#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:24:16 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179139 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/00/4310009.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_4310009
loop_
_publ_author_name
'F. Albert Cotton'
'Carlos A. Murillo'
'Salah E. Stiriba'
'Xiaoping Wang'
'Rongmin Yu'
_publ_section_title
;
Chiral Organometallic Triangles with Rh-Rh Bonds. 2. Compounds Prepared
from Enantiopure cis-Rh2(C6H4PPh2)2(OAc)2(HOAc)2 and Their Catalytic
Potentials
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8223
_journal_page_last               8233
_journal_paper_doi               10.1021/ic051282c
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C140 H111 Cl2 N5 O12 P6 Rh6, 2(C H2 Cl2)'
_chemical_formula_sum            'C142 H115 Cl6 N5 O12 P6 Rh6'
_chemical_formula_weight         3099.37
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 112.984(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.259(2)
_cell_length_b                   27.059(4)
_cell_length_c                   17.021(2)
_cell_measurement_reflns_used    7696
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      2.50
_cell_volume                     6469.9(15)
_computing_cell_refinement       SAINT
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Siemens, 1996)'
_computing_publication_material  CIFTAB
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0226
_diffrn_reflns_av_sigmaI/netI    0.0401
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            42027
_diffrn_reflns_theta_full        27.62
_diffrn_reflns_theta_max         27.62
_diffrn_reflns_theta_min         1.45
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.010
_exptl_absorpt_correction_T_max  0.9513
_exptl_absorpt_correction_T_min  0.7317
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.591
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3120
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.266
_refine_diff_density_min         -0.786
_refine_diff_density_rms         0.097
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.022(16)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1564
_refine_ls_number_reflns         23577
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.090
_refine_ls_R_factor_all          0.0406
_refine_ls_R_factor_gt           0.0344
_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)+(0.0418P)²+5.9249P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0838
_refine_ls_wR_factor_ref         0.0885
_reflns_number_gt                21491
_reflns_number_total             23577
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic051282csi20050729_010330_06.cif
_cod_data_source_block           RRR4
_cod_original_cell_volume        6469.7(15)
_cod_database_code               4310009
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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 0.14681(2) -0.090604(14) 0.26363(2) 0.01888(8) Uani 1 1 d . . .
Rh2 Rh 0.27797(2) -0.056099(14) 0.22413(2) 0.01873(8) Uani 1 1 d . . .
Rh3 Rh 0.01751(2) 0.131645(14) 0.35983(2) 0.01857(8) Uani 1 1 d . . .
Rh4 Rh 0.13272(3) 0.173237(14) 0.30461(2) 0.01865(8) Uani 1 1 d . . .
Rh5 Rh 0.38365(3) 0.005602(15) 0.65974(2) 0.02077(8) Uani 1 1 d . . .
Rh6 Rh 0.49340(2) 0.057291(14) 0.61035(2) 0.01987(8) Uani 1 1 d . . .
P1 P 0.22203(9) -0.16267(5) 0.28804(8) 0.0222(3) Uani 1 1 d . . .
P2 P 0.18058(9) -0.05763(5) 0.08825(7) 0.0222(2) Uani 1 1 d . . .
P3 P -0.09866(9) 0.14574(5) 0.23232(8) 0.0222(3) Uani 1 1 d . . .
P4 P 0.12142(9) 0.23995(5) 0.37553(8) 0.0211(3) Uani 1 1 d . . .
P5 P 0.41182(9) 0.06037(6) 0.76331(8) 0.0263(3) Uani 1 1 d . . .
P6 P 0.59793(8) -0.00285(5) 0.65799(8) 0.0226(3) Uani 1 1 d . . .
O1 O 0.0910(2) -0.01763(13) 0.2415(2) 0.0218(7) Uani 1 1 d . . .
O2 O 0.2288(2) 0.01581(13) 0.2488(2) 0.0236(7) Uani 1 1 d . . .
O3 O 0.0755(2) 0.06469(13) 0.3281(2) 0.0241(7) Uani 1 1 d . . .
O4 O 0.1330(3) 0.10508(13) 0.2428(2) 0.0265(8) Uani 1 1 d . . .
O5 O 0.2338(2) -0.05810(14) 0.3867(2) 0.0237(7) Uani 1 1 d . . .
O6 O 0.3639(2) -0.05138(14) 0.3567(2) 0.0239(7) Uani 1 1 d . . .
O7 O 0.4152(2) 0.01947(13) 0.4880(2) 0.0232(7) Uani 1 1 d . . .
O8 O 0.3626(2) -0.03953(13) 0.5530(2) 0.0252(7) Uani 1 1 d . . .
O9 O 0.1381(2) 0.12344(14) 0.4767(2) 0.0245(8) Uani 1 1 d . . .
O10 O 0.2389(2) 0.13425(13) 0.4113(2) 0.0223(7) Uani 1 1 d . . .
O11 O 0.2718(2) 0.05133(14) 0.5676(2) 0.0246(8) Uani 1 1 d . . .
O12 O 0.3785(2) 0.10825(13) 0.5654(2) 0.0245(7) Uani 1 1 d . . .
N1 N 0.0394(3) -0.10424(17) 0.3202(3) 0.0270(10) Uani 1 1 d . . .
N3 N -0.0515(3) 0.07854(17) 0.4219(3) 0.0283(10) Uani 1 1 d . . .
N4 N 0.2551(3) 0.19388(18) 0.2653(3) 0.0300(10) Uani 1 1 d . . .
N5 N 0.2583(3) -0.03617(18) 0.6662(3) 0.0290(10) Uani 1 1 d . . .
N6 N 0.5530(3) 0.10649(17) 0.5323(3) 0.0269(9) Uani 1 1 d . . .
C1 C 0.3313(3) -0.1217(2) 0.2109(3) 0.0246(11) Uani 1 1 d . . .
C2 C 0.3013(3) -0.1672(2) 0.2330(3) 0.0247(11) Uani 1 1 d . . .
C3 C 0.3363(4) -0.2126(2) 0.2184(3) 0.0311(12) Uani 1 1 d . . .
H3A H 0.3140 -0.2422 0.2330 0.037 Uiso 1 1 calc R . .
C4 C 0.4033(4) -0.2139(2) 0.1828(4) 0.0359(13) Uani 1 1 d . . .
H4A H 0.4256 -0.2444 0.1716 0.043 Uiso 1 1 calc R . .
C5 C 0.4377(4) -0.1704(2) 0.1636(3) 0.0324(13) Uani 1 1 d . . .
H5A H 0.4844 -0.1713 0.1404 0.039 Uiso 1 1 calc R . .
C6 C 0.4035(4) -0.1251(2) 0.1782(3) 0.0292(12) Uani 1 1 d . . .
H6A H 0.4291 -0.0959 0.1661 0.035 Uiso 1 1 calc R . .
C7 C 0.1555(4) -0.2213(2) 0.2610(3) 0.0264(11) Uani 1 1 d . . .
C8 C 0.1554(4) -0.2548(2) 0.3234(4) 0.0423(15) Uani 1 1 d . . .
H8A H 0.1895 -0.2472 0.3812 0.051 Uiso 1 1 calc R . .
C9 C 0.1064(5) -0.2986(3) 0.3021(5) 0.058(2) Uani 1 1 d . . .
H9A H 0.1041 -0.3197 0.3452 0.069 Uiso 1 1 calc R . .
C10 C 0.0603(5) -0.3119(3) 0.2168(5) 0.0566(19) Uani 1 1 d . . .
H10A H 0.0306 -0.3429 0.2018 0.068 Uiso 1 1 calc R . .
C11 C 0.0588(5) -0.2790(3) 0.1548(4) 0.0492(17) Uani 1 1 d . . .
H11A H 0.0254 -0.2871 0.0971 0.059 Uiso 1 1 calc R . .
C12 C 0.1060(4) -0.2339(2) 0.1762(4) 0.0360(13) Uani 1 1 d . . .
H12A H 0.1042 -0.2119 0.1329 0.043 Uiso 1 1 calc R . .
C13 C 0.2963(3) -0.17262(19) 0.4019(3) 0.0248(10) Uani 1 1 d . . .
C14 C 0.2644(4) -0.1566(2) 0.4632(3) 0.0310(12) Uani 1 1 d . . .
H14A H 0.2054 -0.1404 0.4462 0.037 Uiso 1 1 calc R . .
C15 C 0.3181(4) -0.1641(3) 0.5494(4) 0.0395(14) Uani 1 1 d . . .
H15A H 0.2965 -0.1520 0.5905 0.047 Uiso 1 1 calc R . .
C16 C 0.4023(4) -0.1892(3) 0.5745(4) 0.0439(16) Uani 1 1 d . . .
H16A H 0.4378 -0.1953 0.6327 0.053 Uiso 1 1 calc R . .
C17 C 0.4346(4) -0.2054(3) 0.5147(4) 0.0454(16) Uani 1 1 d . . .
H17A H 0.4929 -0.2224 0.5322 0.054 Uiso 1 1 calc R . .
C18 C 0.3828(4) -0.1972(2) 0.4287(4) 0.0359(13) Uani 1 1 d . . .
H18A H 0.4064 -0.2082 0.3883 0.043 Uiso 1 1 calc R . .
C19 C 0.0709(3) -0.0896(2) 0.0720(3) 0.0249(10) Uani 1 1 d . . .
C20 C 0.0577(3) -0.10845(19) 0.1435(3) 0.0231(10) Uani 1 1 d . . .
C21 C -0.0290(4) -0.1333(2) 0.1252(4) 0.0316(12) Uani 1 1 d . . .
H21A H -0.0403 -0.1479 0.1705 0.038 Uiso 1 1 calc R . .
C22 C -0.0978(4) -0.1374(3) 0.0444(4) 0.0399(15) Uani 1 1 d . . .
H22A H -0.1545 -0.1544 0.0360 0.048 Uiso 1 1 calc R . .
C23 C -0.0853(4) -0.1169(2) -0.0254(4) 0.0387(14) Uani 1 1 d . . .
H23A H -0.1330 -0.1193 -0.0807 0.046 Uiso 1 1 calc R . .
C24 C -0.0007(4) -0.0931(2) -0.0107(3) 0.0317(12) Uani 1 1 d . . .
H24A H 0.0095 -0.0789 -0.0568 0.038 Uiso 1 1 calc R . .
C25 C 0.2288(3) -0.0874(2) 0.0163(3) 0.0256(10) Uani 1 1 d . . .
C26 C 0.1987(4) -0.1337(2) -0.0172(3) 0.0324(12) Uani 1 1 d . . .
H26A H 0.1484 -0.1492 -0.0080 0.039 Uiso 1 1 calc R . .
C27 C 0.2428(4) -0.1576(3) -0.0644(4) 0.0408(14) Uani 1 1 d . . .
H27A H 0.2214 -0.1890 -0.0874 0.049 Uiso 1 1 calc R . .
C28 C 0.3173(5) -0.1357(3) -0.0778(4) 0.0468(16) Uani 1 1 d . . .
H28A H 0.3453 -0.1518 -0.1112 0.056 Uiso 1 1 calc R . .
C29 C 0.3504(4) -0.0905(3) -0.0421(4) 0.0408(14) Uani 1 1 d . . .
H29A H 0.4026 -0.0759 -0.0496 0.049 Uiso 1 1 calc R . .
C30 C 0.3076(4) -0.0665(2) 0.0044(3) 0.0354(13) Uani 1 1 d . . .
H30A H 0.3311 -0.0356 0.0288 0.042 Uiso 1 1 calc R . .
C31 C 0.1404(4) 0.0043(2) 0.0441(3) 0.0302(11) Uani 1 1 d . . .
C32 C 0.1862(5) 0.0330(3) 0.0039(6) 0.064(2) Uani 1 1 d . . .
H32A H 0.2336 0.0190 -0.0115 0.077 Uiso 1 1 calc R . .
C33 C 0.1618(6) 0.0824(3) -0.0134(7) 0.087(3) Uani 1 1 d . . .
H33A H 0.1952 0.1017 -0.0384 0.104 Uiso 1 1 calc R . .
C34 C 0.0899(6) 0.1042(3) 0.0049(5) 0.066(2) Uani 1 1 d . . .
H34A H 0.0754 0.1379 -0.0060 0.079 Uiso 1 1 calc R . .
C35 C 0.0409(5) 0.0751(3) 0.0393(4) 0.0458(17) Uani 1 1 d . . .
H35A H -0.0102 0.0883 0.0502 0.055 Uiso 1 1 calc R . .
C36 C 0.0664(4) 0.0260(2) 0.0582(3) 0.0356(13) Uani 1 1 d . . .
H36A H 0.0314 0.0067 0.0817 0.043 Uiso 1 1 calc R . .
C37 C -0.0628(4) 0.1885(2) 0.1677(3) 0.0249(11) Uani 1 1 d . . .
C38 C 0.0349(3) 0.20063(19) 0.1958(3) 0.0234(10) Uani 1 1 d . . .
C39 C 0.0594(4) 0.2317(2) 0.1412(3) 0.0284(11) Uani 1 1 d . . .
H39A H 0.1238 0.2401 0.1567 0.034 Uiso 1 1 calc R . .
C41 C -0.1027(4) 0.2396(2) 0.0416(3) 0.0370(13) Uani 1 1 d . . .
H41A H -0.1481 0.2527 -0.0091 0.044 Uiso 1 1 calc R . .
C42 C -0.1307(4) 0.2094(2) 0.0928(3) 0.0348(13) Uani 1 1 d . . .
H42A H -0.1957 0.2027 0.0777 0.042 Uiso 1 1 calc R . .
C43 C -0.2096(4) 0.1752(3) 0.2288(3) 0.0333(13) Uani 1 1 d . . .
C44 C -0.2922(5) 0.1488(3) 0.2141(5) 0.062(2) Uani 1 1 d . . .
H44A H -0.2969 0.1149 0.2008 0.075 Uiso 1 1 calc R . .
C45 C -0.3695(6) 0.1754(4) 0.2200(7) 0.092(4) Uani 1 1 d . . .
H45A H -0.4257 0.1583 0.2129 0.111 Uiso 1 1 calc R . .
C46 C -0.3648(7) 0.2240(5) 0.2355(7) 0.094(4) Uani 1 1 d . . .
H46A H -0.4177 0.2405 0.2383 0.113 Uiso 1 1 calc R . .
C47 C -0.2881(6) 0.2482(4) 0.2468(4) 0.065(2) Uani 1 1 d . . .
H47A H -0.2865 0.2825 0.2562 0.078 Uiso 1 1 calc R . .
C48 C -0.2086(5) 0.2250(3) 0.2452(4) 0.0459(17) Uani 1 1 d . . .
H48A H -0.1530 0.2434 0.2555 0.055 Uiso 1 1 calc R . .
C49 C -0.1432(4) 0.0918(2) 0.1627(3) 0.0293(12) Uani 1 1 d . . .
C50 C -0.1150(4) 0.0447(2) 0.1925(4) 0.0353(13) Uani 1 1 d . . .
H50A H -0.0767 0.0400 0.2505 0.042 Uiso 1 1 calc R . .
C51 C -0.1416(4) 0.0043(3) 0.1390(4) 0.0496(16) Uani 1 1 d . . .
H51A H -0.1196 -0.0273 0.1606 0.060 Uiso 1 1 calc R . .
C52 C -0.2005(5) 0.0098(3) 0.0535(4) 0.0528(18) Uani 1 1 d . . .
H52A H -0.2181 -0.0177 0.0168 0.063 Uiso 1 1 calc R . .
C53 C -0.2326(6) 0.0565(3) 0.0238(5) 0.071(2) Uani 1 1 d . . .
H53A H -0.2744 0.0609 -0.0334 0.085 Uiso 1 1 calc R . .
C54 C -0.2038(6) 0.0967(3) 0.0776(4) 0.060(2) Uani 1 1 d . . .
H54A H -0.2259 0.1283 0.0560 0.072 Uiso 1 1 calc R . .
C55 C 0.0184(3) 0.2389(2) 0.4044(3) 0.0256(11) Uani 1 1 d . . .
C56 C -0.0237(3) 0.19220(19) 0.4033(3) 0.0218(10) Uani 1 1 d . . .
C57 C -0.0953(4) 0.1914(2) 0.4358(3) 0.0288(11) Uani 1 1 d . . .
H57A H -0.1232 0.1610 0.4390 0.035 Uiso 1 1 calc R . .
C58 C -0.1264(4) 0.2334(2) 0.4631(4) 0.0324(13) Uani 1 1 d . . .
H58A H -0.1737 0.2309 0.4854 0.039 Uiso 1 1 calc R . .
C59 C -0.0888(4) 0.2788(2) 0.4578(4) 0.0358(13) Uani 1 1 d . . .
H59A H -0.1125 0.3075 0.4737 0.043 Uiso 1 1 calc R . .
C60 C -0.0158(4) 0.2820(2) 0.4290(3) 0.0299(12) Uani 1 1 d . . .
H60A H 0.0108 0.3129 0.4259 0.036 Uiso 1 1 calc R . .
C61 C 0.1105(3) 0.3012(2) 0.3257(3) 0.0243(10) Uani 1 1 d . . .
C62 C 0.0279(4) 0.3134(2) 0.2559(3) 0.0270(11) Uani 1 1 d . . .
H62A H -0.0221 0.2904 0.2359 0.032 Uiso 1 1 calc R . .
C63 C 0.0179(4) 0.3587(2) 0.2155(3) 0.0310(12) Uani 1 1 d . . .
H63A H -0.0372 0.3657 0.1670 0.037 Uiso 1 1 calc R . .
C64 C 0.0888(4) 0.3933(2) 0.2465(4) 0.0394(14) Uani 1 1 d . . .
H64A H 0.0818 0.4242 0.2196 0.047 Uiso 1 1 calc R . .
C65 C 0.1709(4) 0.3829(2) 0.3176(4) 0.0442(15) Uani 1 1 d . . .
H65A H 0.2189 0.4070 0.3393 0.053 Uiso 1 1 calc R . .
C66 C 0.1821(4) 0.3371(2) 0.3566(4) 0.0346(13) Uani 1 1 d . . .
H66A H 0.2381 0.3300 0.4042 0.042 Uiso 1 1 calc R . .
C67 C 0.2245(3) 0.25074(19) 0.4770(3) 0.0248(10) Uani 1 1 d . . .
C68 C 0.2176(4) 0.2823(2) 0.5399(3) 0.0357(13) Uani 1 1 d . . .
H68A H 0.1589 0.2970 0.5321 0.043 Uiso 1 1 calc R . .
C69 C 0.2972(5) 0.2916(3) 0.6133(4) 0.0450(16) Uani 1 1 d . . .
H69A H 0.2921 0.3133 0.6545 0.054 Uiso 1 1 calc R . .
C70 C 0.3829(4) 0.2701(3) 0.6273(4) 0.0457(16) Uani 1 1 d . . .
H70A H 0.4360 0.2767 0.6778 0.055 Uiso 1 1 calc R . .
C71 C 0.3909(4) 0.2386(2) 0.5665(4) 0.0396(14) Uani 1 1 d . . .
H71A H 0.4495 0.2231 0.5764 0.048 Uiso 1 1 calc R . .
C72 C 0.3127(4) 0.2295(2) 0.4905(4) 0.0321(12) Uani 1 1 d . . .
H72A H 0.3194 0.2090 0.4486 0.039 Uiso 1 1 calc R . .
C73 C 0.5152(4) 0.0987(2) 0.7802(3) 0.0272(11) Uani 1 1 d . . .
C74 C 0.5556(4) 0.0956(2) 0.7189(3) 0.0270(11) Uani 1 1 d . . .
C75 C 0.6381(4) 0.1249(2) 0.7370(3) 0.0324(12) Uani 1 1 d . . .
H75A H 0.6672 0.1248 0.6975 0.039 Uiso 1 1 calc R . .
C76 C 0.6777(4) 0.1532(2) 0.8087(4) 0.0397(14) Uani 1 1 d . . .
H76A H 0.7333 0.1714 0.8180 0.048 Uiso 1 1 calc R . .
C77 C 0.6357(5) 0.1551(2) 0.8675(4) 0.0444(16) Uani 1 1 d . . .
H77A H 0.6625 0.1748 0.9167 0.053 Uiso 1 1 calc R . .
C78 C 0.5544(4) 0.1281(2) 0.8536(4) 0.0390(14) Uani 1 1 d . . .
H78A H 0.5255 0.1293 0.8932 0.047 Uiso 1 1 calc R . .
C79 C 0.4367(4) 0.0428(2) 0.8748(3) 0.0314(12) Uani 1 1 d . . .
C80 C 0.3909(4) 0.0642(3) 0.9230(4) 0.0471(17) Uani 1 1 d . . .
H80A H 0.3373 0.0845 0.8966 0.056 Uiso 1 1 calc R . .
C81 C 0.4251(5) 0.0554(3) 1.0105(4) 0.055(2) Uani 1 1 d . . .
H81A H 0.3932 0.0691 1.0427 0.066 Uiso 1 1 calc R . .
C82 C 0.5034(5) 0.0276(3) 1.0497(4) 0.056(2) Uani 1 1 d . . .
H82A H 0.5264 0.0230 1.1091 0.067 Uiso 1 1 calc R . .
C83 C 0.5495(5) 0.0062(3) 1.0042(4) 0.059(2) Uani 1 1 d . . .
H83A H 0.6032 -0.0138 1.0317 0.071 Uiso 1 1 calc R . .
C84 C 0.5159(4) 0.0143(3) 0.9158(4) 0.0440(16) Uani 1 1 d . . .
H84A H 0.5481 0.0000 0.8843 0.053 Uiso 1 1 calc R . .
C85 C 0.3094(3) 0.10260(16) 0.7371(3) 0.0406(15) Uani 1 1 d G . .
C86 C 0.3161(3) 0.15158(17) 0.7154(3) 0.066(2) Uani 1 1 d G . .
H86A H 0.3748 0.1643 0.7188 0.079 Uiso 1 1 calc R . .
C87 C 0.2360(4) 0.18171(16) 0.6887(4) 0.097(4) Uani 1 1 d G . .
H87A H 0.2405 0.2148 0.6741 0.116 Uiso 1 1 calc R . .
C88 C 0.1492(3) 0.1629(2) 0.6837(4) 0.088(3) Uani 1 1 d G . .
H88A H 0.0950 0.1832 0.6657 0.106 Uiso 1 1 calc R . .
C89 C 0.1425(3) 0.1139(2) 0.7054(4) 0.073(3) Uani 1 1 d G . .
H89A H 0.0838 0.1011 0.7020 0.088 Uiso 1 1 calc R . .
C90 C 0.2226(3) 0.08375(15) 0.7321(3) 0.062(2) Uani 1 1 d G . .
H90A H 0.2181 0.0506 0.7467 0.074 Uiso 1 1 calc R . .
C91 C 0.5741(4) -0.04555(19) 0.7290(3) 0.0266(11) Uani 1 1 d . . .
C92 C 0.4828(4) -0.0428(2) 0.7319(3) 0.0258(11) Uani 1 1 d . . .
C93 C 0.4629(4) -0.0794(2) 0.7815(4) 0.0407(15) Uani 1 1 d . . .
H93A H 0.4019 -0.0806 0.7828 0.049 Uiso 1 1 calc R . .
C94 C 0.5307(5) -0.1138(3) 0.8285(4) 0.0473(17) Uani 1 1 d . . .
H94A H 0.5151 -0.1372 0.8617 0.057 Uiso 1 1 calc R . .
C95 C 0.6200(4) -0.1142(2) 0.8273(4) 0.0415(15) Uani 1 1 d . . .
H95A H 0.6655 -0.1375 0.8594 0.050 Uiso 1 1 calc R . .
C96 C 0.6416(4) -0.0800(2) 0.7786(4) 0.0363(14) Uani 1 1 d . . .
H96A H 0.7031 -0.0795 0.7784 0.044 Uiso 1 1 calc R . .
C97 C 0.5996(3) -0.0413(2) 0.5700(3) 0.0266(11) Uani 1 1 d . . .
C98 C 0.5852(4) -0.0923(2) 0.5662(4) 0.0333(12) Uani 1 1 d . . .
H98A H 0.5738 -0.1085 0.6101 0.040 Uiso 1 1 calc R . .
C99 C 0.5878(4) -0.1190(2) 0.4979(4) 0.0437(15) Uani 1 1 d . . .
H99A H 0.5805 -0.1535 0.4969 0.052 Uiso 1 1 calc R . .
C100 C 0.6007(4) -0.0959(2) 0.4313(4) 0.0414(15) Uani 1 1 d . . .
H10B H 0.6017 -0.1145 0.3850 0.050 Uiso 1 1 calc R . .
C101 C 0.6121(4) -0.0460(2) 0.4331(4) 0.0375(14) Uani 1 1 d . . .
H10C H 0.6206 -0.0300 0.3876 0.045 Uiso 1 1 calc R . .
C102 C 0.6113(4) -0.0187(2) 0.5014(3) 0.0306(12) Uani 1 1 d . . .
H10D H 0.6188 0.0158 0.5015 0.037 Uiso 1 1 calc R . .
C103 C 0.7245(3) 0.0124(2) 0.7176(3) 0.0285(11) Uani 1 1 d . . .
C104 C 0.7554(4) 0.0242(3) 0.8037(4) 0.0447(16) Uani 1 1 d . . .
H10E H 0.7116 0.0235 0.8301 0.054 Uiso 1 1 calc R . .
C105 C 0.8499(5) 0.0370(3) 0.8520(4) 0.0554(19) Uani 1 1 d . . .
H10F H 0.8700 0.0438 0.9106 0.067 Uiso 1 1 calc R . .
C106 C 0.9123(4) 0.0395(3) 0.8134(5) 0.0506(18) Uani 1 1 d . . .
H10G H 0.9758 0.0485 0.8456 0.061 Uiso 1 1 calc R . .
C107 C 0.8845(4) 0.0290(3) 0.7272(4) 0.0462(16) Uani 1 1 d . . .
H10H H 0.9281 0.0314 0.7008 0.055 Uiso 1 1 calc R . .
C108 C 0.7901(4) 0.0148(2) 0.6805(4) 0.0374(14) Uani 1 1 d . . .
H10I H 0.7710 0.0067 0.6225 0.045 Uiso 1 1 calc R . .
C109 C 0.1484(3) 0.01722(19) 0.2538(3) 0.0219(10) Uani 1 1 d . . .
C110 C 0.1164(3) 0.06709(19) 0.2767(3) 0.0230(10) Uani 1 1 d . . .
C111 C 0.3183(3) -0.04575(18) 0.4033(3) 0.0206(10) Uani 1 1 d . . .
C112 C 0.3707(3) -0.01919(19) 0.4887(3) 0.0219(10) Uani 1 1 d . . .
C113 C 0.2176(3) 0.11861(19) 0.4708(3) 0.0220(10) Uani 1 1 d . . .
C114 C 0.2954(3) 0.09021(19) 0.5419(3) 0.0220(10) Uani 1 1 d . . .
C115 C 0.0069(4) -0.1479(2) 0.3303(4) 0.0330(12) Uani 1 1 d . . .
H11B H 0.0334 -0.1763 0.3166 0.040 Uiso 1 1 calc R . .
C116 C -0.0652(4) -0.1534(2) 0.3604(4) 0.0386(14) Uani 1 1 d . . .
H11C H -0.0860 -0.1852 0.3677 0.046 Uiso 1 1 calc R . .
C117 C -0.1053(4) -0.1126(3) 0.3792(4) 0.0414(15) Uani 1 1 d . . .
H11D H -0.1550 -0.1155 0.3985 0.050 Uiso 1 1 calc R . .
C118 C -0.0715(5) -0.0670(3) 0.3694(4) 0.0441(16) Uani 1 1 d . . .
H11E H -0.0978 -0.0380 0.3817 0.053 Uiso 1 1 calc R . .
C119 C 0.0017(4) -0.0642(2) 0.3410(3) 0.0327(12) Uani 1 1 d . . .
H11F H 0.0261 -0.0330 0.3362 0.039 Uiso 1 1 calc R . .
C120 C 0.0030(4) 0.0546(2) 0.4923(4) 0.0355(13) Uani 1 1 d . . .
H12B H 0.0692 0.0594 0.5124 0.043 Uiso 1 1 calc R . .
C121 C -0.0310(5) 0.0235(3) 0.5375(5) 0.0498(17) Uani 1 1 d . . .
H12C H 0.0107 0.0088 0.5883 0.060 Uiso 1 1 calc R . .
C122 C -0.1279(5) 0.0143(3) 0.5067(5) 0.0533(19) Uani 1 1 d . . .
H12D H -0.1535 -0.0072 0.5356 0.064 Uiso 1 1 calc R . .
C123 C -0.1868(5) 0.0380(3) 0.4314(5) 0.0523(19) Uani 1 1 d . . .
H12E H -0.2529 0.0327 0.4083 0.063 Uiso 1 1 calc R . .
C124 C -0.1456(4) 0.0690(2) 0.3923(4) 0.0384(14) Uani 1 1 d . . .
H12F H -0.1853 0.0846 0.3416 0.046 Uiso 1 1 calc R . .
C125 C 0.2774(5) 0.1618(3) 0.2161(4) 0.0518(18) Uani 1 1 d . . .
H12G H 0.2521 0.1296 0.2094 0.062 Uiso 1 1 calc R . .
C126 C 0.3354(6) 0.1742(4) 0.1754(5) 0.075(3) Uani 1 1 d . . .
H12H H 0.3501 0.1510 0.1414 0.090 Uiso 1 1 calc R . .
C127 C 0.3731(6) 0.2223(5) 0.1850(5) 0.083(3) Uani 1 1 d . . .
H12I H 0.4114 0.2321 0.1559 0.100 Uiso 1 1 calc R . .
C128 C 0.3533(5) 0.2540(3) 0.2366(5) 0.0540(19) Uani 1 1 d . . .
H12J H 0.3789 0.2861 0.2457 0.065 Uiso 1 1 calc R . .
C129 C 0.2941(4) 0.2381(2) 0.2760(4) 0.0383(14) Uani 1 1 d . . .
H12K H 0.2811 0.2602 0.3126 0.046 Uiso 1 1 calc R . .
C130 C 0.2392(4) -0.0426(2) 0.7357(3) 0.0346(13) Uani 1 1 d . . .
H13A H 0.2815 -0.0290 0.7875 0.042 Uiso 1 1 calc R . .
C131 C 0.1614(4) -0.0678(3) 0.7354(4) 0.0444(16) Uani 1 1 d . . .
H13B H 0.1504 -0.0711 0.7857 0.053 Uiso 1 1 calc R . .
C132 C 0.0990(4) -0.0887(3) 0.6595(4) 0.0463(16) Uani 1 1 d . . .
H13C H 0.0460 -0.1071 0.6576 0.056 Uiso 1 1 calc R . .
C40 C -0.0071(4) 0.2506(2) 0.0657(3) 0.0341(13) Uani 1 1 d . . .
H40A H 0.0127 0.2708 0.0308 0.041 Uiso 1 1 calc R . .
C133 C 0.1168(4) -0.0816(2) 0.5883(4) 0.0404(14) Uani 1 1 d . . .
H13D H 0.0756 -0.0950 0.5358 0.048 Uiso 1 1 calc R . .
C134 C 0.1968(4) -0.0545(2) 0.5931(3) 0.0333(12) Uani 1 1 d . . .
H13E H 0.2073 -0.0491 0.5430 0.040 Uiso 1 1 calc R . .
C135 C 0.6448(4) 0.1124(2) 0.5449(4) 0.0328(12) Uani 1 1 d . . .
H13F H 0.6900 0.0931 0.5873 0.039 Uiso 1 1 calc R . .
C136 C 0.6773(4) 0.1444(2) 0.5007(4) 0.0394(14) Uani 1 1 d . . .
H13G H 0.7427 0.1468 0.5125 0.047 Uiso 1 1 calc R . .
C137 C 0.6124(5) 0.1735(3) 0.4381(5) 0.0526(17) Uani 1 1 d . . .
H13H H 0.6322 0.1961 0.4065 0.063 Uiso 1 1 calc R . .
C138 C 0.5183(5) 0.1680(3) 0.4239(4) 0.0503(17) Uani 1 1 d . . .
H13I H 0.4725 0.1880 0.3830 0.060 Uiso 1 1 calc R . .
C140 C 0.4893(4) 0.1330(2) 0.4695(4) 0.0352(13) Uani 1 1 d . . .
H14B H 0.4240 0.1281 0.4558 0.042 Uiso 1 1 calc R . .
C141 C 0.4427(4) 0.0399(3) 0.2973(4) 0.0442(16) Uani 1 1 d . . .
H14C H 0.4502 0.0213 0.3490 0.053 Uiso 1 1 calc R . .
H14D H 0.3909 0.0637 0.2862 0.053 Uiso 1 1 calc R . .
Cl1 Cl 0.54874(14) 0.07111(8) 0.31208(13) 0.0654(5) Uani 1 1 d . . .
Cl2 Cl 0.41484(12) -0.00074(8) 0.21061(10) 0.0554(5) Uani 1 1 d . . .
C2S C 0.2410(19) 0.2219(9) 0.8900(13) 0.136(10) Uiso 0.50 1 d PD A 1
H2SA H 0.2225 0.1900 0.8612 0.164 Uiso 0.50 1 calc PR A 1
H2SB H 0.3100 0.2257 0.9087 0.164 Uiso 0.50 1 calc PR A 1
Cl3 Cl 0.1790(5) 0.2724(3) 0.8173(5) 0.120(2) Uiso 0.50 1 d PD A 1
Cl4 Cl 0.2107(5) 0.2247(3) 0.9712(4) 0.113(2) Uiso 0.50 1 d PD A 1
C4S C 0.5307(12) 0.2334(5) 0.0086(13) 0.084(6) Uiso 0.50 1 d PD B 2
H4SA H 0.5923 0.2346 0.0572 0.100 Uiso 0.50 1 calc PR B 2
H4SB H 0.5428 0.2345 -0.0438 0.100 Uiso 0.50 1 calc PR B 2
Cl7 Cl 0.4755(6) 0.1805(4) 0.0116(5) 0.154(3) Uiso 0.50 1 d PD B 2
Cl8 Cl 0.4690(6) 0.2806(3) 0.0118(5) 0.141(3) Uiso 0.50 1 d PD B 2
C3S C 0.2837(9) 0.3905(6) 0.8344(8) 0.136(5) Uiso 1 1 d D . .
H3SA H 0.2267 0.4084 0.8316 0.163 Uiso 1 1 calc R . .
H3SB H 0.2627 0.3591 0.8043 0.163 Uiso 1 1 calc R . .
Cl5 Cl 0.3413(3) 0.42561(18) 0.7802(3) 0.1527(15) Uiso 1 1 d D . .
Cl6 Cl 0.3477(5) 0.3793(3) 0.9313(5) 0.247(3) Uiso 1 1 d D . .
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
C20 Rh1 O1 88.73(17) . . ?
C20 Rh1 O5 169.88(18) . . ?
O1 Rh1 O5 81.21(13) . . ?
C20 Rh1 P1 94.24(15) . . ?
O1 Rh1 P1 172.90(9) . . ?
O5 Rh1 P1 95.64(10) . . ?
C20 Rh1 N1 94.55(18) . . ?
O1 Rh1 N1 85.37(15) . . ?
O5 Rh1 N1 85.77(14) . . ?
P1 Rh1 N1 100.80(12) . . ?
C20 Rh1 Rh2 96.26(14) . . ?
O1 Rh1 Rh2 85.04(9) . . ?
O5 Rh1 Rh2 81.86(9) . . ?
P1 Rh1 Rh2 88.23(4) . . ?
N1 Rh1 Rh2 165.36(12) . . ?
C1 Rh2 O6 93.64(17) . . ?
C1 Rh2 O2 175.41(16) . . ?
O6 Rh2 O2 81.85(13) . . ?
C1 Rh2 P2 90.14(14) . . ?
O6 Rh2 P2 175.68(10) . . ?
O2 Rh2 P2 94.41(9) . . ?
C1 Rh2 Rh1 95.80(15) . . ?
O6 Rh2 Rh1 87.94(9) . . ?
O2 Rh2 Rh1 84.88(9) . . ?
P2 Rh2 Rh1 89.58(4) . . ?
C1 Rh2 Cl2 97.06(16) . . ?
O6 Rh2 Cl2 82.99(10) . . ?
O2 Rh2 Cl2 81.65(10) . . ?
P2 Rh2 Cl2 98.65(5) . . ?
Rh1 Rh2 Cl2 164.69(4) . . ?
C56 Rh3 O9 91.24(16) . . ?
C56 Rh3 O3 173.00(16) . . ?
O9 Rh3 O3 81.83(13) . . ?
C56 Rh3 P3 88.56(14) . . ?
O9 Rh3 P3 173.49(10) . . ?
O3 Rh3 P3 98.43(9) . . ?
C56 Rh3 N3 94.36(18) . . ?
O9 Rh3 N3 83.58(14) . . ?
O3 Rh3 N3 84.02(14) . . ?
P3 Rh3 N3 102.93(12) . . ?
C56 Rh3 Rh4 97.84(14) . . ?
O9 Rh3 Rh4 85.51(9) . . ?
O3 Rh3 Rh4 82.57(9) . . ?
P3 Rh3 Rh4 88.07(4) . . ?
N3 Rh3 Rh4 163.78(11) . . ?
C38 Rh4 O4 90.48(17) . . ?
C38 Rh4 O10 171.67(17) . . ?
O4 Rh4 O10 81.23(13) . . ?
C38 Rh4 P4 90.78(15) . . ?
O4 Rh4 P4 173.20(10) . . ?
O10 Rh4 P4 97.55(10) . . ?
C38 Rh4 N4 92.17(18) . . ?
O4 Rh4 N4 84.70(15) . . ?
O10 Rh4 N4 86.30(14) . . ?
P4 Rh4 N4 101.92(13) . . ?
C38 Rh4 Rh3 97.54(14) . . ?
O4 Rh4 Rh3 86.23(9) . . ?
O10 Rh4 Rh3 82.79(8) . . ?
P4 Rh4 Rh3 86.98(4) . . ?
N4 Rh4 Rh3 166.76(12) . . ?
C92 Rh5 O8 88.49(17) . . ?
C92 Rh5 O11 172.49(17) . . ?
O8 Rh5 O11 84.04(13) . . ?
C92 Rh5 P5 94.84(15) . . ?
O8 Rh5 P5 172.68(10) . . ?
O11 Rh5 P5 92.68(10) . . ?
C92 Rh5 N5 95.38(19) . . ?
O8 Rh5 N5 84.54(15) . . ?
O11 Rh5 N5 83.10(14) . . ?
P5 Rh5 N5 101.60(12) . . ?
C92 Rh5 Rh6 97.07(15) . . ?
O8 Rh5 Rh6 86.14(9) . . ?
O11 Rh5 Rh6 83.30(9) . . ?
P5 Rh5 Rh6 86.98(4) . . ?
N5 Rh5 Rh6 164.23(11) . . ?
C74 Rh6 O12 91.36(18) . . ?
C74 Rh6 P6 91.64(15) . . ?
O12 Rh6 P6 172.10(10) . . ?
C74 Rh6 O7 175.31(18) . . ?
O12 Rh6 O7 83.96(13) . . ?
P6 Rh6 O7 92.98(10) . . ?
C74 Rh6 N6 94.62(19) . . ?
O12 Rh6 N6 82.72(14) . . ?
P6 Rh6 N6 104.32(12) . . ?
O7 Rh6 N6 85.06(14) . . ?
C74 Rh6 Rh5 96.62(15) . . ?
O12 Rh6 Rh5 85.37(10) . . ?
P6 Rh6 Rh5 87.02(4) . . ?
O7 Rh6 Rh5 82.78(9) . . ?
N6 Rh6 Rh5 163.79(11) . . ?
C2 P1 C7 103.2(2) . . ?
C2 P1 C13 106.0(2) . . ?
C7 P1 C13 100.9(2) . . ?
C2 P1 Rh1 111.45(18) . . ?
C7 P1 Rh1 121.06(17) . . ?
C13 P1 Rh1 112.71(17) . . ?
C19 P2 C31 103.4(2) . . ?
C19 P2 C25 106.0(2) . . ?
C31 P2 C25 106.4(2) . . ?
C19 P2 Rh2 111.97(16) . . ?
C31 P2 Rh2 113.03(17) . . ?
C25 P2 Rh2 115.12(16) . . ?
C37 P3 C49 103.8(2) . . ?
C37 P3 C43 101.2(3) . . ?
C49 P3 C43 102.6(3) . . ?
C37 P3 Rh3 112.56(17) . . ?
C49 P3 Rh3 116.41(18) . . ?
C43 P3 Rh3 118.29(17) . . ?
C55 P4 C61 101.9(2) . . ?
C55 P4 C67 105.0(2) . . ?
C61 P4 C67 100.3(2) . . ?
C55 P4 Rh4 113.18(19) . . ?
C61 P4 Rh4 119.66(17) . . ?
C67 P4 Rh4 114.74(17) . . ?
C73 P5 C85 106.6(2) . . ?
C73 P5 C79 99.6(2) . . ?
C85 P5 C79 102.9(2) . . ?
C73 P5 Rh5 113.32(17) . . ?
C85 P5 Rh5 109.84(15) . . ?
C79 P5 Rh5 122.9(2) . . ?
C91 P6 C97 104.7(3) . . ?
C91 P6 C103 102.5(2) . . ?
C97 P6 C103 103.4(2) . . ?
C91 P6 Rh6 114.37(18) . . ?
C97 P6 Rh6 110.99(17) . . ?
C103 P6 Rh6 119.31(19) . . ?
C109 O1 Rh1 117.8(3) . . ?
C109 O2 Rh2 117.1(3) . . ?
C110 O3 Rh3 119.3(3) . . ?
C110 O4 Rh4 116.4(3) . . ?
C111 O5 Rh1 120.7(3) . . ?
C111 O6 Rh2 114.6(3) . . ?
C112 O7 Rh6 118.4(3) . . ?
C112 O8 Rh5 117.2(3) . . ?
C113 O9 Rh3 116.3(3) . . ?
C113 O10 Rh4 119.7(3) . . ?
C114 O11 Rh5 118.4(3) . . ?
C114 O12 Rh6 116.5(3) . . ?
C115 N1 C119 117.9(5) . . ?
C115 N1 Rh1 125.6(4) . . ?
C119 N1 Rh1 116.4(4) . . ?
C120 N3 C124 116.4(5) . . ?
C120 N3 Rh3 119.1(4) . . ?
C124 N3 Rh3 124.6(4) . . ?
C129 N4 C125 117.7(5) . . ?
C129 N4 Rh4 124.0(4) . . ?
C125 N4 Rh4 117.4(4) . . ?
C134 N5 C130 117.6(5) . . ?
C134 N5 Rh5 116.3(3) . . ?
C130 N5 Rh5 126.1(4) . . ?
C140 N6 C135 116.8(5) . . ?
C140 N6 Rh6 116.3(3) . . ?
C135 N6 Rh6 126.9(4) . . ?
C2 C1 C6 115.4(5) . . ?
C2 C1 Rh2 123.7(4) . . ?
C6 C1 Rh2 120.9(4) . . ?
C3 C2 C1 122.1(5) . . ?
C3 C2 P1 122.1(4) . . ?
C1 C2 P1 115.6(4) . . ?
C4 C3 C2 119.9(5) . . ?
C5 C4 C3 120.0(5) . . ?
C4 C5 C6 120.3(5) . . ?
C5 C6 C1 122.0(5) . . ?
C12 C7 C8 118.0(5) . . ?
C12 C7 P1 119.8(4) . . ?
C8 C7 P1 122.2(4) . . ?
C9 C8 C7 121.5(6) . . ?
C8 C9 C10 120.0(6) . . ?
C11 C10 C9 118.9(6) . . ?
C10 C11 C12 121.1(6) . . ?
C7 C12 C11 120.3(6) . . ?
C14 C13 C18 118.2(5) . . ?
C14 C13 P1 119.6(4) . . ?
C18 C13 P1 122.1(4) . . ?
C13 C14 C15 121.0(5) . . ?
C16 C15 C14 119.9(6) . . ?
C17 C16 C15 119.7(6) . . ?
C16 C17 C18 120.9(6) . . ?
C17 C18 C13 120.2(6) . . ?
C20 C19 C24 121.5(5) . . ?
C20 C19 P2 118.6(3) . . ?
C24 C19 P2 119.8(4) . . ?
C19 C20 C21 115.0(5) . . ?
C19 C20 Rh1 121.5(4) . . ?
C21 C20 Rh1 122.8(4) . . ?
C22 C21 C20 123.1(5) . . ?
C21 C22 C23 121.3(5) . . ?
C24 C23 C22 117.6(5) . . ?
C23 C24 C19 121.4(5) . . ?
C26 C25 C30 117.9(5) . . ?
C26 C25 P2 121.2(4) . . ?
C30 C25 P2 120.3(4) . . ?
C25 C26 C27 120.2(5) . . ?
C28 C27 C26 120.8(6) . . ?
C29 C28 C27 119.7(6) . . ?
C30 C29 C28 120.0(6) . . ?
C29 C30 C25 121.3(6) . . ?
C36 C31 C32 116.8(6) . . ?
C36 C31 P2 118.9(4) . . ?
C32 C31 P2 123.9(5) . . ?
C33 C32 C31 119.9(8) . . ?
C34 C33 C32 122.3(8) . . ?
C35 C34 C33 117.7(7) . . ?
C34 C35 C36 120.0(7) . . ?
C31 C36 C35 123.0(6) . . ?
C42 C37 C38 121.2(5) . . ?
C42 C37 P3 120.9(4) . . ?
C38 C37 P3 117.9(4) . . ?
C39 C38 C37 115.6(4) . . ?
C39 C38 Rh4 122.3(4) . . ?
C37 C38 Rh4 122.1(4) . . ?
C40 C39 C38 123.0(5) . . ?
C42 C41 C40 119.4(5) . . ?
C41 C42 C37 120.7(5) . . ?
C48 C43 C44 118.5(6) . . ?
C48 C43 P3 118.6(5) . . ?
C44 C43 P3 122.8(6) . . ?
C43 C44 C45 116.8(9) . . ?
C46 C45 C44 122.1(8) . . ?
C47 C46 C45 120.3(8) . . ?
C46 C47 C48 121.4(9) . . ?
C43 C48 C47 120.9(7) . . ?
C50 C49 C54 117.2(5) . . ?
C50 C49 P3 121.0(4) . . ?
C54 C49 P3 121.7(5) . . ?
C49 C50 C51 121.4(5) . . ?
C50 C51 C52 120.7(7) . . ?
C53 C52 C51 118.3(6) . . ?
C52 C53 C54 120.3(7) . . ?
C53 C54 C49 121.8(7) . . ?
C60 C55 C56 121.7(5) . . ?
C60 C55 P4 121.8(4) . . ?
C56 C55 P4 116.5(4) . . ?
C57 C56 C55 115.3(5) . . ?
C57 C56 Rh3 122.7(4) . . ?
C55 C56 Rh3 122.0(3) . . ?
C58 C57 C56 122.9(5) . . ?
C59 C58 C57 120.4(5) . . ?
C58 C59 C60 119.7(5) . . ?
C59 C60 C55 119.8(5) . . ?
C62 C61 C66 118.0(5) . . ?
C62 C61 P4 119.8(4) . . ?
C66 C61 P4 122.3(4) . . ?
C63 C62 C61 121.4(5) . . ?
C64 C63 C62 119.7(5) . . ?
C63 C64 C65 120.3(6) . . ?
C66 C65 C64 119.9(6) . . ?
C65 C66 C61 120.6(5) . . ?
C72 C67 C68 118.6(5) . . ?
C72 C67 P4 120.1(4) . . ?
C68 C67 P4 121.2(4) . . ?
C69 C68 C67 119.9(6) . . ?
C70 C69 C68 121.5(6) . . ?
C69 C70 C71 119.4(5) . . ?
C70 C71 C72 120.6(6) . . ?
C67 C72 C71 119.9(5) . . ?
C78 C73 C74 122.4(5) . . ?
C78 C73 P5 120.5(4) . . ?
C74 C73 P5 117.0(4) . . ?
C73 C74 C75 114.5(5) . . ?
C73 C74 Rh6 121.8(4) . . ?
C75 C74 Rh6 123.5(4) . . ?
C76 C75 C74 123.7(5) . . ?
C75 C76 C77 120.0(6) . . ?
C78 C77 C76 119.6(5) . . ?
C77 C78 C73 119.8(5) . . ?
C84 C79 C80 118.6(5) . . ?
C84 C79 P5 117.0(4) . . ?
C80 C79 P5 123.2(5) . . ?
C81 C80 C79 119.6(7) . . ?
C82 C81 C80 120.9(6) . . ?
C81 C82 C83 120.8(6) . . ?
C82 C83 C84 119.2(7) . . ?
C79 C84 C83 120.9(6) . . ?
C86 C85 C90 120.0 . . ?
C86 C85 P5 120.8(3) . . ?
C90 C85 P5 119.0(3) . . ?
C85 C86 C87 120.0 . . ?
C88 C87 C86 120.0 . . ?
C87 C88 C89 120.0 . . ?
C90 C89 C88 120.0 . . ?
C89 C90 C85 120.0 . . ?
C96 C91 C92 121.1(5) . . ?
C96 C91 P6 122.3(4) . . ?
C92 C91 P6 116.6(4) . . ?
C93 C92 C91 115.5(5) . . ?
C93 C92 Rh5 122.3(4) . . ?
C91 C92 Rh5 121.9(4) . . ?
C94 C93 C92 121.9(6) . . ?
C95 C94 C93 121.2(6) . . ?
C96 C95 C94 118.7(5) . . ?
C95 C96 C91 121.4(5) . . ?
C102 C97 C98 117.7(5) . . ?
C102 C97 P6 119.0(4) . . ?
C98 C97 P6 123.3(4) . . ?
C99 C98 C97 120.1(5) . . ?
C100 C99 C98 121.2(6) . . ?
C101 C100 C99 119.3(6) . . ?
C100 C101 C102 120.5(6) . . ?
C101 C102 C97 121.2(6) . . ?
C108 C103 C104 117.6(5) . . ?
C108 C103 P6 123.4(4) . . ?
C104 C103 P6 118.9(4) . . ?
C103 C104 C105 121.7(6) . . ?
C106 C105 C104 119.2(6) . . ?
C105 C106 C107 121.4(6) . . ?
C106 C107 C108 118.5(6) . . ?
C103 C108 C107 121.6(5) . . ?
O1 C109 O2 127.0(5) . . ?
O1 C109 C110 115.7(4) . . ?
O2 C109 C110 117.2(4) . . ?
O4 C110 O3 127.4(5) . . ?
O4 C110 C109 117.5(4) . . ?
O3 C110 C109 115.1(4) . . ?
O6 C111 O5 127.0(4) . . ?
O6 C111 C112 116.4(4) . . ?
O5 C111 C112 116.6(4) . . ?
O7 C112 O8 127.2(5) . . ?
O7 C112 C111 117.9(4) . . ?
O8 C112 C111 114.9(4) . . ?
O10 C113 O9 126.1(4) . . ?
O10 C113 C114 116.4(4) . . ?
O9 C113 C114 117.5(4) . . ?
O11 C114 O12 127.3(4) . . ?
O11 C114 C113 117.4(4) . . ?
O12 C114 C113 115.2(4) . . ?
N1 C115 C116 122.5(6) . . ?
C117 C116 C115 119.5(6) . . ?
C116 C117 C118 118.4(5) . . ?
C117 C118 C119 119.0(6) . . ?
N1 C119 C118 122.7(5) . . ?
N3 C120 C121 124.3(6) . . ?
C120 C121 C122 118.7(7) . . ?
C121 C122 C123 118.2(6) . . ?
C124 C123 C122 118.3(6) . . ?
N3 C124 C123 124.1(6) . . ?
N4 C125 C126 122.1(7) . . ?
C125 C126 C127 119.2(8) . . ?
C128 C127 C126 118.7(7) . . ?
C127 C128 C129 118.3(8) . . ?
N4 C129 C128 124.0(7) . . ?
N5 C130 C131 123.4(5) . . ?
C130 C131 C132 119.0(5) . . ?
C133 C132 C131 118.1(5) . . ?
C41 C40 C39 120.1(5) . . ?
C132 C133 C134 119.7(6) . . ?
N5 C134 C133 122.2(5) . . ?
N6 C135 C136 124.8(5) . . ?
C135 C136 C137 118.8(6) . . ?
C138 C137 C136 117.5(6) . . ?
C137 C138 C140 120.7(6) . . ?
N6 C140 C138 121.2(5) . . ?
Cl2 C141 Cl1 109.2(4) . . ?
C141 Cl2 Rh2 102.8(2) . . ?
Cl4 C2S Cl3 107.3(11) . . ?
Cl8 C4S Cl7 111.9(11) . . ?
Cl6 C3S Cl5 114.5(8) . . ?
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 C20 2.022(5) . ?
Rh1 O1 2.125(3) . ?
Rh1 O5 2.180(3) . ?
Rh1 P1 2.2182(14) . ?
Rh1 N1 2.232(4) . ?
Rh1 Rh2 2.5257(6) . ?
Rh2 C1 2.002(5) . ?
Rh2 O6 2.124(3) . ?
Rh2 O2 2.184(3) . ?
Rh2 P2 2.2079(12) . ?
Rh2 Cl2 2.6523(16) . ?
Rh3 C56 1.998(5) . ?
Rh3 O9 2.129(3) . ?
Rh3 O3 2.175(4) . ?
Rh3 P3 2.2347(13) . ?
Rh3 N3 2.272(4) . ?
Rh3 Rh4 2.5555(5) . ?
Rh4 C38 2.012(5) . ?
Rh4 O4 2.124(4) . ?
Rh4 O10 2.176(3) . ?
Rh4 P4 2.2153(14) . ?
Rh4 N4 2.285(4) . ?
Rh5 C92 2.016(5) . ?
Rh5 O8 2.107(3) . ?
Rh5 O11 2.194(3) . ?
Rh5 P5 2.2129(14) . ?
Rh5 N5 2.261(4) . ?
Rh5 Rh6 2.5627(6) . ?
Rh6 C74 2.005(5) . ?
Rh6 O12 2.125(3) . ?
Rh6 P6 2.1998(14) . ?
Rh6 O7 2.206(3) . ?
Rh6 N6 2.304(4) . ?
P1 C2 1.800(5) . ?
P1 C7 1.842(5) . ?
P1 C13 1.843(5) . ?
P2 C19 1.806(5) . ?
P2 C31 1.840(6) . ?
P2 C25 1.841(5) . ?
P3 C37 1.821(5) . ?
P3 C49 1.835(6) . ?
P3 C43 1.850(5) . ?
P4 C55 1.821(5) . ?
P4 C61 1.839(5) . ?
P4 C67 1.849(5) . ?
P5 C73 1.815(5) . ?
P5 C85 1.844(3) . ?
P5 C79 1.847(5) . ?
P6 C91 1.809(5) . ?
P6 C97 1.831(5) . ?
P6 C103 1.844(5) . ?
O1 C109 1.248(6) . ?
O2 C109 1.263(6) . ?
O3 C110 1.259(6) . ?
O4 C110 1.252(6) . ?
O5 C111 1.253(6) . ?
O6 C111 1.253(5) . ?
O7 C112 1.249(6) . ?
O8 C112 1.274(6) . ?
O9 C113 1.262(5) . ?
O10 C113 1.252(6) . ?
O11 C114 1.245(6) . ?
O12 C114 1.269(6) . ?
N1 C115 1.318(7) . ?
N1 C119 1.336(7) . ?
N3 C120 1.329(7) . ?
N3 C124 1.348(7) . ?
N4 C129 1.316(8) . ?
N4 C125 1.340(8) . ?
N5 C134 1.328(7) . ?
N5 C130 1.335(7) . ?
N6 C140 1.338(7) . ?
N6 C135 1.341(7) . ?
C1 C2 1.414(8) . ?
C1 C6 1.419(7) . ?
C2 C3 1.400(7) . ?
C3 C4 1.379(8) . ?
C4 C5 1.378(8) . ?
C5 C6 1.391(8) . ?
C7 C12 1.385(7) . ?
C7 C8 1.398(8) . ?
C8 C9 1.372(9) . ?
C9 C10 1.391(10) . ?
C10 C11 1.374(9) . ?
C11 C12 1.390(8) . ?
C13 C14 1.383(7) . ?
C13 C18 1.386(7) . ?
C14 C15 1.388(8) . ?
C15 C16 1.366(9) . ?
C16 C17 1.365(9) . ?
C17 C18 1.384(8) . ?
C19 C20 1.406(7) . ?
C19 C24 1.407(7) . ?
C20 C21 1.407(7) . ?
C21 C22 1.371(8) . ?
C22 C23 1.389(8) . ?
C23 C24 1.376(8) . ?
C25 C26 1.380(8) . ?
C25 C30 1.413(7) . ?
C26 C27 1.391(8) . ?
C27 C28 1.377(9) . ?
C28 C29 1.373(9) . ?
C29 C30 1.371(8) . ?
C31 C36 1.375(8) . ?
C31 C32 1.391(9) . ?
C32 C33 1.387(10) . ?
C33 C34 1.384(12) . ?
C34 C35 1.367(11) . ?
C35 C36 1.385(9) . ?
C37 C42 1.409(7) . ?
C37 C38 1.415(7) . ?
C38 C39 1.408(7) . ?
C39 C40 1.388(7) . ?
C41 C42 1.379(8) . ?
C41 C40 1.384(8) . ?
C43 C48 1.376(10) . ?
C43 C44 1.384(9) . ?
C44 C45 1.419(12) . ?
C45 C46 1.337(15) . ?
C46 C47 1.289(14) . ?
C47 C48 1.376(9) . ?
C49 C50 1.377(8) . ?
C49 C54 1.388(8) . ?
C50 C51 1.378(8) . ?
C51 C52 1.388(9) . ?
C52 C53 1.378(11) . ?
C53 C54 1.379(10) . ?
C55 C60 1.407(7) . ?
C55 C56 1.415(7) . ?
C56 C57 1.403(7) . ?
C57 C58 1.380(8) . ?
C58 C59 1.373(9) . ?
C59 C60 1.383(8) . ?
C61 C62 1.392(7) . ?
C61 C66 1.401(7) . ?
C62 C63 1.384(7) . ?
C63 C64 1.372(8) . ?
C64 C65 1.389(8) . ?
C65 C66 1.386(8) . ?
C67 C72 1.397(7) . ?
C67 C68 1.405(7) . ?
C68 C69 1.384(8) . ?
C69 C70 1.365(10) . ?
C70 C71 1.383(9) . ?
C71 C72 1.397(8) . ?
C73 C78 1.401(7) . ?
C73 C74 1.408(7) . ?
C74 C75 1.415(7) . ?
C75 C76 1.366(8) . ?
C76 C77 1.384(9) . ?
C77 C78 1.379(9) . ?
C79 C84 1.372(9) . ?
C79 C80 1.394(8) . ?
C80 C81 1.393(9) . ?
C81 C82 1.347(11) . ?
C82 C83 1.363(10) . ?
C83 C84 1.404(8) . ?
C85 C86 1.3900 . ?
C85 C90 1.3900 . ?
C86 C87 1.3900 . ?
C87 C88 1.3900 . ?
C88 C89 1.3900 . ?
C89 C90 1.3900 . ?
C91 C96 1.402(7) . ?
C91 C92 1.413(7) . ?
C92 C93 1.409(8) . ?
C93 C94 1.389(8) . ?
C94 C95 1.371(9) . ?
C95 C96 1.365(8) . ?
C97 C102 1.390(7) . ?
C97 C98 1.395(8) . ?
C98 C99 1.382(8) . ?
C99 C100 1.373(9) . ?
C100 C101 1.362(9) . ?
C101 C102 1.381(8) . ?
C103 C108 1.378(8) . ?
C103 C104 1.390(8) . ?
C104 C105 1.396(9) . ?
C105 C106 1.352(10) . ?
C106 C107 1.388(9) . ?
C107 C108 1.400(8) . ?
C109 C110 1.537(7) . ?
C111 C112 1.536(6) . ?
C113 C114 1.531(7) . ?
C115 C116 1.391(8) . ?
C116 C117 1.361(9) . ?
C117 C118 1.373(9) . ?
C118 C119 1.381(8) . ?
C120 C121 1.371(8) . ?
C121 C122 1.386(10) . ?
C122 C123 1.400(10) . ?
C123 C124 1.366(9) . ?
C125 C126 1.363(9) . ?
C126 C127 1.405(14) . ?
C127 C128 1.343(12) . ?
C128 C129 1.388(9) . ?
C130 C131 1.368(8) . ?
C131 C132 1.390(9) . ?
C132 C133 1.355(9) . ?
C133 C134 1.398(8) . ?
C135 C136 1.361(8) . ?
C136 C137 1.381(9) . ?
C137 C138 1.368(9) . ?
C138 C140 1.402(9) . ?
C141 Cl2 1.753(6) . ?
C141 Cl1 1.755(6) . ?
C2S Cl4 1.622(16) . ?
C2S Cl3 1.838(17) . ?
C4S Cl8 1.600(14) . ?
C4S Cl7 1.673(15) . ?
C3S Cl6 1.585(11) . ?
C3S Cl5 1.777(12) . ?
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_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 Rh1 Rh2 O2 17.71(12) . . . . ?
O5 Rh1 Rh2 O6 17.91(14) . . . . ?
P1 Rh1 Rh2 P2 105.49(5) . . . . ?
P1 Rh1 Rh2 C2 12.27(10) . . . . ?
C20 Rh1 Rh2 P2 11.42(15) . . . . ?
C20 Rh1 Rh2 C2 -81.80(18) . . . . ?
O3 Rh3 Rh4 O4 19.21(13) . . . . ?
O9 Rh3 Rh4 O10 19.92(14) . . . . ?
P3 Rh3 Rh4 P4 100.82(5) . . . . ?
P3 Rh3 Rh4 C38 10.43(15) . . . . ?
C56 Rh3 Rh4 P4 12.54(14) . . . . ?
C56 Rh1 Rh2 C38 -17.87(5) . . . . ?
O7 Rh5 Rh6 O8 -19.09(13) . . . . ?
O11 Rh5 Rh6 O12 19.13(13) . . . . ?
P5 Rh5 Rh6 P6 108.21(5) . . . . ?
P5 Rh5 Rh6 C74 16.91(16) . . . . ?
C92 Rh5 Rh6 P6 13.71(15) . . . . ?
C92 Rh5 Rh6 C74 -77.6(2) . . . . ?
