
_publ_author_name
'Rubio, Miguel'
'Suárez, Andrés'
'del Río, Diego'
'Galindo, Agustín'
'Álvarez, Eleuterio'
'Pizzano, Antonio'
_publ_section_title
;
 Rhodium Complexes with Pincer Diphosphite Ligands. Unusual Olefin
 in-Plane Coordination in Square-Planar Compounds†
;
_journal_issue                   2
_journal_name_full               Organometallics
_journal_page_first              547
_journal_paper_doi               10.1021/om800830w
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         'C80 H99 Cl O6 P3 Rh, C6 H14'
_chemical_formula_sum            'C86 H113 Cl O6 P3 Rh'
_chemical_formula_weight         1474.03
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                110.784(3)
_cell_angle_beta                 96.741(3)
_cell_angle_gamma                97.170(3)
_cell_formula_units_Z            2
_cell_length_a                   13.4989(8)
_cell_length_b                   16.7201(9)
_cell_length_c                   19.3595(11)
_cell_measurement_reflns_used    6876
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.14
_cell_measurement_theta_min      2.78
_cell_volume                     3991.2(4)
_computing_cell_refinement       'SAINT+ v. 6.04 (Bruker-AXS, 2001)'
_computing_data_collection       'SMART v. 5.625 (Bruker-AXS, 2001)'
_computing_data_reduction        'SAINT+ v. 6.04 (Bruker-AXS, 2001)'
_computing_molecular_graphics    'xp program, SHELXTL v. 6.10, BRUKER, 2000'
_computing_publication_material  'XCIF program, SHELXTL v.6.10, Bruker 2000'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.26
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker-Nonius X8Apex II CCD area detector'
_diffrn_measurement_method       'phi and omega scans with narrow frames'
_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  0.0818
_diffrn_reflns_av_sigmaI/netI    0.1429
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            49365
_diffrn_reflns_theta_full        30.75
_diffrn_reflns_theta_max         30.75
_diffrn_reflns_theta_min         1.85
_diffrn_standards_decay_%        'no decay'
_exptl_absorpt_coefficient_mu    0.358
_exptl_absorpt_correction_T_max  0.9583
_exptl_absorpt_correction_T_min  0.9318
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 SADABS v. 2.03: Area-Detector Absorption Correction.
 (1997-2001) Bruker-AXS within SAINT+ package, v. 6.04
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.227
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1568
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.241
_refine_diff_density_min         -1.686
_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     874
_refine_ls_number_reflns         23415
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.1368
_refine_ls_R_factor_gt           0.0693
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0919P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1608
_refine_ls_wR_factor_ref         0.1943
_reflns_number_gt                13976
_reflns_number_total             23415
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800830w_si_003.cif
_cod_data_source_block           4a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4068423
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Rh1 Rh 0.55146(2) 0.343657(19) 0.194934(15) 0.01295(8) Uani 1 1 d D
H1 H 0.6374 0.4215 0.2509 0.016 Uiso 1 1 d RD
Cl1 Cl 0.40339(8) 0.23230(6) 0.11878(5) 0.0210(2) Uani 1 1 d .
P1 P 0.59457(8) 0.39535(6) 0.10675(5) 0.0140(2) Uani 1 1 d .
P2 P 0.48472(8) 0.34923(6) 0.29883(5) 0.0139(2) Uani 1 1 d .
P3 P 0.65863(8) 0.23715(6) 0.18222(5) 0.0159(2) Uani 1 1 d .
O1 O 0.7136(2) 0.42661(16) 0.11498(13) 0.0145(5) Uani 1 1 d .
O2 O 0.5532(2) 0.35156(18) 0.01846(14) 0.0194(6) Uani 1 1 d .
O3 O 0.5464(2) 0.48238(17) 0.11974(14) 0.0168(6) Uani 1 1 d .
O4 O 0.5395(2) 0.40282(16) 0.38491(13) 0.0149(5) Uani 1 1 d .
O5 O 0.4294(2) 0.26051(16) 0.29903(13) 0.0148(5) Uani 1 1 d .
O6 O 0.3967(2) 0.40709(17) 0.30338(14) 0.0166(6) Uani 1 1 d .
C1 C 0.7559(3) 0.4806(2) 0.0804(2) 0.0147(7) Uani 1 1 d .
C2 C 0.7456(3) 0.4467(2) 0.0017(2) 0.0151(7) Uani 1 1 d .
C3 C 0.6925(3) 0.3576(2) -0.04893(19) 0.0150(7) Uani 1 1 d .
C4 C 0.5968(3) 0.3180(2) -0.0449(2) 0.0157(8) Uani 1 1 d .
C5 C 0.5371(3) 0.2482(2) -0.10610(19) 0.0149(7) Uani 1 1 d .
C6 C 0.5855(3) 0.2104(2) -0.1665(2) 0.0172(8) Uani 1 1 d .
H6 H 0.5478 0.1617 -0.2079 0.021 Uiso 1 1 d R
C7 C 0.6853(3) 0.2395(2) -0.1698(2) 0.0173(8) Uani 1 1 d .
C8 C 0.7363(3) 0.3149(2) -0.1112(2) 0.0178(8) Uani 1 1 d .
H8 H 0.8032 0.3384 -0.1133 0.021 Uiso 1 1 d R
C9 C 0.7911(3) 0.4991(2) -0.0316(2) 0.0166(8) Uani 1 1 d .
H9 H 0.7824 0.4783 -0.0848 0.020 Uiso 1 1 d R
C10 C 0.8489(3) 0.5809(3) 0.0097(2) 0.0188(8) Uani 1 1 d .
C11 C 0.8572(3) 0.6102(2) 0.0875(2) 0.0183(8) Uani 1 1 d .
H11 H 0.8960 0.6662 0.1165 0.022 Uiso 1 1 d R
C12 C 0.8126(3) 0.5632(2) 0.1253(2) 0.0154(7) Uani 1 1 d .
C13 C 0.4260(3) 0.2112(2) -0.1090(2) 0.0174(8) Uani 1 1 d .
C14 C 0.3656(3) 0.2785(3) -0.0651(2) 0.0295(11) Uani 1 1 d .
H14A H 0.2929 0.2542 -0.0796 0.044 Uiso 1 1 d R
H14B H 0.3791 0.3309 -0.0765 0.044 Uiso 1 1 d R
H14C H 0.3864 0.2933 -0.0111 0.044 Uiso 1 1 d R
C15 C 0.4238(4) 0.1378(3) -0.0799(3) 0.0297(10) Uani 1 1 d .
H15A H 0.4535 0.0911 -0.1128 0.045 Uiso 1 1 d R
H15B H 0.3535 0.1151 -0.0792 0.045 Uiso 1 1 d R
H15C H 0.4630 0.1598 -0.0289 0.045 Uiso 1 1 d R
C16 C 0.3688(3) 0.1734(3) -0.1907(2) 0.0280(10) Uani 1 1 d .
H16A H 0.4009 0.1268 -0.2211 0.042 Uiso 1 1 d R
H16B H 0.3712 0.2195 -0.2110 0.042 Uiso 1 1 d R
H16C H 0.2980 0.1500 -0.1920 0.042 Uiso 1 1 d R
C17 C 0.7360(3) 0.1903(3) -0.2350(2) 0.0217(9) Uani 1 1 d .
C18 C 0.7606(5) 0.1085(3) -0.2257(3) 0.0489(16) Uani 1 1 d .
H18A H 0.7821 0.0717 -0.2712 0.073 Uiso 1 1 d R
H18B H 0.7000 0.0769 -0.2172 0.073 Uiso 1 1 d R
H18C H 0.8152 0.1239 -0.1826 0.073 Uiso 1 1 d R
C19 C 0.8307(4) 0.2444(3) -0.2411(3) 0.0345(11) Uani 1 1 d .
H19A H 0.8809 0.2610 -0.1953 0.052 Uiso 1 1 d R
H19B H 0.8137 0.2968 -0.2477 0.052 Uiso 1 1 d R
H19C H 0.8589 0.2103 -0.2844 0.052 Uiso 1 1 d R
C20 C 0.6622(4) 0.1618(3) -0.3104(3) 0.0390(13) Uani 1 1 d .
H20A H 0.6421 0.2132 -0.3172 0.058 Uiso 1 1 d R
H20B H 0.6019 0.1228 -0.3100 0.058 Uiso 1 1 d R
H20C H 0.6959 0.1313 -0.3517 0.058 Uiso 1 1 d R
C21 C 0.9005(3) 0.6332(3) -0.0307(2) 0.0213(8) Uani 1 1 d .
C22 C 0.9728(4) 0.5798(3) -0.0756(3) 0.0362(12) Uani 1 1 d .
H22A H 1.0095 0.6138 -0.0998 0.054 Uiso 1 1 d R
H22B H 0.9336 0.5258 -0.1140 0.054 Uiso 1 1 d R
H22C H 1.0213 0.5660 -0.0416 0.054 Uiso 1 1 d R
C23 C 0.9616(4) 0.7208(3) 0.0225(3) 0.0413(13) Uani 1 1 d .
H23A H 0.9168 0.7560 0.0514 0.062 Uiso 1 1 d R
H23B H 0.9933 0.7510 -0.0066 0.062 Uiso 1 1 d R
H23C H 1.0144 0.7117 0.0570 0.062 Uiso 1 1 d R
C24 C 0.8199(4) 0.6494(3) -0.0851(3) 0.0305(10) Uani 1 1 d .
H24A H 0.7703 0.6788 -0.0574 0.046 Uiso 1 1 d R
H24B H 0.7855 0.5937 -0.1239 0.046 Uiso 1 1 d R
H24C H 0.8529 0.6859 -0.1088 0.046 Uiso 1 1 d R
C25 C 0.8281(3) 0.5997(3) 0.2118(2) 0.0202(8) Uani 1 1 d .
C26 C 0.8847(3) 0.5410(3) 0.2411(2) 0.0247(9) Uani 1 1 d .
H26A H 0.8442 0.4823 0.2222 0.037 Uiso 1 1 d R
H26B H 0.8962 0.5646 0.2961 0.037 Uiso 1 1 d R
H26C H 0.9501 0.5386 0.2238 0.037 Uiso 1 1 d R
C27 C 0.7264(3) 0.6066(3) 0.2404(2) 0.0213(9) Uani 1 1 d .
H27A H 0.6841 0.6321 0.2121 0.032 Uiso 1 1 d R
H27B H 0.7391 0.6438 0.2938 0.032 Uiso 1 1 d R
H27C H 0.6914 0.5486 0.2334 0.032 Uiso 1 1 d R
C28 C 0.8906(4) 0.6919(3) 0.2454(2) 0.0284(10) Uani 1 1 d .
H28A H 0.9566 0.6915 0.2290 0.043 Uiso 1 1 d R
H28B H 0.9008 0.7125 0.3003 0.043 Uiso 1 1 d R
H28C H 0.8544 0.7307 0.2285 0.043 Uiso 1 1 d R
C29 C 0.4718(3) 0.4423(2) 0.2110(2) 0.0149(7) Uani 1 1 d .
C30 C 0.4815(3) 0.4983(2) 0.1722(2) 0.0161(8) Uani 1 1 d .
C31 C 0.4314(3) 0.5674(2) 0.1836(2) 0.0199(8) Uani 1 1 d .
H31 H 0.4405 0.6044 0.1563 0.024 Uiso 1 1 d R
C32 C 0.3673(3) 0.5816(3) 0.2361(2) 0.0246(9) Uani 1 1 d .
H32 H 0.3319 0.6289 0.2445 0.029 Uiso 1 1 d R
C33 C 0.3539(3) 0.5287(3) 0.2766(2) 0.0220(9) Uani 1 1 d .
H33 H 0.3100 0.5388 0.3126 0.026 Uiso 1 1 d R
C34 C 0.4067(3) 0.4607(2) 0.2626(2) 0.0169(8) Uani 1 1 d .
C35 C 0.6144(3) 0.3732(2) 0.42081(19) 0.0144(7) Uani 1 1 d .
C36 C 0.5890(3) 0.2946(2) 0.42859(19) 0.0145(7) Uani 1 1 d .
C37 C 0.4817(3) 0.2512(2) 0.4184(2) 0.0138(7) Uani 1 1 d .
C38 C 0.4050(3) 0.2380(2) 0.3588(2) 0.0141(7) Uani 1 1 d .
C39 C 0.3059(3) 0.1962(2) 0.3532(2) 0.0165(8) Uani 1 1 d .
C40 C 0.2873(3) 0.1705(3) 0.4118(2) 0.0212(9) Uani 1 1 d .
H40 H 0.2207 0.1423 0.4096 0.025 Uiso 1 1 d R
C41 C 0.3603(3) 0.1834(3) 0.4740(2) 0.0225(9) Uani 1 1 d .
C42 C 0.4564(3) 0.2239(2) 0.4754(2) 0.0186(8) Uani 1 1 d .
H42 H 0.5078 0.2335 0.5170 0.022 Uiso 1 1 d R
C43 C 0.6664(3) 0.2624(3) 0.4600(2) 0.0173(8) Uani 1 1 d .
H43 H 0.6517 0.2068 0.4629 0.021 Uiso 1 1 d R
C44 C 0.7638(3) 0.3102(3) 0.4868(2) 0.0187(8) Uani 1 1 d .
C45 C 0.7814(3) 0.3940(3) 0.4853(2) 0.0192(8) Uani 1 1 d .
H45 H 0.8468 0.4287 0.5068 0.023 Uiso 1 1 d R
C46 C 0.7081(3) 0.4289(2) 0.45414(19) 0.0153(7) Uani 1 1 d .
C47 C 0.2205(3) 0.1772(3) 0.2864(2) 0.0216(9) Uani 1 1 d .
C48 C 0.1187(3) 0.1362(4) 0.2988(3) 0.0410(13) Uani 1 1 d .
H48A H 0.1243 0.0798 0.3022 0.062 Uiso 1 1 d R
H48B H 0.0655 0.1280 0.2565 0.062 Uiso 1 1 d R
H48C H 0.1014 0.1748 0.3454 0.062 Uiso 1 1 d R
C49 C 0.2050(4) 0.2603(3) 0.2725(3) 0.0392(14) Uani 1 1 d .
H49A H 0.1983 0.3054 0.3198 0.059 Uiso 1 1 d R
H49B H 0.1432 0.2476 0.2356 0.059 Uiso 1 1 d R
H49C H 0.2633 0.2807 0.2536 0.059 Uiso 1 1 d R
C50 C 0.2458(4) 0.1128(3) 0.2147(2) 0.0260(10) Uani 1 1 d .
H50A H 0.3084 0.1381 0.2034 0.039 Uiso 1 1 d R
H50B H 0.1901 0.1001 0.1729 0.039 Uiso 1 1 d R
H50C H 0.2550 0.0589 0.2219 0.039 Uiso 1 1 d R
C51 C 0.3330(4) 0.1527(3) 0.5355(3) 0.0337(11) Uani 1 1 d .
C52 C 0.2326(4) 0.1783(3) 0.5584(3) 0.0362(12) Uani 1 1 d .
H52A H 0.2377 0.2415 0.5744 0.054 Uiso 1 1 d R
H52B H 0.2189 0.1605 0.6000 0.054 Uiso 1 1 d R
H52C H 0.1773 0.1493 0.5156 0.054 Uiso 1 1 d R
C53 C 0.4135(5) 0.1925(6) 0.6059(3) 0.098(3) Uani 1 1 d .
H53A H 0.4783 0.1757 0.5940 0.147 Uiso 1 1 d R
H53B H 0.3933 0.1714 0.6443 0.147 Uiso 1 1 d R
H53C H 0.4208 0.2560 0.6248 0.147 Uiso 1 1 d R
C54 C 0.3185(5) 0.0520(4) 0.5042(4) 0.0554(17) Uani 1 1 d .
H54A H 0.2631 0.0277 0.4611 0.083 Uiso 1 1 d R
H54B H 0.3021 0.0307 0.5434 0.083 Uiso 1 1 d R
H54C H 0.3813 0.0339 0.4886 0.083 Uiso 1 1 d R
C55 C 0.8501(3) 0.2751(3) 0.5193(3) 0.0261(10) Uani 1 1 d .
C56 C 0.8131(3) 0.1891(3) 0.5266(3) 0.0285(10) Uani 1 1 d .
H56A H 0.7583 0.1957 0.5562 0.043 Uiso 1 1 d R
H56B H 0.8693 0.1721 0.5518 0.043 Uiso 1 1 d R
H56C H 0.7878 0.1442 0.4766 0.043 Uiso 1 1 d R
C57 C 0.8996(5) 0.3416(3) 0.5980(3) 0.0532(18) Uani 1 1 d .
H57A H 0.8472 0.3558 0.6292 0.080 Uiso 1 1 d R
H57B H 0.9334 0.3946 0.5937 0.080 Uiso 1 1 d R
H57C H 0.9495 0.3167 0.6212 0.080 Uiso 1 1 d R
C58 C 0.9292(4) 0.2608(4) 0.4678(3) 0.0447(14) Uani 1 1 d .
H58A H 0.9851 0.2396 0.4890 0.067 Uiso 1 1 d R
H58B H 0.9553 0.3158 0.4633 0.067 Uiso 1 1 d R
H58C H 0.8980 0.2177 0.4180 0.067 Uiso 1 1 d R
C59 C 0.7252(3) 0.5258(2) 0.4661(2) 0.0172(8) Uani 1 1 d .
C60 C 0.8301(3) 0.5733(3) 0.5103(2) 0.0266(10) Uani 1 1 d .
H60A H 0.8389 0.5671 0.5590 0.040 Uiso 1 1 d R
H60B H 0.8370 0.6350 0.5180 0.040 Uiso 1 1 d R
H60C H 0.8820 0.5482 0.4822 0.040 Uiso 1 1 d R
C61 C 0.6474(3) 0.5686(3) 0.5126(2) 0.0217(9) Uani 1 1 d .
H61A H 0.6545 0.5592 0.5599 0.033 Uiso 1 1 d R
H61B H 0.5787 0.5427 0.4842 0.033 Uiso 1 1 d R
H61C H 0.6596 0.6311 0.5231 0.033 Uiso 1 1 d R
C62 C 0.7133(4) 0.5422(3) 0.3926(2) 0.0232(9) Uani 1 1 d .
H62A H 0.7229 0.6049 0.4041 0.035 Uiso 1 1 d R
H62B H 0.6454 0.5146 0.3635 0.035 Uiso 1 1 d R
H62C H 0.7643 0.5174 0.3634 0.035 Uiso 1 1 d R
C63 C 0.6358(3) 0.1628(2) 0.2306(2) 0.0195(8) Uani 1 1 d .
C64 C 0.5369(4) 0.1241(3) 0.2259(2) 0.0230(9) Uani 1 1 d .
H64 H 0.4832 0.1362 0.1970 0.028 Uiso 1 1 d R
C65 C 0.5149(4) 0.0681(3) 0.2626(2) 0.0260(10) Uani 1 1 d .
H65 H 0.4467 0.0430 0.2598 0.031 Uiso 1 1 d R
C66 C 0.5938(4) 0.0493(3) 0.3037(2) 0.0318(11) Uani 1 1 d .
H66 H 0.5794 0.0121 0.3299 0.038 Uiso 1 1 d R
C67 C 0.6933(4) 0.0844(3) 0.3065(2) 0.0289(11) Uani 1 1 d .
H67 H 0.7470 0.0695 0.3331 0.035 Uiso 1 1 d R
C68 C 0.7148(4) 0.1415(3) 0.2707(2) 0.0252(9) Uani 1 1 d .
H68 H 0.7832 0.1661 0.2733 0.030 Uiso 1 1 d R
C69 C 0.7921(3) 0.2860(3) 0.2198(2) 0.0194(8) Uani 1 1 d .
C70 C 0.8156(3) 0.3453(3) 0.2940(2) 0.0212(9) Uani 1 1 d .
H70 H 0.7627 0.3580 0.3223 0.025 Uiso 1 1 d R
C71 C 0.9141(4) 0.3857(3) 0.3270(3) 0.0282(10) Uani 1 1 d .
H71 H 0.9289 0.4244 0.3781 0.034 Uiso 1 1 d R
C72 C 0.9915(4) 0.3701(3) 0.2858(3) 0.0328(11) Uani 1 1 d .
H72 H 1.0591 0.3991 0.3078 0.039 Uiso 1 1 d R
C73 C 0.9696(4) 0.3121(4) 0.2128(3) 0.0412(14) Uani 1 1 d .
H73 H 1.0227 0.3016 0.1845 0.049 Uiso 1 1 d R
C74 C 0.8714(4) 0.2684(3) 0.1795(2) 0.0319(11) Uani 1 1 d .
H74 H 0.8583 0.2269 0.1296 0.038 Uiso 1 1 d R
C75 C 0.6606(3) 0.1628(2) 0.0870(2) 0.0178(8) Uani 1 1 d .
C76 C 0.6295(4) 0.0738(3) 0.0626(2) 0.0256(10) Uani 1 1 d .
H76 H 0.6028 0.0493 0.0954 0.031 Uiso 1 1 d R
C77 C 0.6370(4) 0.0193(3) -0.0102(2) 0.0287(10) Uani 1 1 d .
H77 H 0.6151 -0.0418 -0.0267 0.034 Uiso 1 1 d R
C78 C 0.6761(4) 0.0547(3) -0.0574(2) 0.0278(10) Uani 1 1 d .
H78 H 0.6819 0.0179 -0.1065 0.033 Uiso 1 1 d R
C79 C 0.7073(3) 0.1434(3) -0.0339(2) 0.0234(9) Uani 1 1 d .
H79 H 0.7348 0.1677 -0.0666 0.028 Uiso 1 1 d R
C80 C 0.6983(3) 0.1972(3) 0.0379(2) 0.0193(8) Uani 1 1 d .
H80 H 0.7181 0.2584 0.0535 0.023 Uiso 1 1 d R
C81 C 0.9368(5) 0.9503(4) 0.3225(4) 0.0560(17) Uani 1 1 d .
H81A H 0.8637 0.9335 0.3193 0.084 Uiso 1 1 d R
H81B H 0.9583 0.9117 0.2778 0.084 Uiso 1 1 d R
H81C H 0.9518 1.0105 0.3256 0.084 Uiso 1 1 d R
C82 C 0.9936(4) 0.9428(4) 0.3925(3) 0.0521(16) Uani 1 1 d .
H82A H 0.9740 0.8828 0.3905 0.062 Uiso 1 1 d R
H82B H 1.0672 0.9527 0.3918 0.062 Uiso 1 1 d R
C83 C 0.9741(4) 1.0049(3) 0.4646(3) 0.0451(14) Uani 1 1 d .
H83A H 0.9000 0.9971 0.4639 0.054 Uiso 1 1 d R
H83B H 0.9970 1.0648 0.4677 0.054 Uiso 1 1 d R
C84 C 0.8817(6) 0.9830(6) 0.1317(5) 0.095(3) Uani 1 1 d .
H84A H 0.8368 0.9279 0.1006 0.143 Uiso 1 1 d R
H84B H 0.8435 1.0214 0.1649 0.143 Uiso 1 1 d R
H84C H 0.9379 0.9718 0.1619 0.143 Uiso 1 1 d R
C85 C 0.9225(7) 1.0260(6) 0.0819(4) 0.087(3) Uani 1 1 d .
H85A H 0.8649 1.0410 0.0553 0.105 Uiso 1 1 d R
H85B H 0.9676 1.0813 0.1146 0.105 Uiso 1 1 d R
C86 C 0.9793(6) 0.9782(5) 0.0253(4) 0.068(2) Uani 1 1 d .
H86A H 0.9345 0.9226 -0.0071 0.081 Uiso 1 1 d R
H86B H 1.0374 0.9638 0.0519 0.081 Uiso 1 1 d 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'
Cl Cl 0.1484 0.1585 '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
C29 Rh1 P1 78.35(11) . .
C29 Rh1 P2 76.95(11) . .
P1 Rh1 P2 154.55(4) . .
C29 Rh1 P3 174.82(11) . .
P1 Rh1 P3 100.60(4) . .
P2 Rh1 P3 103.46(4) . .
C29 Rh1 Cl1 93.01(11) . .
P1 Rh1 Cl1 99.06(4) . .
P2 Rh1 Cl1 88.27(4) . .
P3 Rh1 Cl1 92.16(4) . .
C29 Rh1 H1 81.3 . .
P1 Rh1 H1 84.5 . .
P2 Rh1 H1 85.8 . .
P3 Rh1 H1 93.5 . .
Cl1 Rh1 H1 172.6 . .
O1 P1 O2 105.40(15) . .
O1 P1 O3 104.74(14) . .
O2 P1 O3 95.68(14) . .
O1 P1 Rh1 114.13(10) . .
O2 P1 Rh1 126.51(12) . .
O3 P1 Rh1 106.95(11) . .
O5 P2 O6 104.16(15) . .
O5 P2 O4 104.39(14) . .
O6 P2 O4 94.33(13) . .
O5 P2 Rh1 116.83(10) . .
O6 P2 Rh1 106.71(10) . .
O4 P2 Rh1 126.11(12) . .
C63 P3 C75 102.20(18) . .
C63 P3 C69 102.14(19) . .
C75 P3 C69 103.63(19) . .
C63 P3 Rh1 117.43(13) . .
C75 P3 Rh1 116.85(12) . .
C69 P3 Rh1 112.62(12) . .
C1 O1 P1 123.9(2) . .
C4 O2 P1 135.1(3) . .
C30 O3 P1 114.9(2) . .
C35 O4 P2 122.3(2) . .
C38 O5 P2 130.2(2) . .
C34 O6 P2 113.2(2) . .
C12 C1 O1 119.3(3) . .
C12 C1 C2 122.6(4) . .
O1 C1 C2 117.9(3) . .
C9 C2 C1 117.6(3) . .
C9 C2 C3 117.0(3) . .
C1 C2 C3 125.4(4) . .
C4 C3 C8 117.3(3) . .
C4 C3 C2 125.2(3) . .
C8 C3 C2 116.9(4) . .
O2 C4 C3 120.6(3) . .
O2 C4 C5 117.0(4) . .
C3 C4 C5 122.2(3) . .
C6 C5 C4 116.0(4) . .
C6 C5 C13 119.7(3) . .
C4 C5 C13 124.3(3) . .
C7 C6 C5 124.2(3) . .
C7 C6 H6 117.9 . .
C5 C6 H6 117.9 . .
C6 C7 C8 116.7(3) . .
C6 C7 C17 121.2(3) . .
C8 C7 C17 122.0(4) . .
C7 C8 C3 122.4(4) . .
C7 C8 H8 118.8 . .
C3 C8 H8 118.8 . .
C2 C9 C10 122.6(4) . .
C2 C9 H9 118.7 . .
C10 C9 H9 118.7 . .
C9 C10 C11 117.0(4) . .
C9 C10 C21 119.6(3) . .
C11 C10 C21 123.4(4) . .
C12 C11 C10 124.3(4) . .
C12 C11 H11 117.8 . .
C10 C11 H11 117.8 . .
C11 C12 C1 116.0(3) . .
C11 C12 C25 120.9(3) . .
C1 C12 C25 123.1(4) . .
C15 C13 C5 108.4(3) . .
C15 C13 C14 109.9(4) . .
C5 C13 C14 114.5(3) . .
C15 C13 C16 108.2(3) . .
C5 C13 C16 110.2(3) . .
C14 C13 C16 105.5(3) . .
C13 C14 H14A 109.6 . .
C13 C14 H14B 109.3 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C13 C15 H15A 109.4 . .
C13 C15 H15B 109.6 . .
H15A C15 H15B 109.5 . .
C13 C15 H15C 109.4 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C13 C16 H16A 109.5 . .
C13 C16 H16B 109.4 . .
H16A C16 H16B 109.5 . .
C13 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C18 C17 C19 110.2(4) . .
C18 C17 C7 108.9(4) . .
C19 C17 C7 112.9(3) . .
C18 C17 C20 107.2(4) . .
C19 C17 C20 107.2(4) . .
C7 C17 C20 110.3(4) . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.2 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.7 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C17 C19 H19C 109.4 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C17 C20 H20A 109.4 . .
C17 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C17 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C23 C21 C10 113.1(4) . .
C23 C21 C24 108.3(4) . .
C10 C21 C24 109.6(3) . .
C23 C21 C22 108.4(4) . .
C10 C21 C22 108.2(3) . .
C24 C21 C22 109.3(4) . .
C21 C22 H22A 109.4 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C21 C23 H23A 109.7 . .
C21 C23 H23B 109.3 . .
H23A C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C21 C24 H24A 109.5 . .
C21 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C21 C24 H24C 109.4 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C26 C25 C28 108.4(3) . .
C26 C25 C27 110.3(4) . .
C28 C25 C27 105.9(3) . .
C26 C25 C12 109.1(3) . .
C28 C25 C12 111.4(4) . .
C27 C25 C12 111.7(3) . .
C25 C26 H26A 109.6 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.4 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C25 C27 H27A 109.4 . .
C25 C27 H27B 109.4 . .
H27A C27 H27B 109.5 . .
C25 C27 H27C 109.6 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C25 C28 H28A 109.6 . .
C25 C28 H28B 109.4 . .
H28A C28 H28B 109.5 . .
C25 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C34 C29 C30 115.2(3) . .
C34 C29 Rh1 122.7(3) . .
C30 C29 Rh1 122.0(3) . .
C31 C30 O3 119.3(3) . .
C31 C30 C29 123.5(4) . .
O3 C30 C29 117.2(3) . .
C30 C31 C32 118.0(4) . .
C30 C31 H31 121.0 . .
C32 C31 H31 121.0 . .
C33 C32 C31 121.7(4) . .
C33 C32 H32 119.2 . .
C31 C32 H32 119.1 . .
C34 C33 C32 117.3(4) . .
C34 C33 H33 121.3 . .
C32 C33 H33 121.3 . .
C33 C34 C29 124.3(4) . .
C33 C34 O6 119.0(3) . .
C29 C34 O6 116.8(3) . .
C36 C35 O4 118.2(3) . .
C36 C35 C46 123.2(3) . .
O4 C35 C46 118.3(3) . .
C35 C36 C43 117.8(4) . .
C35 C36 C37 122.9(3) . .
C43 C36 C37 118.4(3) . .
C38 C37 C42 117.6(4) . .
C38 C37 C36 126.0(3) . .
C42 C37 C36 116.4(3) . .
C37 C38 O5 118.8(3) . .
C37 C38 C39 122.5(4) . .
O5 C38 C39 118.5(3) . .
C40 C39 C38 116.2(3) . .
C40 C39 C47 120.1(4) . .
C38 C39 C47 123.7(4) . .
C39 C40 C41 124.1(4) . .
C39 C40 H40 118.0 . .
C41 C40 H40 117.9 . .
C42 C41 C40 116.7(4) . .
C42 C41 C51 122.9(4) . .
C40 C41 C51 120.4(4) . .
C41 C42 C37 122.9(4) . .
C41 C42 H42 118.6 . .
C37 C42 H42 118.6 . .
C44 C43 C36 121.4(4) . .
C44 C43 H43 119.3 . .
C36 C43 H43 119.3 . .
C43 C44 C45 117.7(4) . .
C43 C44 C55 122.2(4) . .
C45 C44 C55 120.1(4) . .
C46 C45 C44 123.4(4) . .
C46 C45 H45 118.3 . .
C44 C45 H45 118.3 . .
C45 C46 C35 115.5(3) . .
C45 C46 C59 121.1(3) . .
C35 C46 C59 122.8(3) . .
C50 C47 C39 110.3(3) . .
C50 C47 C49 107.9(4) . .
C39 C47 C49 111.7(3) . .
C50 C47 C48 107.2(4) . .
C39 C47 C48 111.6(4) . .
C49 C47 C48 107.9(4) . .
C47 C48 H48A 109.6 . .
C47 C48 H48B 109.3 . .
H48A C48 H48B 109.5 . .
C47 C48 H48C 109.4 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
C47 C49 H49A 109.3 . .
C47 C49 H49B 109.4 . .
H49A C49 H49B 109.5 . .
C47 C49 H49C 109.7 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
C47 C50 H50A 109.6 . .
C47 C50 H50B 109.4 . .
H50A C50 H50B 109.5 . .
C47 C50 H50C 109.4 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
C53 C51 C41 111.8(4) . .
C53 C51 C52 106.9(5) . .
C41 C51 C52 111.3(4) . .
C53 C51 C54 111.1(6) . .
C41 C51 C54 108.0(4) . .
C52 C51 C54 107.8(4) . .
C51 C52 H52A 109.5 . .
C51 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C51 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
C51 C53 H53A 109.4 . .
C51 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
C51 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
C51 C54 H54A 109.6 . .
C51 C54 H54B 109.4 . .
H54A C54 H54B 109.5 . .
C51 C54 H54C 109.4 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
C56 C55 C58 108.2(4) . .
C56 C55 C44 112.4(4) . .
C58 C55 C44 109.2(4) . .
C56 C55 C57 108.1(4) . .
C58 C55 C57 109.6(5) . .
C44 C55 C57 109.3(4) . .
C55 C56 H56A 109.5 . .
C55 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
C55 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
C55 C57 H57A 109.5 . .
C55 C57 H57B 109.5 . .
H57A C57 H57B 109.5 . .
C55 C57 H57C 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
C55 C58 H58A 109.4 . .
C55 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
C55 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
C60 C59 C46 112.1(3) . .
C60 C59 C62 107.1(4) . .
C46 C59 C62 113.5(3) . .
C60 C59 C61 107.0(3) . .
C46 C59 C61 108.4(3) . .
C62 C59 C61 108.5(3) . .
C59 C60 H60A 109.4 . .
C59 C60 H60B 109.4 . .
H60A C60 H60B 109.5 . .
C59 C60 H60C 109.6 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
C59 C61 H61A 109.5 . .
C59 C61 H61B 109.5 . .
H61A C61 H61B 109.5 . .
C59 C61 H61C 109.4 . .
H61A C61 H61C 109.5 . .
H61B C61 H61C 109.5 . .
C59 C62 H62A 109.4 . .
C59 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
C59 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
C64 C63 C68 118.8(4) . .
C64 C63 P3 118.8(3) . .
C68 C63 P3 122.3(4) . .
C65 C64 C63 121.3(4) . .
C65 C64 H64 119.3 . .
C63 C64 H64 119.4 . .
C64 C65 C66 119.1(5) . .
C64 C65 H65 120.5 . .
C66 C65 H65 120.4 . .
C67 C66 C65 120.4(4) . .
C67 C66 H66 119.8 . .
C65 C66 H66 119.8 . .
C66 C67 C68 120.2(4) . .
C66 C67 H67 119.9 . .
C68 C67 H67 120.0 . .
C67 C68 C63 120.0(5) . .
C67 C68 H68 120.0 . .
C63 C68 H68 120.0 . .
C70 C69 C74 118.1(4) . .
C70 C69 P3 117.2(3) . .
C74 C69 P3 124.7(3) . .
C71 C70 C69 121.3(4) . .
C71 C70 H70 119.3 . .
C69 C70 H70 119.4 . .
C70 C71 C72 120.1(4) . .
C70 C71 H71 120.0 . .
C72 C71 H71 119.9 . .
C73 C72 C71 119.3(5) . .
C73 C72 H72 120.3 . .
C71 C72 H72 120.4 . .
C72 C73 C74 121.4(4) . .
C72 C73 H73 119.3 . .
C74 C73 H73 119.3 . .
C73 C74 C69 119.8(4) . .
C73 C74 H74 120.1 . .
C69 C74 H74 120.2 . .
C76 C75 C80 118.7(3) . .
C76 C75 P3 123.0(3) . .
C80 C75 P3 118.2(3) . .
C75 C76 C77 120.6(4) . .
C75 C76 H76 119.7 . .
C77 C76 H76 119.7 . .
C78 C77 C76 119.6(4) . .
C78 C77 H77 120.1 . .
C76 C77 H77 120.2 . .
C77 C78 C79 120.4(4) . .
C77 C78 H78 119.8 . .
C79 C78 H78 119.8 . .
C78 C79 C80 119.7(4) . .
C78 C79 H79 120.2 . .
C80 C79 H79 120.2 . .
C75 C80 C79 120.9(4) . .
C75 C80 H80 119.6 . .
C79 C80 H80 119.5 . .
C82 C81 H81A 109.4 . .
C82 C81 H81B 109.4 . .
H81A C81 H81B 109.5 . .
C82 C81 H81C 109.6 . .
H81A C81 H81C 109.5 . .
H81B C81 H81C 109.5 . .
C83 C82 C81 114.2(5) . .
C83 C82 H82A 108.6 . .
C81 C82 H82A 108.8 . .
C83 C82 H82B 108.7 . .
C81 C82 H82B 108.7 . .
H82A C82 H82B 107.6 . .
C82 C83 C83 115.0(6) . 2_776
C82 C83 H83A 108.5 . .
C83 C83 H83A 108.4 2_776 .
C82 C83 H83B 108.5 . .
C83 C83 H83B 108.6 2_776 .
H83A C83 H83B 107.6 . .
C85 C84 H84A 109.4 . .
C85 C84 H84B 109.2 . .
H84A C84 H84B 109.5 . .
C85 C84 H84C 109.8 . .
H84A C84 H84C 109.5 . .
H84B C84 H84C 109.5 . .
C86 C85 C84 118.5(7) . .
C86 C85 H85A 107.5 . .
C84 C85 H85A 108.1 . .
C86 C85 H85B 107.4 . .
C84 C85 H85B 107.7 . .
H85A C85 H85B 107.1 . .
C85 C86 C86 118.6(8) . 2_775
C85 C86 H86A 107.5 . .
C86 C86 H86A 108.1 2_775 .
C85 C86 H86B 107.5 . .
C86 C86 H86B 107.5 2_775 .
H86A C86 H86B 107.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C29 2.033(4) .
Rh1 P1 2.2705(11) .
Rh1 P2 2.2759(10) .
Rh1 P3 2.3959(10) .
Rh1 Cl1 2.4630(10) .
Rh1 H1 1.5944 .
P1 O1 1.597(3) .
P1 O2 1.598(3) .
P1 O3 1.618(3) .
P2 O5 1.577(3) .
P2 O6 1.615(3) .
P2 O4 1.616(3) .
P3 C63 1.821(4) .
P3 C75 1.827(4) .
P3 C69 1.829(4) .
O1 C1 1.407(5) .
O2 C4 1.389(4) .
O3 C30 1.395(5) .
O4 C35 1.399(4) .
O5 C38 1.399(4) .
O6 C34 1.393(5) .
C1 C12 1.405(5) .
C1 C2 1.407(5) .
C2 C9 1.386(6) .
C2 C3 1.492(5) .
C3 C4 1.401(6) .
C3 C8 1.404(5) .
C4 C5 1.405(5) .
C5 C6 1.396(5) .
C5 C13 1.536(6) .
C6 C7 1.392(6) .
C6 H6 0.9500 .
C7 C8 1.392(5) .
C7 C17 1.531(5) .
C8 H8 0.9500 .
C9 C10 1.388(5) .
C9 H9 0.9500 .
C10 C11 1.394(5) .
C10 C21 1.526(6) .
C11 C12 1.382(6) .
C11 H11 0.9500 .
C12 C25 1.543(5) .
C13 C15 1.520(6) .
C13 C14 1.538(5) .
C13 C16 1.543(5) .
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 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C18 1.512(6) .
C17 C19 1.513(7) .
C17 C20 1.548(6) .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 C23 1.522(6) .
C21 C24 1.539(6) .
C21 C22 1.539(6) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 C26 1.532(6) .
C25 C28 1.533(6) .
C25 C27 1.541(6) .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
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 C34 1.386(5) .
C29 C30 1.396(5) .
C30 C31 1.375(5) .
C31 C32 1.387(6) .
C31 H31 0.9500 .
C32 C33 1.385(6) .
C32 H32 0.9500 .
C33 C34 1.380(5) .
C33 H33 0.9500 .
C35 C36 1.381(5) .
C35 C46 1.404(5) .
C36 C43 1.406(5) .
C36 C37 1.494(5) .
C37 C38 1.391(5) .
C37 C42 1.397(5) .
C38 C39 1.404(6) .
C39 C40 1.386(6) .
C39 C47 1.539(5) .
C40 C41 1.396(6) .
C40 H40 0.9500 .
C41 C42 1.379(6) .
C41 C51 1.520(6) .
C42 H42 0.9500 .
C43 C44 1.385(6) .
C43 H43 0.9500 .
C44 C45 1.403(6) .
C44 C55 1.536(5) .
C45 C46 1.393(5) .
C45 H45 0.9500 .
C46 C59 1.536(5) .
C47 C50 1.531(5) .
C47 C49 1.539(6) .
C47 C48 1.542(7) .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C49 H49A 0.9800 .
C49 H49B 0.9800 .
C49 H49C 0.9800 .
C50 H50A 0.9800 .
C50 H50B 0.9800 .
C50 H50C 0.9800 .
C51 C53 1.519(7) .
C51 C52 1.538(7) .
C51 C54 1.552(8) .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C52 H52C 0.9800 .
C53 H53A 0.9800 .
C53 H53B 0.9800 .
C53 H53C 0.9800 .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
C55 C56 1.523(6) .
C55 C58 1.529(7) .
C55 C57 1.541(6) .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
C57 H57A 0.9800 .
C57 H57B 0.9800 .
C57 H57C 0.9800 .
C58 H58A 0.9800 .
C58 H58B 0.9800 .
C58 H58C 0.9800 .
C59 C60 1.524(6) .
C59 C62 1.536(5) .
C59 C61 1.541(5) .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
C61 H61A 0.9800 .
C61 H61B 0.9800 .
C61 H61C 0.9800 .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
C62 H62C 0.9800 .
C63 C64 1.387(6) .
C63 C68 1.401(6) .
C64 C65 1.385(6) .
C64 H64 0.9500 .
C65 C66 1.388(7) .
C65 H65 0.9500 .
C66 C67 1.384(7) .
C66 H66 0.9500 .
C67 C68 1.387(6) .
C67 H67 0.9500 .
C68 H68 0.9500 .
C69 C70 1.397(5) .
C69 C74 1.397(6) .
C70 C71 1.380(6) .
C70 H70 0.9500 .
C71 C72 1.381(7) .
C71 H71 0.9500 .
C72 C73 1.372(7) .
C72 H72 0.9500 .
C73 C74 1.388(7) .
C73 H73 0.9500 .
C74 H74 0.9500 .
C75 C76 1.384(6) .
C75 C80 1.386(6) .
C76 C77 1.405(6) .
C76 H76 0.9500 .
C77 C78 1.372(6) .
C77 H77 0.9500 .
C78 C79 1.381(6) .
C78 H78 0.9500 .
C79 C80 1.391(5) .
C79 H79 0.9500 .
C80 H80 0.9500 .
C81 C82 1.530(8) .
C81 H81A 0.9800 .
C81 H81B 0.9800 .
C81 H81C 0.9800 .
C82 C83 1.491(8) .
C82 H82A 0.9900 .
C82 H82B 0.9900 .
C83 C83 1.536(11) 2_776
C83 H83A 0.9900 .
C83 H83B 0.9900 .
C84 C85 1.506(11) .
C84 H84A 0.9800 .
C84 H84B 0.9800 .
C84 H84C 0.9800 .
C85 C86 1.467(10) .
C85 H85A 0.9900 .
C85 H85B 0.9900 .
C86 C86 1.529(14) 2_775
C86 H86A 0.9900 .
C86 H86B 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
C29 Rh1 P1 O1 121.92(15) .
P2 Rh1 P1 O1 107.85(13) .
P3 Rh1 P1 O1 -52.92(11) .
Cl1 Rh1 P1 O1 -146.86(11) .
C29 Rh1 P1 O2 -104.17(17) .
P2 Rh1 P1 O2 -118.23(15) .
P3 Rh1 P1 O2 81.00(14) .
Cl1 Rh1 P1 O2 -12.94(14) .
C29 Rh1 P1 O3 6.58(15) .
P2 Rh1 P1 O3 -7.48(15) .
P3 Rh1 P1 O3 -168.25(11) .
Cl1 Rh1 P1 O3 97.81(11) .
C29 Rh1 P2 O5 130.90(16) .
P1 Rh1 P2 O5 145.05(13) .
P3 Rh1 P2 O5 -54.40(12) .
Cl1 Rh1 P2 O5 37.41(12) .
C29 Rh1 P2 O6 14.92(15) .
P1 Rh1 P2 O6 29.06(16) .
P3 Rh1 P2 O6 -170.38(11) .
Cl1 Rh1 P2 O6 -78.57(11) .
C29 Rh1 P2 O4 -93.54(16) .
P1 Rh1 P2 O4 -79.40(15) .
P3 Rh1 P2 O4 81.15(12) .
Cl1 Rh1 P2 O4 172.96(12) .
C29 Rh1 P3 C63 113.0(12) .
P1 Rh1 P3 C63 -169.33(15) .
P2 Rh1 P3 C63 19.04(15) .
Cl1 Rh1 P3 C63 -69.69(15) .
C29 Rh1 P3 C75 -125.1(12) .
P1 Rh1 P3 C75 -47.35(17) .
P2 Rh1 P3 C75 141.02(17) .
Cl1 Rh1 P3 C75 52.28(17) .
C29 Rh1 P3 C69 -5.2(12) .
P1 Rh1 P3 C69 72.46(15) .
P2 Rh1 P3 C69 -99.18(15) .
Cl1 Rh1 P3 C69 172.09(14) .
O2 P1 O1 C1 54.1(3) .
O3 P1 O1 C1 -46.2(3) .
Rh1 P1 O1 C1 -162.8(2) .
O1 P1 O2 C4 19.1(4) .
O3 P1 O2 C4 126.1(4) .
Rh1 P1 O2 C4 -117.9(3) .
O1 P1 O3 C30 -129.5(2) .
O2 P1 O3 C30 122.9(3) .
Rh1 P1 O3 C30 -8.0(3) .
O5 P2 O4 C35 62.2(3) .
O6 P2 O4 C35 168.0(3) .
Rh1 P2 O4 C35 -77.7(3) .
O6 P2 O5 C38 -81.5(3) .
O4 P2 O5 C38 16.9(3) .
Rh1 P2 O5 C38 161.2(3) .
O5 P2 O6 C34 -144.8(2) .
O4 P2 O6 C34 109.2(3) .
Rh1 P2 O6 C34 -20.6(3) .
P1 O1 C1 C12 116.8(3) .
P1 O1 C1 C2 -67.7(4) .
C12 C1 C2 C9 -2.1(5) .
O1 C1 C2 C9 -177.4(3) .
C12 C1 C2 C3 175.7(3) .
O1 C1 C2 C3 0.4(5) .
C9 C2 C3 C4 -135.3(4) .
C1 C2 C3 C4 46.9(6) .
C9 C2 C3 C8 36.1(5) .
C1 C2 C3 C8 -141.7(4) .
P1 O2 C4 C3 -37.4(5) .
P1 O2 C4 C5 147.9(3) .
C8 C3 C4 O2 173.4(3) .
C2 C3 C4 O2 -15.2(6) .
C8 C3 C4 C5 -12.2(5) .
C2 C3 C4 C5 159.2(3) .
O2 C4 C5 C6 -174.4(3) .
C3 C4 C5 C6 11.0(5) .
O2 C4 C5 C13 4.1(5) .
C3 C4 C5 C13 -170.5(3) .
C4 C5 C6 C7 -2.2(6) .
C13 C5 C6 C7 179.2(3) .
C5 C6 C7 C8 -4.9(6) .
C5 C6 C7 C17 174.9(4) .
C6 C7 C8 C3 3.7(5) .
C17 C7 C8 C3 -176.1(3) .
C4 C3 C8 C7 4.5(5) .
C2 C3 C8 C7 -167.6(3) .
C1 C2 C9 C10 2.7(5) .
C3 C2 C9 C10 -175.3(3) .
C2 C9 C10 C11 -1.9(6) .
C2 C9 C10 C21 177.3(3) .
C9 C10 C11 C12 0.5(6) .
C21 C10 C11 C12 -178.8(4) .
C10 C11 C12 C1 0.1(6) .
C10 C11 C12 C25 178.4(4) .
O1 C1 C12 C11 176.0(3) .
C2 C1 C12 C11 0.8(5) .
O1 C1 C12 C25 -2.3(5) .
C2 C1 C12 C25 -177.5(3) .
C6 C5 C13 C15 86.9(4) .
C4 C5 C13 C15 -91.6(4) .
C6 C5 C13 C14 -150.0(4) .
C4 C5 C13 C14 31.5(5) .
C6 C5 C13 C16 -31.3(5) .
C4 C5 C13 C16 150.2(4) .
C6 C7 C17 C18 -74.2(5) .
C8 C7 C17 C18 105.5(5) .
C6 C7 C17 C19 163.0(4) .
C8 C7 C17 C19 -17.2(5) .
C6 C7 C17 C20 43.1(5) .
C8 C7 C17 C20 -137.1(4) .
C9 C10 C21 C23 -179.4(4) .
C11 C10 C21 C23 -0.2(6) .
C9 C10 C21 C24 59.7(5) .
C11 C10 C21 C24 -121.1(4) .
C9 C10 C21 C22 -59.3(5) .
C11 C10 C21 C22 119.9(4) .
C11 C12 C25 C26 -116.2(4) .
C1 C12 C25 C26 61.9(5) .
C11 C12 C25 C28 3.4(5) .
C1 C12 C25 C28 -178.4(4) .
C11 C12 C25 C27 121.6(4) .
C1 C12 C25 C27 -60.2(5) .
P1 Rh1 C29 C34 176.9(3) .
P2 Rh1 C29 C34 -9.2(3) .
P3 Rh1 C29 C34 -104.4(12) .
Cl1 Rh1 C29 C34 78.3(3) .
P1 Rh1 C29 C30 -5.2(3) .
P2 Rh1 C29 C30 168.6(3) .
P3 Rh1 C29 C30 73.5(13) .
Cl1 Rh1 C29 C30 -103.9(3) .
P1 O3 C30 C31 -175.7(3) .
P1 O3 C30 C29 4.7(4) .
C34 C29 C30 C31 0.3(6) .
Rh1 C29 C30 C31 -177.7(3) .
C34 C29 C30 O3 179.9(3) .
Rh1 C29 C30 O3 1.9(5) .
O3 C30 C31 C32 179.9(4) .
C29 C30 C31 C32 -0.5(6) .
C30 C31 C32 C33 0.5(6) .
C31 C32 C33 C34 -0.2(6) .
C32 C33 C34 C29 0.0(6) .
C32 C33 C34 O6 178.7(4) .
C30 C29 C34 C33 -0.1(6) .
Rh1 C29 C34 C33 177.9(3) .
C30 C29 C34 O6 -178.8(3) .
Rh1 C29 C34 O6 -0.8(5) .
P2 O6 C34 C33 -163.5(3) .
P2 O6 C34 C29 15.3(4) .
P2 O4 C35 C36 -61.1(4) .
P2 O4 C35 C46 125.6(3) .
O4 C35 C36 C43 175.6(3) .
C46 C35 C36 C43 -11.5(5) .
O4 C35 C36 C37 -15.7(5) .
C46 C35 C36 C37 157.1(3) .
C35 C36 C37 C38 48.0(5) .
C43 C36 C37 C38 -143.5(4) .
C35 C36 C37 C42 -130.0(4) .
C43 C36 C37 C42 38.6(5) .
C42 C37 C38 O5 -176.6(3) .
C36 C37 C38 O5 5.4(5) .
C42 C37 C38 C39 -2.3(5) .
C36 C37 C38 C39 179.8(3) .
P2 O5 C38 C37 -54.3(4) .
P2 O5 C38 C39 131.1(3) .
C37 C38 C39 C40 1.7(5) .
O5 C38 C39 C40 176.1(3) .
C37 C38 C39 C47 -177.2(3) .
O5 C38 C39 C47 -2.9(5) .
C38 C39 C40 C41 -0.2(6) .
C47 C39 C40 C41 178.8(4) .
C39 C40 C41 C42 -0.6(6) .
C39 C40 C41 C51 -179.9(4) .
C40 C41 C42 C37 0.0(6) .
C51 C41 C42 C37 179.3(4) .
C38 C37 C42 C41 1.4(6) .
C36 C37 C42 C41 179.5(4) .
C35 C36 C43 C44 4.1(5) .
C37 C36 C43 C44 -165.0(3) .
C36 C43 C44 C45 3.3(6) .
C36 C43 C44 C55 -178.3(4) .
C43 C44 C45 C46 -4.2(6) .
C55 C44 C45 C46 177.4(4) .
C44 C45 C46 C35 -2.5(6) .
C44 C45 C46 C59 169.1(4) .
C36 C35 C46 C45 10.6(5) .
O4 C35 C46 C45 -176.6(3) .
C36 C35 C46 C59 -160.9(3) .
O4 C35 C46 C59 12.0(5) .
C40 C39 C47 C50 -114.2(4) .
C38 C39 C47 C50 64.7(5) .
C40 C39 C47 C49 125.7(4) .
C38 C39 C47 C49 -55.3(5) .
C40 C39 C47 C48 4.9(5) .
C38 C39 C47 C48 -176.2(4) .
C42 C41 C51 C53 15.2(7) .
C40 C41 C51 C53 -165.6(5) .
C42 C41 C51 C52 134.7(4) .
C40 C41 C51 C52 -46.1(6) .
C42 C41 C51 C54 -107.2(5) .
C40 C41 C51 C54 72.0(5) .
C43 C44 C55 C56 -6.7(6) .
C45 C44 C55 C56 171.6(4) .
C43 C44 C55 C58 113.3(5) .
C45 C44 C55 C58 -68.3(5) .
C43 C44 C55 C57 -126.7(5) .
C45 C44 C55 C57 51.6(6) .
C45 C46 C59 C60 3.3(5) .
C35 C46 C59 C60 174.3(4) .
C45 C46 C59 C62 124.8(4) .
C35 C46 C59 C62 -64.2(5) .
C45 C46 C59 C61 -114.6(4) .
C35 C46 C59 C61 56.4(4) .
C75 P3 C63 C64 -83.8(3) .
C69 P3 C63 C64 169.2(3) .
Rh1 P3 C63 C64 45.5(3) .
C75 P3 C63 C68 94.5(3) .
C69 P3 C63 C68 -12.5(4) .
Rh1 P3 C63 C68 -136.2(3) .
C68 C63 C64 C65 2.8(6) .
P3 C63 C64 C65 -178.9(3) .
C63 C64 C65 C66 -1.2(6) .
C64 C65 C66 C67 -1.5(6) .
C65 C66 C67 C68 2.5(6) .
C66 C67 C68 C63 -0.9(6) .
C64 C63 C68 C67 -1.7(6) .
P3 C63 C68 C67 -180.0(3) .
C63 P3 C69 C70 -72.4(3) .
C75 P3 C69 C70 -178.3(3) .
Rh1 P3 C69 C70 54.5(3) .
C63 P3 C69 C74 107.9(4) .
C75 P3 C69 C74 1.9(4) .
Rh1 P3 C69 C74 -125.3(3) .
C74 C69 C70 C71 0.0(6) .
P3 C69 C70 C71 -179.7(3) .
C69 C70 C71 C72 2.2(7) .
C70 C71 C72 C73 -2.0(7) .
C71 C72 C73 C74 -0.4(8) .
C72 C73 C74 C69 2.7(8) .
C70 C69 C74 C73 -2.4(7) .
P3 C69 C74 C73 177.3(4) .
C63 P3 C75 C76 11.8(4) .
C69 P3 C75 C76 117.6(4) .
Rh1 P3 C75 C76 -117.9(3) .
C63 P3 C75 C80 -166.1(3) .
C69 P3 C75 C80 -60.2(3) .
Rh1 P3 C75 C80 64.3(3) .
C80 C75 C76 C77 0.7(6) .
P3 C75 C76 C77 -177.1(4) .
C75 C76 C77 C78 0.4(7) .
C76 C77 C78 C79 -0.5(7) .
C77 C78 C79 C80 -0.5(7) .
C76 C75 C80 C79 -1.7(6) .
P3 C75 C80 C79 176.2(3) .
C78 C79 C80 C75 1.6(6) .
C81 C82 C83 C83 176.9(6) 2_776
C84 C85 C86 C86 180.0(8) 2_775
