#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:46:51 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179204 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/38/4313877.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_4313877
loop_
_publ_author_name
'Indrani Pal'
'Swati Dutta'
'Falguni Basuli'
'Savitha Goverdhan'
'Shie-Ming Peng'
'Gene-Hsiang Lee'
'Samaresh Bhattacharya'
_publ_section_title
;
 Unprecedented Chemical Transformation of Semicarbazones Mediated by
 Wilkinson's Catalyst
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4338
_journal_page_last               4345
_journal_paper_doi               10.1021/ic034247j
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C134 H124 Cl4 N6 O4 P6 Rh3'
_chemical_formula_weight         2518.74
_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                112.3859(5)
_cell_angle_beta                 105.4037(4)
_cell_angle_gamma                90.9540(5)
_cell_formula_units_Z            1
_cell_length_a                   12.1627(1)
_cell_length_b                   16.4398(2)
_cell_length_c                   16.5077(2)
_cell_measurement_reflns_used    all
_cell_measurement_temperature    150(1)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      1.75
_cell_volume                     2916.57(6)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'NONIUS COLLECT'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(1)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'NONIUS KappaCCD'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0776
_diffrn_reflns_av_sigmaI/netI    0.0715
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            69589
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.75
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.652
_exptl_absorpt_correction_T_max  0.972
_exptl_absorpt_correction_T_min  0.934
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.434
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1295
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.115
_refine_diff_density_min         -1.552
_refine_diff_density_rms         0.189
_refine_ls_extinction_coef       0.0083(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     710
_refine_ls_number_reflns         13366
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0919
_refine_ls_R_factor_gt           0.0530
_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)+(0.0741P)²+3.3865P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1268
_refine_ls_wR_factor_ref         0.1494
_reflns_number_gt                9355
_reflns_number_total             13366
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034247jsi20030307_080218.cif
_cod_data_source_block           ic8818
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not_measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        2916.56(6)
_cod_database_code               4313877
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.11811(3) 0.314139(18) 0.126381(19) 0.02076(10) Uani 1 1 d . . .
Rh2 Rh 0.5000 0.0000 0.5000 0.03760(15) Uani 1 2 d S . .
Cl1 Cl 0.07068(9) 0.22451(6) -0.03337(6) 0.0275(2) Uani 1 1 d . . .
Cl2 Cl 0.50455(18) -0.15954(17) 0.41451(16) 0.1036(7) Uani 1 1 d . . .
P1 P -0.07573(9) 0.28071(6) 0.12112(7) 0.0230(2) Uani 1 1 d . . .
P2 P 0.30926(9) 0.34541(6) 0.12534(7) 0.0227(2) Uani 1 1 d . . .
P3 P 0.66766(11) 0.03339(8) 0.47046(8) 0.0413(3) Uani 1 1 d . . .
O1 O 0.0748(2) 0.42093(16) 0.10175(17) 0.0272(6) Uani 1 1 d . . .
O2 O 0.1591(2) 0.20996(16) 0.16112(18) 0.0253(6) Uani 1 1 d . . .
N1 N 0.1666(3) 0.3772(2) 0.2611(2) 0.0256(7) Uani 1 1 d . . .
N2 N 0.2000(3) 0.3228(2) 0.3086(2) 0.0300(8) Uani 1 1 d . . .
N3 N 0.2167(3) 0.1774(2) 0.2873(2) 0.0367(9) Uani 1 1 d . . .
C1 C 0.0810(3) 0.4991(2) 0.1688(3) 0.0267(8) Uani 1 1 d . . .
C2 C 0.0366(4) 0.5653(3) 0.1387(3) 0.0321(9) Uani 1 1 d . . .
H2B H 0.0059 0.5498 0.0748 0.039 Uiso 1 1 calc R . .
C3 C 0.0359(5) 0.6501(3) 0.1974(3) 0.0484(13) Uani 1 1 d . . .
H3A H 0.0043 0.6923 0.1746 0.058 Uiso 1 1 calc R . .
C4 C 0.0822(6) 0.6737(3) 0.2911(3) 0.0625(17) Uani 1 1 d . . .
H4A H 0.0837 0.7327 0.3332 0.075 Uiso 1 1 calc R . .
C5 C 0.1256(5) 0.6110(3) 0.3220(3) 0.0479(13) Uani 1 1 d . . .
H5A H 0.1574 0.6285 0.3862 0.057 Uiso 1 1 calc R . .
C6 C 0.1257(4) 0.5218(3) 0.2640(3) 0.0290(9) Uani 1 1 d . . .
C7 C 0.1693(3) 0.4619(3) 0.3082(3) 0.0264(8) Uani 1 1 d . . .
C8 C 0.2139(4) 0.4973(3) 0.4115(3) 0.0363(10) Uani 1 1 d . . .
H8A H 0.2396 0.4492 0.4300 0.054 Uiso 1 1 calc R . .
H8B H 0.1523 0.5216 0.4379 0.054 Uiso 1 1 calc R . .
H8C H 0.2786 0.5442 0.4337 0.054 Uiso 1 1 calc R . .
C9 C 0.1904(3) 0.2381(3) 0.2501(3) 0.0291(9) Uani 1 1 d . . .
C10 C 0.2462(5) 0.2048(4) 0.3867(3) 0.0485(13) Uani 1 1 d . . .
H10A H 0.2984 0.2616 0.4172 0.058 Uiso 1 1 calc R . .
H10B H 0.2883 0.1597 0.4034 0.058 Uiso 1 1 calc R . .
C11 C 0.1407(6) 0.2166(5) 0.4226(4) 0.0750(19) Uani 1 1 d . . .
H11A H 0.1658 0.2346 0.4892 0.113 Uiso 1 1 calc R . .
H11B H 0.0893 0.1603 0.3936 0.113 Uiso 1 1 calc R . .
H11C H 0.0997 0.2623 0.4078 0.113 Uiso 1 1 calc R . .
C12 C 0.1912(4) 0.0826(3) 0.2297(3) 0.0448(12) Uani 1 1 d . . .
H12A H 0.1453 0.0740 0.1671 0.054 Uiso 1 1 calc R . .
H12B H 0.1437 0.0539 0.2543 0.054 Uiso 1 1 calc R . .
C13 C 0.2978(5) 0.0373(4) 0.2242(4) 0.0616(15) Uani 1 1 d . . .
H13A H 0.2753 -0.0260 0.1847 0.092 Uiso 1 1 calc R . .
H13B H 0.3427 0.0440 0.2858 0.092 Uiso 1 1 calc R . .
H13C H 0.3445 0.0644 0.1987 0.092 Uiso 1 1 calc R . .
C14 C -0.1256(3) 0.3603(2) 0.2119(3) 0.0259(8) Uani 1 1 d . . .
C15 C -0.0673(4) 0.3781(3) 0.3035(3) 0.0283(9) Uani 1 1 d . . .
H15A H -0.0017 0.3499 0.3179 0.034 Uiso 1 1 calc R . .
C16 C -0.1056(4) 0.4371(3) 0.3733(3) 0.0332(10) Uani 1 1 d . . .
H16A H -0.0667 0.4484 0.4354 0.040 Uiso 1 1 calc R . .
C17 C -0.1998(4) 0.4794(3) 0.3531(3) 0.0412(11) Uani 1 1 d . . .
H17A H -0.2250 0.5201 0.4011 0.049 Uiso 1 1 calc R . .
C18 C -0.2569(4) 0.4628(3) 0.2636(3) 0.0407(11) Uani 1 1 d . . .
H18A H -0.3217 0.4920 0.2501 0.049 Uiso 1 1 calc R . .
C19 C -0.2207(4) 0.4033(3) 0.1924(3) 0.0314(9) Uani 1 1 d . . .
H19A H -0.2608 0.3922 0.1306 0.038 Uiso 1 1 calc R . .
C20 C -0.1874(3) 0.2666(3) 0.0156(3) 0.0277(9) Uani 1 1 d . . .
C21 C -0.1740(4) 0.3152(3) -0.0352(3) 0.0347(10) Uani 1 1 d . . .
H21A H -0.1070 0.3567 -0.0146 0.042 Uiso 1 1 calc R . .
C22 C -0.2582(4) 0.3029(3) -0.1155(3) 0.0452(12) Uani 1 1 d . . .
H22A H -0.2489 0.3360 -0.1502 0.054 Uiso 1 1 calc R . .
C23 C -0.3569(4) 0.2420(3) -0.1457(3) 0.0492(13) Uani 1 1 d . . .
H23A H -0.4134 0.2321 -0.2020 0.059 Uiso 1 1 calc R . .
C24 C -0.3722(4) 0.1966(3) -0.0941(3) 0.0469(12) Uani 1 1 d . . .
H24A H -0.4405 0.1567 -0.1138 0.056 Uiso 1 1 calc R . .
C25 C -0.2883(4) 0.2086(3) -0.0133(3) 0.0366(10) Uani 1 1 d . . .
H25A H -0.2997 0.1773 0.0223 0.044 Uiso 1 1 calc R . .
C26 C -0.0988(3) 0.1741(2) 0.1286(3) 0.0257(8) Uani 1 1 d . . .
C27 C -0.1221(4) 0.1640(3) 0.2023(3) 0.0302(9) Uani 1 1 d . . .
H27A H -0.1251 0.2148 0.2540 0.036 Uiso 1 1 calc R . .
C28 C -0.1409(4) 0.0795(3) 0.2008(3) 0.0356(10) Uani 1 1 d . . .
H28A H -0.1574 0.0728 0.2512 0.043 Uiso 1 1 calc R . .
C29 C -0.1355(4) 0.0053(3) 0.1258(3) 0.0371(10) Uani 1 1 d . . .
H29A H -0.1478 -0.0522 0.1251 0.045 Uiso 1 1 calc R . .
C30 C -0.1123(4) 0.0146(3) 0.0523(3) 0.0352(10) Uani 1 1 d . . .
H30A H -0.1102 -0.0366 0.0006 0.042 Uiso 1 1 calc R . .
C31 C -0.0922(4) 0.0984(3) 0.0537(3) 0.0307(9) Uani 1 1 d . . .
H31A H -0.0738 0.1046 0.0037 0.037 Uiso 1 1 calc R . .
C32 C 0.3973(3) 0.2558(3) 0.1246(3) 0.0278(9) Uani 1 1 d . . .
C33 C 0.3448(4) 0.1692(3) 0.0689(3) 0.0333(9) Uani 1 1 d . . .
H33A H 0.2653 0.1581 0.0360 0.040 Uiso 1 1 calc R . .
C34 C 0.4089(4) 0.0993(3) 0.0617(3) 0.0436(12) Uani 1 1 d . . .
H34A H 0.3734 0.0402 0.0233 0.052 Uiso 1 1 calc R . .
C35 C 0.5241(5) 0.1150(3) 0.1100(3) 0.0463(12) Uani 1 1 d . . .
H35A H 0.5673 0.0666 0.1054 0.056 Uiso 1 1 calc R . .
C36 C 0.5764(4) 0.1996(3) 0.1645(3) 0.0447(12) Uani 1 1 d . . .
H36A H 0.6560 0.2101 0.1970 0.054 Uiso 1 1 calc R . .
C37 C 0.5132(4) 0.2709(3) 0.1726(3) 0.0367(10) Uani 1 1 d . . .
H37A H 0.5495 0.3297 0.2110 0.044 Uiso 1 1 calc R . .
C38 C 0.3921(3) 0.4445(3) 0.2237(3) 0.0280(9) Uani 1 1 d . . .
C39 C 0.4072(4) 0.5242(3) 0.2138(3) 0.0365(10) Uani 1 1 d . . .
H39A H 0.3773 0.5264 0.1554 0.044 Uiso 1 1 calc R . .
C40 C 0.4659(5) 0.6004(3) 0.2891(3) 0.0470(12) Uani 1 1 d . . .
H40A H 0.4754 0.6545 0.2819 0.056 Uiso 1 1 calc R . .
C41 C 0.5101(5) 0.5978(3) 0.3732(3) 0.0492(13) Uani 1 1 d . . .
H41A H 0.5503 0.6501 0.4242 0.059 Uiso 1 1 calc R . .
C42 C 0.4963(4) 0.5192(3) 0.3844(3) 0.0431(11) Uani 1 1 d . . .
H42A H 0.5283 0.5173 0.4427 0.052 Uiso 1 1 calc R . .
C43 C 0.4353(4) 0.4428(3) 0.3100(3) 0.0351(10) Uani 1 1 d . . .
H43A H 0.4232 0.3896 0.3182 0.042 Uiso 1 1 calc R . .
C44 C 0.3280(4) 0.3681(2) 0.0293(3) 0.0265(8) Uani 1 1 d . . .
C45 C 0.2428(4) 0.4037(3) -0.0168(3) 0.0325(9) Uani 1 1 d . . .
H45A H 0.1713 0.4101 -0.0034 0.039 Uiso 1 1 calc R . .
C46 C 0.2642(4) 0.4300(3) -0.0835(3) 0.0398(11) Uani 1 1 d . . .
H46A H 0.2067 0.4546 -0.1152 0.048 Uiso 1 1 calc R . .
C47 C 0.3667(4) 0.4206(3) -0.1031(3) 0.0426(12) Uani 1 1 d . . .
H47A H 0.3800 0.4387 -0.1483 0.051 Uiso 1 1 calc R . .
C48 C 0.4510(4) 0.3850(3) -0.0574(3) 0.0404(11) Uani 1 1 d . . .
H48A H 0.5223 0.3788 -0.0710 0.049 Uiso 1 1 calc R . .
C49 C 0.4317(4) 0.3581(3) 0.0083(3) 0.0333(10) Uani 1 1 d . . .
H49A H 0.4894 0.3329 0.0391 0.040 Uiso 1 1 calc R . .
C50 C 0.6795(5) 0.1318(3) 0.4467(3) 0.0448(12) Uani 1 1 d . . .
C51 C 0.5821(6) 0.1648(4) 0.4145(4) 0.0614(16) Uani 1 1 d . . .
H51A H 0.5091 0.1375 0.4083 0.074 Uiso 1 1 calc R . .
C52 C 0.5875(7) 0.2371(4) 0.3907(4) 0.0748(19) Uani 1 1 d . . .
H52A H 0.5195 0.2591 0.3681 0.090 Uiso 1 1 calc R . .
C53 C 0.6955(7) 0.2761(4) 0.4010(4) 0.070(2) Uani 1 1 d . . .
H53A H 0.7010 0.3265 0.3867 0.084 Uiso 1 1 calc R . .
C54 C 0.7949(6) 0.2433(4) 0.4316(4) 0.0657(18) Uani 1 1 d . . .
H54A H 0.8677 0.2694 0.4361 0.079 Uiso 1 1 calc R . .
C55 C 0.7869(5) 0.1731(3) 0.4552(3) 0.0536(14) Uani 1 1 d . . .
H55A H 0.8551 0.1514 0.4779 0.064 Uiso 1 1 calc R . .
C56 C 0.7912(4) 0.0531(3) 0.5692(3) 0.0447(12) Uani 1 1 d . . .
C57 C 0.7781(5) 0.0977(3) 0.6555(3) 0.0433(11) Uani 1 1 d . . .
H57A H 0.7046 0.1127 0.6611 0.052 Uiso 1 1 calc R . .
C58 C 0.8706(5) 0.1208(3) 0.7338(3) 0.0450(12) Uani 1 1 d . . .
H58A H 0.8607 0.1525 0.7924 0.054 Uiso 1 1 calc R . .
C59 C 0.9754(5) 0.0980(3) 0.7266(4) 0.0526(13) Uani 1 1 d . . .
H59A H 1.0394 0.1163 0.7802 0.063 Uiso 1 1 calc R . .
C60 C 0.9898(5) 0.0492(4) 0.6433(4) 0.0675(17) Uani 1 1 d . . .
H60A H 1.0620 0.0297 0.6391 0.081 Uiso 1 1 calc R . .
C61 C 0.8978(5) 0.0282(4) 0.5646(4) 0.0664(17) Uani 1 1 d . . .
H61A H 0.9087 -0.0041 0.5065 0.080 Uiso 1 1 calc R . .
C62 C 0.6984(4) -0.0528(3) 0.3715(3) 0.0451(12) Uani 1 1 d . . .
C63 C 0.7365(5) -0.1308(4) 0.3773(4) 0.0611(15) Uani 1 1 d . . .
H63A H 0.7501 -0.1380 0.4334 0.073 Uiso 1 1 calc R . .
C64 C 0.7543(6) -0.1970(4) 0.3021(4) 0.0716(18) Uani 1 1 d . . .
H64A H 0.7826 -0.2491 0.3065 0.086 Uiso 1 1 calc R . .
C65 C 0.7304(6) -0.1867(4) 0.2195(4) 0.0693(18) Uani 1 1 d . . .
H65A H 0.7421 -0.2326 0.1674 0.083 Uiso 1 1 calc R . .
C66 C 0.6903(5) -0.1118(4) 0.2117(4) 0.0558(15) Uani 1 1 d . . .
H66A H 0.6740 -0.1061 0.1546 0.067 Uiso 1 1 calc R . .
C67 C 0.6737(4) -0.0438(4) 0.2881(3) 0.0482(13) Uani 1 1 d . . .
H67A H 0.6456 0.0083 0.2833 0.058 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'
N N 0.0061 0.0033 '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
_geom_angle_publ_flag
N1 Rh1 O1 95.18(12) . . ?
N1 Rh1 O2 80.78(12) . . ?
O1 Rh1 O2 175.41(10) . . ?
N1 Rh1 P2 89.75(10) . . ?
O1 Rh1 P2 90.46(8) . . ?
O2 Rh1 P2 91.70(8) . . ?
N1 Rh1 Cl1 173.37(10) . . ?
O1 Rh1 Cl1 91.24(8) . . ?
O2 Rh1 Cl1 92.86(8) . . ?
P2 Rh1 Cl1 88.57(3) . . ?
N1 Rh1 P1 92.44(10) . . ?
O1 Rh1 P1 89.02(8) . . ?
O2 Rh1 P1 88.97(8) . . ?
P2 Rh1 P1 177.79(4) . . ?
Cl1 Rh1 P1 89.29(3) . . ?
P3 Rh2 P3 180.0 . 2_656 ?
P3 Rh2 Cl2 90.29(6) . 2_656 ?
P3 Rh2 Cl2 89.71(6) 2_656 2_656 ?
P3 Rh2 Cl2 89.71(6) . . ?
P3 Rh2 Cl2 90.29(6) 2_656 . ?
Cl2 Rh2 Cl2 180.00(7) 2_656 . ?
C26 P1 C14 105.22(18) . . ?
C26 P1 C20 102.18(18) . . ?
C14 P1 C20 103.86(18) . . ?
C26 P1 Rh1 111.34(13) . . ?
C14 P1 Rh1 115.99(13) . . ?
C20 P1 Rh1 116.73(14) . . ?
C44 P2 C32 102.43(18) . . ?
C44 P2 C38 101.52(18) . . ?
C32 P2 C38 105.26(19) . . ?
C44 P2 Rh1 117.73(14) . . ?
C32 P2 Rh1 114.17(13) . . ?
C38 P2 Rh1 114.02(13) . . ?
C56 P3 C50 104.1(2) . . ?
C56 P3 C62 106.6(2) . . ?
C50 P3 C62 102.2(2) . . ?
C56 P3 Rh2 110.15(17) . . ?
C50 P3 Rh2 117.25(19) . . ?
C62 P3 Rh2 115.43(16) . . ?
C1 O1 Rh1 121.9(2) . . ?
C9 O2 Rh1 108.8(2) . . ?
C7 N1 N2 118.6(3) . . ?
C7 N1 Rh1 127.0(3) . . ?
N2 N1 Rh1 114.4(2) . . ?
C9 N2 N1 110.8(3) . . ?
C9 N3 C12 120.6(4) . . ?
C9 N3 C10 120.1(4) . . ?
C12 N3 C10 117.8(4) . . ?
O1 C1 C6 127.1(4) . . ?
O1 C1 C2 114.3(3) . . ?
C6 C1 C2 118.6(3) . . ?
C3 C2 C1 123.0(4) . . ?
C2 C3 C4 118.9(4) . . ?
C5 C4 C3 119.2(4) . . ?
C4 C5 C6 123.9(4) . . ?
C1 C6 C5 116.3(4) . . ?
C1 C6 C7 126.6(3) . . ?
C5 C6 C7 117.1(4) . . ?
N1 C7 C6 121.9(3) . . ?
N1 C7 C8 118.4(4) . . ?
C6 C7 C8 119.7(3) . . ?
O2 C9 N2 125.1(3) . . ?
O2 C9 N3 117.9(4) . . ?
N2 C9 N3 116.9(4) . . ?
N3 C10 C11 113.3(5) . . ?
N3 C12 C13 113.2(4) . . ?
C19 C14 C15 119.1(4) . . ?
C19 C14 P1 121.8(3) . . ?
C15 C14 P1 119.1(3) . . ?
C16 C15 C14 119.8(4) . . ?
C17 C16 C15 120.5(4) . . ?
C18 C17 C16 120.0(4) . . ?
C17 C18 C19 120.6(4) . . ?
C14 C19 C18 120.0(4) . . ?
C21 C20 C25 119.4(4) . . ?
C21 C20 P1 120.6(3) . . ?
C25 C20 P1 120.0(3) . . ?
C22 C21 C20 120.1(4) . . ?
C21 C22 C23 120.0(5) . . ?
C24 C23 C22 120.0(4) . . ?
C23 C24 C25 120.3(5) . . ?
C24 C25 C20 120.1(4) . . ?
C27 C26 C31 119.1(4) . . ?
C27 C26 P1 124.5(3) . . ?
C31 C26 P1 116.4(3) . . ?
C26 C27 C28 120.2(4) . . ?
C29 C28 C27 120.0(4) . . ?
C30 C29 C28 120.3(4) . . ?
C29 C30 C31 120.1(4) . . ?
C30 C31 C26 120.3(4) . . ?
C37 C32 C33 119.5(4) . . ?
C37 C32 P2 123.1(3) . . ?
C33 C32 P2 117.3(3) . . ?
C34 C33 C32 119.7(4) . . ?
C35 C34 C33 120.3(4) . . ?
C36 C35 C34 120.3(4) . . ?
C35 C36 C37 120.1(5) . . ?
C32 C37 C36 120.0(4) . . ?
C43 C38 C39 119.1(4) . . ?
C43 C38 P2 120.8(3) . . ?
C39 C38 P2 120.1(3) . . ?
C40 C39 C38 120.2(4) . . ?
C41 C40 C39 120.4(4) . . ?
C40 C41 C42 120.2(4) . . ?
C41 C42 C43 119.9(4) . . ?
C38 C43 C42 120.1(4) . . ?
C49 C44 C45 119.9(4) . . ?
C49 C44 P2 120.0(3) . . ?
C45 C44 P2 119.8(3) . . ?
C44 C45 C46 118.9(4) . . ?
C47 C46 C45 120.7(4) . . ?
C46 C47 C48 120.1(4) . . ?
C47 C48 C49 120.2(4) . . ?
C48 C49 C44 120.1(4) . . ?
C51 C50 C55 118.3(5) . . ?
C51 C50 P3 120.1(4) . . ?
C55 C50 P3 121.5(4) . . ?
C50 C51 C52 121.7(6) . . ?
C53 C52 C51 118.0(7) . . ?
C54 C53 C52 121.5(5) . . ?
C55 C54 C53 119.1(6) . . ?
C54 C55 C50 121.4(6) . . ?
C61 C56 C57 117.4(5) . . ?
C61 C56 P3 124.8(4) . . ?
C57 C56 P3 117.8(4) . . ?
C58 C57 C56 121.0(5) . . ?
C59 C58 C57 120.0(5) . . ?
C58 C59 C60 120.7(5) . . ?
C59 C60 C61 119.3(6) . . ?
C56 C61 C60 121.5(5) . . ?
C67 C62 C63 119.8(5) . . ?
C67 C62 P3 119.7(4) . . ?
C63 C62 P3 120.2(4) . . ?
C64 C63 C62 120.3(6) . . ?
C63 C64 C65 119.3(6) . . ?
C66 C65 C64 121.4(6) . . ?
C65 C66 C67 119.6(5) . . ?
C62 C67 C66 119.6(6) . . ?
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 N1 1.974(3) . ?
Rh1 O1 1.996(2) . ?
Rh1 O2 2.034(2) . ?
Rh1 P2 2.3786(10) . ?
Rh1 Cl1 2.3795(10) . ?
Rh1 P1 2.3833(11) . ?
Rh2 P3 2.3222(13) . ?
Rh2 P3 2.3222(13) 2_656 ?
Rh2 Cl2 2.470(3) 2_656 ?
Rh2 Cl2 2.470(3) . ?
P1 C26 1.825(4) . ?
P1 C14 1.828(4) . ?
P1 C20 1.833(4) . ?
P2 C44 1.829(4) . ?
P2 C32 1.834(4) . ?
P2 C38 1.835(4) . ?
P3 C56 1.816(5) . ?
P3 C50 1.816(5) . ?
P3 C62 1.843(5) . ?
O1 C1 1.324(4) . ?
O2 C9 1.303(5) . ?
N1 C7 1.306(5) . ?
N1 N2 1.398(4) . ?
N2 C9 1.340(5) . ?
N3 C9 1.358(5) . ?
N3 C12 1.460(6) . ?
N3 C10 1.464(6) . ?
C1 C6 1.413(6) . ?
C1 C2 1.417(5) . ?
C2 C3 1.363(6) . ?
C3 C4 1.391(7) . ?
C4 C5 1.370(7) . ?
C5 C6 1.413(6) . ?
C6 C7 1.463(5) . ?
C7 C8 1.511(5) . ?
C10 C11 1.536(8) . ?
C12 C13 1.513(7) . ?
C14 C19 1.395(6) . ?
C14 C15 1.401(6) . ?
C15 C16 1.391(6) . ?
C16 C17 1.381(7) . ?
C17 C18 1.370(7) . ?
C18 C19 1.395(6) . ?
C20 C21 1.394(6) . ?
C20 C25 1.395(6) . ?
C21 C22 1.384(6) . ?
C22 C23 1.398(7) . ?
C23 C24 1.372(7) . ?
C24 C25 1.388(6) . ?
C26 C27 1.386(6) . ?
C26 C31 1.404(6) . ?
C27 C28 1.394(6) . ?
C28 C29 1.386(6) . ?
C29 C30 1.376(6) . ?
C30 C31 1.386(6) . ?
C32 C37 1.386(6) . ?
C32 C33 1.393(6) . ?
C33 C34 1.385(6) . ?
C34 C35 1.380(7) . ?
C35 C36 1.365(7) . ?
C36 C37 1.395(6) . ?
C38 C43 1.393(6) . ?
C38 C39 1.395(6) . ?
C39 C40 1.392(6) . ?
C40 C41 1.367(7) . ?
C41 C42 1.388(7) . ?
C42 C43 1.395(6) . ?
C44 C49 1.391(6) . ?
C44 C45 1.391(6) . ?
C45 C46 1.406(6) . ?
C46 C47 1.366(7) . ?
C47 C48 1.383(7) . ?
C48 C49 1.386(6) . ?
C50 C51 1.373(8) . ?
C50 C55 1.409(7) . ?
C51 C52 1.392(8) . ?
C52 C53 1.392(10) . ?
C53 C54 1.383(10) . ?
C54 C55 1.362(8) . ?
C56 C61 1.380(8) . ?
C56 C57 1.387(7) . ?
C57 C58 1.385(7) . ?
C58 C59 1.357(8) . ?
C59 C60 1.364(7) . ?
C60 C61 1.390(8) . ?
C62 C67 1.394(7) . ?
C62 C63 1.399(8) . ?
C63 C64 1.376(8) . ?
C64 C65 1.393(9) . ?
C65 C66 1.371(9) . ?
C66 C67 1.397(7) . ?
