#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:41:38 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178577 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/87/4068764.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_4068764
loop_
_publ_author_name
'Okazaki, Masaaki'
'Hayashi, Akito'
'Fu, Ching-Feng'
'Liu, Shiuh-Tzung'
'Ozawa, Fumiyuki'
_publ_section_title
;
 Synthesis, Structures, and Reactions of Dirhodium Complexes Bearing a
 1,2-Diphenyl-3,4-diphosphinidenecyclobutene Ligand (DPCB)
;
_journal_issue                   3
_journal_name_full               Organometallics
_journal_page_first              902
_journal_paper_doi               10.1021/om8010799
_journal_volume                  28
_journal_year                    2009
_chemical_absolute_configuration unk
_chemical_formula_moiety         'C114 H162 O2 P4 Rh2'
_chemical_formula_sum            'C114 H162 O2 P4 Rh2'
_chemical_formula_weight         1894.14
_chemical_melting_point          413
_chemical_name_common            'complex 2'
_chemical_properties_physical    air-sensitive
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.493(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.318(6)
_cell_length_b                   16.990(6)
_cell_length_c                   19.833(7)
_cell_measurement_reflns_used    13457
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      3.0222
_cell_volume                     5324(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Saturn70 CCD (4x4 bin mode)'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0564
_diffrn_reflns_av_sigmaI/netI    0.0591
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            41918
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.25
_diffrn_source                   'Rotating Anode'
_exptl_absorpt_coefficient_mu    0.417
_exptl_absorpt_correction_T_max  0.9439
_exptl_absorpt_correction_T_min  0.9439
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Higashi
_exptl_crystal_colour            'dark yellow'
_exptl_crystal_density_diffrn    1.182
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2024
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.812
_refine_diff_density_min         -0.545
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.242
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     602
_refine_ls_number_reflns         12123
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.242
_refine_ls_R_factor_all          0.0979
_refine_ls_R_factor_gt           0.0812
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0473P)²+6.6273P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1462
_refine_ls_wR_factor_ref         0.1544
_reflns_number_gt                10491
_reflns_number_total             12123
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om8010799_si_001.cif
_cod_data_source_block           complex2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' 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 21/c'
_cod_database_code               4068764
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.092852(18) 0.01496(2) 0.053379(15) 0.02744(10) Uani 1 1 d . . .
P1 P 0.21517(6) 0.06564(6) 0.05045(5) 0.0268(2) Uani 1 1 d . . .
P2 P 0.16011(6) -0.01264(6) 0.16062(5) 0.0260(2) Uani 1 1 d . . .
O1 O 0.02469(17) 0.0356(2) -0.04845(14) 0.0451(8) Uani 1 1 d . . .
H1 H 0.0489 0.0527 -0.0877 0.13(3) Uiso 1 1 d . . .
C1 C 0.2900(2) 0.0553(2) 0.1244(2) 0.0279(8) Uani 1 1 d . . .
C2 C 0.3753(2) 0.0628(2) 0.1730(2) 0.0284(8) Uani 1 1 d . . .
C3 C 0.3491(2) 0.0201(2) 0.2253(2) 0.0299(8) Uani 1 1 d . . .
C4 C 0.2620(2) 0.0136(2) 0.18122(19) 0.0298(9) Uani 1 1 d . . .
C5 C 0.4469(2) 0.1121(2) 0.1698(2) 0.0292(8) Uani 1 1 d . . .
C6 C 0.4474(3) 0.1524(3) 0.1082(2) 0.0382(10) Uani 1 1 d . . .
H2 H 0.4057 0.1405 0.0666 0.046 Uiso 1 1 calc R . .
C7 C 0.5073(3) 0.2089(3) 0.1068(3) 0.0437(11) Uani 1 1 d . . .
H3 H 0.5056 0.2364 0.0648 0.052 Uiso 1 1 calc R . .
C8 C 0.5702(3) 0.2261(3) 0.1666(3) 0.0416(11) Uani 1 1 d . . .
H4 H 0.6109 0.2659 0.1660 0.050 Uiso 1 1 calc R . .
C9 C 0.5724(3) 0.1846(3) 0.2265(2) 0.0382(10) Uani 1 1 d . . .
H5 H 0.6162 0.1947 0.2672 0.046 Uiso 1 1 calc R . .
C10 C 0.5120(2) 0.1284(3) 0.2283(2) 0.0333(9) Uani 1 1 d . . .
H6 H 0.5149 0.1004 0.2703 0.040 Uiso 1 1 calc R . .
C11 C 0.3877(3) -0.0104(3) 0.2943(2) 0.0363(10) Uani 1 1 d . . .
C12 C 0.3407(3) -0.0145(3) 0.3443(2) 0.0526(13) Uani 1 1 d . . .
H7 H 0.2830 0.0014 0.3325 0.063 Uiso 1 1 calc R . .
C13 C 0.3779(4) -0.0417(4) 0.4114(3) 0.0744(19) Uani 1 1 d . . .
H8 H 0.3461 -0.0430 0.4455 0.089 Uiso 1 1 calc R . .
C14 C 0.4606(5) -0.0667(4) 0.4279(3) 0.077(2) Uani 1 1 d . . .
H9 H 0.4859 -0.0854 0.4735 0.092 Uiso 1 1 calc R . .
C15 C 0.5070(4) -0.0648(3) 0.3787(3) 0.0683(18) Uani 1 1 d . . .
H10 H 0.5639 -0.0829 0.3902 0.082 Uiso 1 1 calc R . .
C16 C 0.4704(3) -0.0363(3) 0.3122(3) 0.0508(13) Uani 1 1 d . . .
H11 H 0.5029 -0.0347 0.2786 0.061 Uiso 1 1 calc R . .
C17 C 0.2598(2) 0.1112(2) -0.01624(19) 0.0252(8) Uani 1 1 d . . .
C18 C 0.2623(2) 0.1949(2) -0.02197(19) 0.0269(8) Uani 1 1 d . . .
C19 C 0.3124(3) 0.2266(3) -0.0618(2) 0.0330(9) Uani 1 1 d . . .
H12 H 0.3154 0.2822 -0.0651 0.040 Uiso 1 1 calc R . .
C20 C 0.3589(3) 0.1808(3) -0.0976(2) 0.0350(9) Uani 1 1 d . A .
C21 C 0.3524(3) 0.1005(3) -0.0937(2) 0.0338(9) Uani 1 1 d . . .
H13 H 0.3829 0.0690 -0.1187 0.041 Uiso 1 1 calc R . .
C22 C 0.3029(2) 0.0624(2) -0.0548(2) 0.0293(9) Uani 1 1 d . . .
C23 C 0.2112(3) 0.2528(3) 0.0126(2) 0.0379(10) Uani 1 1 d . . .
C24 C 0.2381(4) 0.2513(3) 0.0927(2) 0.0626(16) Uani 1 1 d . . .
H14 H 0.2219 0.2008 0.1094 0.094 Uiso 1 1 calc R . .
H15 H 0.2100 0.2942 0.1111 0.094 Uiso 1 1 calc R . .
H16 H 0.2996 0.2579 0.1085 0.094 Uiso 1 1 calc R . .
C25 C 0.1166(3) 0.2336(3) -0.0141(3) 0.0567(14) Uani 1 1 d . . .
H17 H 0.1055 0.1810 0.0018 0.085 Uiso 1 1 calc R . .
H18 H 0.1006 0.2352 -0.0651 0.085 Uiso 1 1 calc R . .
H19 H 0.0832 0.2725 0.0041 0.085 Uiso 1 1 calc R . .
C26 C 0.2224(3) 0.3386(3) -0.0082(3) 0.0471(12) Uani 1 1 d . . .
H20 H 0.1843 0.3727 0.0098 0.071 Uiso 1 1 calc R . .
H21 H 0.2090 0.3428 -0.0591 0.071 Uiso 1 1 calc R . .
H22 H 0.2811 0.3550 0.0114 0.071 Uiso 1 1 calc R . .
C27 C 0.4122(3) 0.2202(3) -0.1424(2) 0.0433(11) Uani 1 1 d . . .
C28 C 0.4777(6) 0.2728(6) -0.0981(4) 0.060(3) Uani 0.788(18) 1 d P A 1
H23 H 0.5118 0.2969 -0.1268 0.091 Uiso 0.788(18) 1 calc PR A 1
H24 H 0.5144 0.2418 -0.0608 0.091 Uiso 0.788(18) 1 calc PR A 1
H25 H 0.4497 0.3142 -0.0776 0.091 Uiso 0.788(18) 1 calc PR A 1
C29 C 0.4580(6) 0.1573(5) -0.1776(5) 0.060(3) Uani 0.788(18) 1 d P A 1
H26 H 0.4157 0.1230 -0.2075 0.091 Uiso 0.788(18) 1 calc PR A 1
H27 H 0.4958 0.1257 -0.1416 0.091 Uiso 0.788(18) 1 calc PR A 1
H28 H 0.4910 0.1839 -0.2059 0.091 Uiso 0.788(18) 1 calc PR A 1
C30 C 0.3520(6) 0.2662(6) -0.2009(5) 0.053(2) Uani 0.788(18) 1 d P A 1
H29 H 0.3839 0.2881 -0.2323 0.079 Uiso 0.788(18) 1 calc PR A 1
H30 H 0.3257 0.3091 -0.1807 0.079 Uiso 0.788(18) 1 calc PR A 1
H31 H 0.3079 0.2308 -0.2270 0.079 Uiso 0.788(18) 1 calc PR A 1
C31 C 0.3003(3) -0.0290(3) -0.0576(2) 0.0388(10) Uani 1 1 d . . .
C32 C 0.3576(4) -0.0646(3) 0.0078(3) 0.0674(17) Uani 1 1 d . . .
H32 H 0.4144 -0.0420 0.0155 0.101 Uiso 1 1 calc R . .
H33 H 0.3606 -0.1218 0.0021 0.101 Uiso 1 1 calc R . .
H34 H 0.3346 -0.0530 0.0479 0.101 Uiso 1 1 calc R . .
C33 C 0.2097(3) -0.0605(3) -0.0708(3) 0.0647(16) Uani 1 1 d . . .
H35 H 0.2096 -0.1173 -0.0794 0.097 Uiso 1 1 calc R . .
H36 H 0.1738 -0.0341 -0.1116 0.097 Uiso 1 1 calc R . .
H37 H 0.1877 -0.0503 -0.0300 0.097 Uiso 1 1 calc R . .
C34 C 0.3321(4) -0.0606(3) -0.1193(3) 0.0675(17) Uani 1 1 d . . .
H38 H 0.3919 -0.0467 -0.1128 0.101 Uiso 1 1 calc R . .
H39 H 0.2988 -0.0372 -0.1627 0.101 Uiso 1 1 calc R . .
H40 H 0.3259 -0.1180 -0.1217 0.101 Uiso 1 1 calc R . .
C35 C 0.1359(2) -0.0598(2) 0.23636(18) 0.0234(8) Uani 1 1 d . . .
C36 C 0.1068(2) -0.0141(2) 0.28557(19) 0.0285(8) Uani 1 1 d . . .
C37 C 0.1078(3) -0.0492(3) 0.3495(2) 0.0362(10) Uani 1 1 d . . .
H41 H 0.0889 -0.0189 0.3830 0.043 Uiso 1 1 calc R . .
C38 C 0.1346(3) -0.1250(3) 0.3666(2) 0.0413(11) Uani 1 1 d . . .
C39 C 0.1580(3) -0.1702(3) 0.3155(2) 0.0347(9) Uani 1 1 d . . .
H42 H 0.1746 -0.2233 0.3259 0.042 Uiso 1 1 calc R . .
C40 C 0.1579(2) -0.1408(2) 0.25000(19) 0.0264(8) Uani 1 1 d . . .
C41 C 0.0720(3) 0.0712(3) 0.2730(2) 0.0374(10) Uani 1 1 d . . .
C42 C 0.1424(4) 0.1309(3) 0.2711(3) 0.0568(14) Uani 1 1 d . . .
H43 H 0.1197 0.1845 0.2694 0.085 Uiso 1 1 calc R . .
H44 H 0.1635 0.1215 0.2297 0.085 Uiso 1 1 calc R . .
H45 H 0.1889 0.1248 0.3130 0.085 Uiso 1 1 calc R . .
C43 C 0.0007(3) 0.0754(3) 0.2059(2) 0.0562(14) Uani 1 1 d . . .
H46 H -0.0434 0.0372 0.2083 0.084 Uiso 1 1 calc R . .
H47 H 0.0235 0.0633 0.1658 0.084 Uiso 1 1 calc R . .
H48 H -0.0236 0.1285 0.2006 0.084 Uiso 1 1 calc R . .
C44 C 0.0317(3) 0.0992(3) 0.3314(3) 0.0511(13) Uani 1 1 d . . .
H49 H 0.0071 0.1516 0.3200 0.077 Uiso 1 1 calc R . .
H50 H 0.0752 0.1015 0.3756 0.077 Uiso 1 1 calc R . .
H51 H -0.0128 0.0622 0.3358 0.077 Uiso 1 1 calc R . .
C45 C 0.1339(4) -0.1636(3) 0.4367(2) 0.0581(15) Uani 1 1 d . . .
C46 C 0.2237(5) -0.1919(4) 0.4726(3) 0.083(2) Uani 1 1 d . . .
H52 H 0.2224 -0.2211 0.5150 0.124 Uiso 1 1 calc R . .
H53 H 0.2613 -0.1464 0.4849 0.124 Uiso 1 1 calc R . .
H54 H 0.2445 -0.2264 0.4409 0.124 Uiso 1 1 calc R . .
C47 C 0.0744(4) -0.2350(3) 0.4245(3) 0.0621(15) Uani 1 1 d . . .
H55 H 0.0167 -0.2178 0.4019 0.093 Uiso 1 1 calc R . .
H56 H 0.0750 -0.2597 0.4692 0.093 Uiso 1 1 calc R . .
H57 H 0.0935 -0.2731 0.3945 0.093 Uiso 1 1 calc R . .
C48 C 0.1031(7) -0.1067(4) 0.4850(3) 0.123(4) Uani 1 1 d . . .
H58 H 0.0469 -0.0867 0.4614 0.184 Uiso 1 1 calc R . .
H59 H 0.1428 -0.0625 0.4969 0.184 Uiso 1 1 calc R . .
H60 H 0.1001 -0.1343 0.5277 0.184 Uiso 1 1 calc R . .
C49 C 0.1749(2) -0.1997(2) 0.1951(2) 0.0303(9) Uani 1 1 d . . .
C50 C 0.0978(3) -0.1998(3) 0.1311(2) 0.0394(10) Uani 1 1 d . . .
H61 H 0.0934 -0.1485 0.1078 0.059 Uiso 1 1 calc R . .
H62 H 0.0461 -0.2098 0.1464 0.059 Uiso 1 1 calc R . .
H63 H 0.1050 -0.2411 0.0986 0.059 Uiso 1 1 calc R . .
C51 C 0.2566(3) -0.1822(3) 0.1716(2) 0.0407(10) Uani 1 1 d . . .
H64 H 0.2722 -0.2286 0.1483 0.061 Uiso 1 1 calc R . .
H65 H 0.3025 -0.1694 0.2124 0.061 Uiso 1 1 calc R . .
H66 H 0.2468 -0.1375 0.1393 0.061 Uiso 1 1 calc R . .
C52 C 0.1842(3) -0.2845(2) 0.2234(2) 0.0385(10) Uani 1 1 d . . .
H67 H 0.1923 -0.3204 0.1869 0.058 Uiso 1 1 calc R . .
H68 H 0.1330 -0.2994 0.2375 0.058 Uiso 1 1 calc R . .
H69 H 0.2332 -0.2876 0.2636 0.058 Uiso 1 1 calc R . .
C53 C 0.2842(7) -0.0169(7) 0.6610(7) 0.167(5) Uani 1 1 d . . .
H70 H 0.3323 0.0187 0.6777 0.251 Uiso 1 1 calc R . .
H71 H 0.2841 -0.0358 0.6143 0.251 Uiso 1 1 calc R . .
H72 H 0.2891 -0.0618 0.6928 0.251 Uiso 1 1 calc R . .
C54 C 0.2035(8) 0.0262(7) 0.6584(6) 0.148(4) Uani 1 1 d . . .
H73 H 0.1994 0.0688 0.6236 0.178 Uiso 1 1 calc R . .
H74 H 0.1568 -0.0110 0.6391 0.178 Uiso 1 1 calc R . .
C55 C 0.1856(6) 0.0611(5) 0.7190(5) 0.102(3) Uani 1 1 d . . .
H75 H 0.1789 0.0166 0.7495 0.122 Uiso 1 1 calc R . .
H76 H 0.2380 0.0887 0.7434 0.122 Uiso 1 1 calc R . .
C56 C 0.1188(6) 0.1134(7) 0.7197(7) 0.160(5) Uani 1 1 d . . .
H77 H 0.0653 0.0886 0.6938 0.192 Uiso 1 1 calc R . .
H78 H 0.1270 0.1614 0.6938 0.192 Uiso 1 1 calc R . .
C57 C 0.1075(6) 0.1400(4) 0.7948(4) 0.101(3) Uani 1 1 d . . .
H79 H 0.1049 0.0932 0.8231 0.151 Uiso 1 1 calc R . .
H80 H 0.0550 0.1703 0.7888 0.151 Uiso 1 1 calc R . .
H81 H 0.1557 0.1727 0.8182 0.151 Uiso 1 1 calc R . .
C58 C 0.499(2) 0.188(2) -0.129(3) 0.085(17) Uani 0.212(18) 1 d P A 2
H82 H 0.4967 0.1301 -0.1322 0.127 Uiso 0.212(18) 1 calc PR A 2
H83 H 0.5318 0.2033 -0.0825 0.127 Uiso 0.212(18) 1 calc PR A 2
H84 H 0.5271 0.2082 -0.1640 0.127 Uiso 0.212(18) 1 calc PR A 2
C59 C 0.371(2) 0.226(4) -0.2142(18) 0.079(16) Uani 0.212(18) 1 d P A 2
H85 H 0.4098 0.2486 -0.2395 0.118 Uiso 0.212(18) 1 calc PR A 2
H86 H 0.3213 0.2609 -0.2200 0.118 Uiso 0.212(18) 1 calc PR A 2
H87 H 0.3524 0.1741 -0.2327 0.118 Uiso 0.212(18) 1 calc PR A 2
C60 C 0.429(3) 0.317(3) -0.116(3) 0.101(17) Uani 0.212(18) 1 d P A 2
H88 H 0.4755 0.3390 -0.1336 0.152 Uiso 0.212(18) 1 calc PR A 2
H89 H 0.4445 0.3195 -0.0650 0.152 Uiso 0.212(18) 1 calc PR A 2
H90 H 0.3776 0.3477 -0.1343 0.152 Uiso 0.212(18) 1 calc PR 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'
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
O1 Rh1 O1 76.19(12) . 3
O1 Rh1 P2 176.76(9) . .
O1 Rh1 P2 100.92(8) 3 .
O1 Rh1 P1 100.24(8) . .
O1 Rh1 P1 175.74(9) 3 .
P2 Rh1 P1 82.59(4) . .
C1 P1 C17 110.11(17) . .
C1 P1 Rh1 114.04(14) . .
C17 P1 Rh1 135.65(12) . .
C4 P2 C35 108.79(17) . .
C4 P2 Rh1 114.05(13) . .
C35 P2 Rh1 137.15(12) . .
Rh1 O1 Rh1 103.81(12) . 3
Rh1 O1 H1 125.9(2) . .
Rh1 O1 H1 128.5(2) 3 .
C2 C1 C4 88.0(3) . .
C2 C1 P1 157.2(3) . .
C4 C1 P1 114.8(3) . .
C3 C2 C5 136.1(3) . .
C3 C2 C1 91.4(3) . .
C5 C2 C1 130.9(4) . .
C2 C3 C11 137.2(4) . .
C2 C3 C4 91.5(3) . .
C11 C3 C4 131.2(4) . .
C3 C4 C1 88.9(3) . .
C3 C4 P2 156.6(3) . .
C1 C4 P2 114.5(3) . .
C10 C5 C6 117.3(4) . .
C10 C5 C2 122.2(4) . .
C6 C5 C2 120.0(3) . .
C7 C6 C5 121.2(4) . .
C7 C6 H2 119.4 . .
C5 C6 H2 119.4 . .
C6 C7 C8 120.5(4) . .
C6 C7 H3 119.8 . .
C8 C7 H3 119.8 . .
C9 C8 C7 118.8(4) . .
C9 C8 H4 120.6 . .
C7 C8 H4 120.6 . .
C8 C9 C10 120.9(4) . .
C8 C9 H5 119.6 . .
C10 C9 H5 119.6 . .
C9 C10 C5 121.2(4) . .
C9 C10 H6 119.4 . .
C5 C10 H6 119.4 . .
C16 C11 C12 118.5(4) . .
C16 C11 C3 121.4(4) . .
C12 C11 C3 120.0(4) . .
C13 C12 C11 120.4(5) . .
C13 C12 H7 119.8 . .
C11 C12 H7 119.8 . .
C14 C13 C12 119.8(6) . .
C14 C13 H8 120.1 . .
C12 C13 H8 120.1 . .
C13 C14 C15 120.3(5) . .
C13 C14 H9 119.8 . .
C15 C14 H9 119.8 . .
C14 C15 C16 119.9(6) . .
C14 C15 H10 120.1 . .
C16 C15 H10 120.1 . .
C11 C16 C15 120.9(5) . .
C11 C16 H11 119.5 . .
C15 C16 H11 119.5 . .
C22 C17 C18 120.6(3) . .
C22 C17 P1 118.7(3) . .
C18 C17 P1 120.1(3) . .
C19 C18 C17 117.8(4) . .
C19 C18 C23 117.7(4) . .
C17 C18 C23 124.5(3) . .
C18 C19 C20 123.3(4) . .
C18 C19 H12 118.4 . .
C20 C19 H12 118.4 . .
C21 C20 C19 117.7(4) . .
C21 C20 C27 121.8(4) . .
C19 C20 C27 120.5(4) . .
C20 C21 C22 123.5(4) . .
C20 C21 H13 118.2 . .
C22 C21 H13 118.2 . .
C21 C22 C17 117.0(4) . .
C21 C22 C31 117.0(4) . .
C17 C22 C31 125.9(3) . .
C25 C23 C24 110.7(4) . .
C25 C23 C26 106.6(4) . .
C24 C23 C26 105.7(4) . .
C25 C23 C18 108.5(4) . .
C24 C23 C18 113.4(4) . .
C26 C23 C18 111.6(4) . .
C23 C24 H14 109.5 . .
C23 C24 H15 109.5 . .
H14 C24 H15 109.5 . .
C23 C24 H16 109.5 . .
H14 C24 H16 109.5 . .
H15 C24 H16 109.5 . .
C23 C25 H17 109.5 . .
C23 C25 H18 109.5 . .
H17 C25 H18 109.5 . .
C23 C25 H19 109.5 . .
H17 C25 H19 109.5 . .
H18 C25 H19 109.5 . .
C23 C26 H20 109.5 . .
C23 C26 H21 109.5 . .
H20 C26 H21 109.5 . .
C23 C26 H22 109.5 . .
H20 C26 H22 109.5 . .
H21 C26 H22 109.5 . .
C59 C27 C58 114(2) . .
C59 C27 C28 129(2) . .
C58 C27 C28 66.9(19) . .
C59 C27 C30 32(2) . .
C58 C27 C30 136.6(16) . .
C28 C27 C30 111.6(6) . .
C59 C27 C20 114.5(15) . .
C58 C27 C20 112.9(12) . .
C28 C27 C20 110.0(4) . .
C30 C27 C20 108.1(5) . .
C59 C27 C29 76(2) . .
C58 C27 C29 44(2) . .
C28 C27 C29 108.6(6) . .
C30 C27 C29 107.3(5) . .
C20 C27 C29 111.2(4) . .
C59 C27 C60 104(3) . .
C58 C27 C60 103(2) . .
C28 C27 C60 38.4(18) . .
C30 C27 C60 77(2) . .
C20 C27 C60 108.1(12) . .
C29 C27 C60 136.6(13) . .
C27 C28 H23 109.5 . .
C27 C28 H24 109.5 . .
C27 C28 H25 109.5 . .
C27 C29 H26 109.5 . .
C27 C29 H27 109.5 . .
C27 C29 H28 109.5 . .
C27 C30 H29 109.5 . .
C27 C30 H30 109.5 . .
C27 C30 H31 109.5 . .
C32 C31 C33 111.6(5) . .
C32 C31 C34 106.3(4) . .
C33 C31 C34 104.2(4) . .
C32 C31 C22 111.2(4) . .
C33 C31 C22 111.8(4) . .
C34 C31 C22 111.4(4) . .
C31 C32 H32 109.5 . .
C31 C32 H33 109.5 . .
H32 C32 H33 109.5 . .
C31 C32 H34 109.5 . .
H32 C32 H34 109.5 . .
H33 C32 H34 109.5 . .
C31 C33 H35 109.5 . .
C31 C33 H36 109.5 . .
H35 C33 H36 109.5 . .
C31 C33 H37 109.5 . .
H35 C33 H37 109.5 . .
H36 C33 H37 109.5 . .
C31 C34 H38 109.5 . .
C31 C34 H39 109.5 . .
H38 C34 H39 109.5 . .
C31 C34 H40 109.5 . .
H38 C34 H40 109.5 . .
H39 C34 H40 109.5 . .
C36 C35 C40 120.5(3) . .
C36 C35 P2 120.2(3) . .
C40 C35 P2 118.7(3) . .
C37 C36 C35 117.5(4) . .
C37 C36 C41 117.6(4) . .
C35 C36 C41 124.9(3) . .
C38 C37 C36 123.6(4) . .
C38 C37 H41 118.2 . .
C36 C37 H41 118.2 . .
C37 C38 C39 117.6(4) . .
C37 C38 C45 123.2(4) . .
C39 C38 C45 119.0(4) . .
C40 C39 C38 122.9(4) . .
C40 C39 H42 118.6 . .
C38 C39 H42 118.6 . .
C39 C40 C35 117.6(4) . .
C39 C40 C49 117.7(3) . .
C35 C40 C49 124.5(3) . .
C43 C41 C42 110.9(4) . .
C43 C41 C44 105.3(4) . .
C42 C41 C44 106.1(4) . .
C43 C41 C36 110.5(3) . .
C42 C41 C36 111.9(4) . .
C44 C41 C36 111.9(4) . .
C41 C42 H43 109.5 . .
C41 C42 H44 109.5 . .
H43 C42 H44 109.5 . .
C41 C42 H45 109.5 . .
H43 C42 H45 109.5 . .
H44 C42 H45 109.5 . .
C41 C43 H46 109.5 . .
C41 C43 H47 109.5 . .
H46 C43 H47 109.5 . .
C41 C43 H48 109.5 . .
H46 C43 H48 109.5 . .
H47 C43 H48 109.5 . .
C41 C44 H49 109.5 . .
C41 C44 H50 109.5 . .
H49 C44 H50 109.5 . .
C41 C44 H51 109.5 . .
H49 C44 H51 109.5 . .
H50 C44 H51 109.5 . .
C48 C45 C47 107.7(6) . .
C48 C45 C46 109.3(6) . .
C47 C45 C46 108.5(5) . .
C48 C45 C38 111.9(4) . .
C47 C45 C38 110.0(4) . .
C46 C45 C38 109.3(5) . .
C45 C46 H52 109.5 . .
C45 C46 H53 109.5 . .
H52 C46 H53 109.5 . .
C45 C46 H54 109.5 . .
H52 C46 H54 109.5 . .
H53 C46 H54 109.5 . .
C45 C47 H55 109.5 . .
C45 C47 H56 109.5 . .
H55 C47 H56 109.5 . .
C45 C47 H57 109.5 . .
H55 C47 H57 109.5 . .
H56 C47 H57 109.5 . .
C45 C48 H58 109.5 . .
C45 C48 H59 109.5 . .
H58 C48 H59 109.5 . .
C45 C48 H60 109.5 . .
H58 C48 H60 109.5 . .
H59 C48 H60 109.5 . .
C52 C49 C51 106.0(3) . .
C52 C49 C50 106.4(3) . .
C51 C49 C50 109.9(3) . .
C52 C49 C40 111.4(3) . .
C51 C49 C40 114.0(3) . .
C50 C49 C40 108.9(3) . .
C49 C50 H61 109.5 . .
C49 C50 H62 109.5 . .
H61 C50 H62 109.5 . .
C49 C50 H63 109.5 . .
H61 C50 H63 109.5 . .
H62 C50 H63 109.5 . .
C49 C51 H64 109.5 . .
C49 C51 H65 109.5 . .
H64 C51 H65 109.5 . .
C49 C51 H66 109.5 . .
H64 C51 H66 109.5 . .
H65 C51 H66 109.5 . .
C49 C52 H67 109.5 . .
C49 C52 H68 109.5 . .
H67 C52 H68 109.5 . .
C49 C52 H69 109.5 . .
H67 C52 H69 109.5 . .
H68 C52 H69 109.5 . .
C54 C53 H70 109.5 . .
C54 C53 H71 109.5 . .
H70 C53 H71 109.5 . .
C54 C53 H72 109.5 . .
H70 C53 H72 109.5 . .
H71 C53 H72 109.5 . .
C55 C54 C53 122.3(11) . .
C55 C54 H73 106.8 . .
C53 C54 H73 106.8 . .
C55 C54 H74 106.7 . .
C53 C54 H74 106.8 . .
H73 C54 H74 106.6 . .
C56 C55 C54 126.1(11) . .
C56 C55 H75 105.8 . .
C54 C55 H75 105.8 . .
C56 C55 H76 105.8 . .
C54 C55 H76 105.8 . .
H75 C55 H76 106.2 . .
C55 C56 C57 117.0(9) . .
C55 C56 H77 108.0 . .
C57 C56 H77 108.0 . .
C55 C56 H78 108.0 . .
C57 C56 H78 108.0 . .
H77 C56 H78 107.3 . .
C56 C57 H79 109.5 . .
C56 C57 H80 109.5 . .
H79 C57 H80 109.5 . .
C56 C57 H81 109.5 . .
H79 C57 H81 109.5 . .
H80 C57 H81 109.5 . .
C27 C58 H82 109.5 . .
C27 C58 H83 109.5 . .
H82 C58 H83 109.5 . .
C27 C58 H84 109.5 . .
H82 C58 H84 109.5 . .
H83 C58 H84 109.5 . .
C27 C59 H85 109.5 . .
C27 C59 H86 109.5 . .
H85 C59 H86 109.5 . .
C27 C59 H87 109.5 . .
H85 C59 H87 109.5 . .
H86 C59 H87 109.5 . .
C27 C60 H88 109.5 . .
C27 C60 H89 109.5 . .
H88 C60 H89 109.5 . .
C27 C60 H90 109.5 . .
H88 C60 H90 109.5 . .
H89 C60 H90 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 O1 2.077(3) .
Rh1 O1 2.082(3) 3
Rh1 P2 2.1863(12) .
Rh1 P1 2.1879(12) .
P1 C1 1.666(4) .
P1 C17 1.833(4) .
P2 C4 1.671(4) .
P2 C35 1.831(4) .
O1 Rh1 2.082(3) 3
O1 H1 1.000(3) .
C1 C2 1.487(5) .
C1 C4 1.496(5) .
C2 C3 1.418(5) .
C2 C5 1.451(5) .
C3 C11 1.452(6) .
C3 C4 1.474(5) .
C5 C10 1.392(5) .
C5 C6 1.403(6) .
C6 C7 1.373(6) .
C6 H2 0.9500 .
C7 C8 1.391(6) .
C7 H3 0.9500 .
C8 C9 1.375(6) .
C8 H4 0.9500 .
C9 C10 1.379(6) .
C9 H5 0.9500 .
C10 H6 0.9500 .
C11 C16 1.380(6) .
C11 C12 1.398(7) .
C12 C13 1.396(7) .
C12 H7 0.9500 .
C13 C14 1.374(9) .
C13 H8 0.9500 .
C14 C15 1.377(9) .
C14 H9 0.9500 .
C15 C16 1.393(7) .
C15 H10 0.9500 .
C16 H11 0.9500 .
C17 C22 1.426(5) .
C17 C18 1.428(5) .
C18 C19 1.381(5) .
C18 C23 1.555(6) .
C19 C20 1.398(6) .
C19 H12 0.9500 .
C20 C21 1.372(6) .
C20 C27 1.542(6) .
C21 C22 1.408(5) .
C21 H13 0.9500 .
C22 C31 1.555(6) .
C23 C25 1.536(6) .
C23 C24 1.539(6) .
C23 C26 1.539(6) .
C24 H14 0.9800 .
C24 H15 0.9800 .
C24 H16 0.9800 .
C25 H17 0.9800 .
C25 H18 0.9800 .
C25 H19 0.9800 .
C26 H20 0.9800 .
C26 H21 0.9800 .
C26 H22 0.9800 .
C27 C59 1.42(3) .
C27 C58 1.49(3) .
C27 C28 1.498(9) .
C27 C30 1.532(10) .
C27 C29 1.566(9) .
C27 C60 1.73(4) .
C28 H23 0.9800 .
C28 H24 0.9800 .
C28 H25 0.9800 .
C29 H26 0.9800 .
C29 H27 0.9800 .
C29 H28 0.9800 .
C30 H29 0.9800 .
C30 H30 0.9800 .
C30 H31 0.9800 .
C31 C32 1.521(7) .
C31 C33 1.532(6) .
C31 C34 1.541(7) .
C32 H32 0.9800 .
C32 H33 0.9800 .
C32 H34 0.9800 .
C33 H35 0.9800 .
C33 H36 0.9800 .
C33 H37 0.9800 .
C34 H38 0.9800 .
C34 H39 0.9800 .
C34 H40 0.9800 .
C35 C36 1.419(5) .
C35 C40 1.431(5) .
C36 C37 1.397(5) .
C36 C41 1.555(6) .
C37 C38 1.376(6) .
C37 H41 0.9500 .
C38 C39 1.400(6) .
C38 C45 1.539(6) .
C39 C40 1.391(5) .
C39 H42 0.9500 .
C40 C49 1.554(5) .
C41 C43 1.535(6) .
C41 C42 1.540(7) .
C41 C44 1.544(6) .
C42 H43 0.9800 .
C42 H44 0.9800 .
C42 H45 0.9800 .
C43 H46 0.9800 .
C43 H47 0.9800 .
C43 H48 0.9800 .
C44 H49 0.9800 .
C44 H50 0.9800 .
C44 H51 0.9800 .
C45 C48 1.532(8) .
C45 C47 1.534(8) .
C45 C46 1.538(9) .
C46 H52 0.9800 .
C46 H53 0.9800 .
C46 H54 0.9800 .
C47 H55 0.9800 .
C47 H56 0.9800 .
C47 H57 0.9800 .
C48 H58 0.9800 .
C48 H59 0.9800 .
C48 H60 0.9800 .
C49 C52 1.540(6) .
C49 C51 1.545(6) .
C49 C50 1.547(5) .
C50 H61 0.9800 .
C50 H62 0.9800 .
C50 H63 0.9800 .
C51 H64 0.9800 .
C51 H65 0.9800 .
C51 H66 0.9800 .
C52 H67 0.9800 .
C52 H68 0.9800 .
C52 H69 0.9800 .
C53 C54 1.496(13) .
C53 H70 0.9800 .
C53 H71 0.9800 .
C53 H72 0.9800 .
C54 C55 1.436(12) .
C54 H73 0.9900 .
C54 H74 0.9900 .
C55 C56 1.409(12) .
C55 H75 0.9900 .
C55 H76 0.9900 .
C56 C57 1.611(14) .
C56 H77 0.9900 .
C56 H78 0.9900 .
C57 H79 0.9800 .
C57 H80 0.9800 .
C57 H81 0.9800 .
C58 H82 0.9800 .
C58 H83 0.9800 .
C58 H84 0.9800 .
C59 H85 0.9800 .
C59 H86 0.9800 .
C59 H87 0.9800 .
C60 H88 0.9800 .
C60 H89 0.9800 .
C60 H90 0.9800 .
