#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:05:14 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179092 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/54/4305471.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_4305471
loop_
_publ_author_name
'Angel B. Rivas'
'José M. Gascón'
'Fernando J. Lahoz'
'Ana I. Balana'
'Alvaro J. Pardey'
'Luis A. Oro'
'Jesús J. Pérez-Torrente'
_publ_contact_author_address
;
  Dr. Fernando J. Lahoz
  Departamento de Química Inorgánica - I.C.M.A.
  Facultad de Ciencias
  Universidad de Zaragoza - C.S.I.C.
  50009 Zaragoza, Spain
;
_publ_contact_author_email       lahoz@unizar.es
_publ_contact_author_fax         '+34 976 761187'
_publ_contact_author_name        'Dr. Fernando J. Lahoz'
_publ_contact_author_phone       '+34 976 761147'
_publ_section_title
;
Synthesis, Structural Characterization, and Ligand Replacement Reactions
of gem-Dithiolato-Bridged Rhodium and Iridium Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6090
_journal_page_last               6104
_journal_paper_doi               10.1021/ic800464p
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C45 H42 O2 P2 Rh2 S2, C H2 Cl2'
_chemical_formula_sum            'C46 H44 Cl2 O2 P2 Rh2 S2'
_chemical_formula_weight         1031.59
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.7410(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.6034(12)
_cell_length_b                   10.6870(7)
_cell_length_c                   24.2161(17)
_cell_measurement_reflns_used    19904
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.294
_cell_measurement_theta_min      2.26
_cell_volume                     4339.1(5)
_computing_cell_refinement       'SAINT+ v. 6.22 (Bruker AXS, 2001)'
_computing_data_collection       'SMART v. 5.625 (Bruker AXS, 2001)'
_computing_data_reduction        'SAINT+ v. 6.22 (Bruker AXS, 2001)'
_computing_molecular_graphics    'XP, SHELXTL v. 6.10 (Bruker, 2000)'
_computing_publication_material  'XCIF, 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 0.999
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'Bruker SMART APEX CCD system'
_diffrn_measurement_method       'ω rotations 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  0.0286
_diffrn_reflns_av_sigmaI/netI    0.0237
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            51934
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         1.71
_diffrn_standards_number         'no decay'
_exptl_absorpt_coefficient_mu    1.092
_exptl_absorpt_correction_T_max  0.7921
_exptl_absorpt_correction_T_min  0.6850
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; SADABS: Area-Detector Absorption Correction. Bruker-AXS 
  within SAINT+ package, v. 6.22 (2001).
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.579
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular block'
_exptl_crystal_F_000             2088
_exptl_crystal_size_max          0.375
_exptl_crystal_size_mid          0.229
_exptl_crystal_size_min          0.224
_refine_diff_density_max         1.354
_refine_diff_density_min         -1.054
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     681
_refine_ls_number_reflns         10466
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0304
_refine_ls_R_factor_gt           0.0257
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0255P)²+3.9875P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0587
_refine_ls_wR_factor_ref         0.0603
_reflns_number_gt                9397
_reflns_number_total             10466
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800464p-file002_4.cif
_cod_data_source_block           compound_16
_cod_database_code               4305471
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 1.015637(8) 0.696546(13) 0.162258(6) 0.01243(4) Uani 1 1 d . . .
Rh2 Rh 0.975545(9) 0.876249(13) 0.241664(6) 0.01358(4) Uani 1 1 d . . .
Cl1 Cl 0.86339(5) 0.77322(7) 0.58378(3) 0.04850(18) Uani 1 1 d . . .
Cl2 Cl 0.90037(5) 0.60696(7) 0.50008(4) 0.0550(2) Uani 1 1 d . . .
S1 S 0.89252(3) 0.71537(4) 0.18482(2) 0.01491(9) Uani 1 1 d . . .
S2 S 0.96723(3) 0.90617(4) 0.14260(2) 0.01449(9) Uani 1 1 d . . .
P1 P 1.03162(3) 0.48787(4) 0.17802(2) 0.01329(9) Uani 1 1 d . . .
P2 P 0.97228(3) 0.80102(5) 0.32821(2) 0.01575(10) Uani 1 1 d . . .
O1 O 1.16598(9) 0.70849(15) 0.12994(7) 0.0257(3) Uani 1 1 d . . .
O2 O 1.06245(10) 1.11116(14) 0.28872(7) 0.0303(4) Uani 1 1 d . . .
C1 C 1.10834(12) 0.70434(18) 0.14226(8) 0.0169(4) Uani 1 1 d . . .
C2 C 1.03099(12) 1.01869(19) 0.27210(9) 0.0192(4) Uani 1 1 d . . .
C3 C 0.86586(11) 0.83501(18) 0.12571(8) 0.0156(4) Uani 1 1 d . . .
C4 C 0.83748(12) 0.76998(19) 0.06619(9) 0.0179(4) Uani 1 1 d . . .
H4A H 0.7847(14) 0.744(2) 0.0608(10) 0.019(6) Uiso 1 1 d . . .
H4B H 0.8691(14) 0.696(2) 0.0685(10) 0.018(6) Uiso 1 1 d . . .
C5 C 0.84086(12) 0.84840(18) 0.01506(8) 0.0186(4) Uani 1 1 d . . .
C6 C 0.77471(13) 0.9146(2) -0.01882(9) 0.0234(4) Uani 1 1 d . . .
H6 H 0.7249(15) 0.912(2) -0.0113(10) 0.025(6) Uiso 1 1 d . . .
C7 C 0.77946(16) 0.9853(2) -0.06600(10) 0.0287(5) Uani 1 1 d . . .
H7 H 0.7372(16) 1.025(3) -0.0857(12) 0.033(7) Uiso 1 1 d . . .
C8 C 0.84941(16) 0.9908(2) -0.08002(10) 0.0292(5) Uani 1 1 d . . .
H8 H 0.8511(16) 1.036(3) -0.1113(12) 0.033(7) Uiso 1 1 d . . .
C9 C 0.91564(15) 0.9247(2) -0.04723(10) 0.0271(5) Uani 1 1 d . . .
H9 H 0.9614(15) 0.929(2) -0.0559(10) 0.022(6) Uiso 1 1 d . . .
C10 C 0.91110(13) 0.8542(2) -0.00029(9) 0.0233(4) Uani 1 1 d . . .
H10 H 0.9531(15) 0.811(2) 0.0206(11) 0.023(6) Uiso 1 1 d . . .
C11 C 0.80501(12) 0.93300(19) 0.13355(10) 0.0195(4) Uani 1 1 d . . .
H11A H 0.8335(15) 0.985(2) 0.1655(11) 0.026(6) Uiso 1 1 d . . .
H11B H 0.7909(13) 0.984(2) 0.0996(10) 0.019(6) Uiso 1 1 d . . .
C12 C 0.73061(12) 0.87820(18) 0.14287(9) 0.0195(4) Uani 1 1 d . . .
C13 C 0.66270(13) 0.8506(2) 0.09700(10) 0.0251(5) Uani 1 1 d . . .
H13 H 0.6625(16) 0.868(2) 0.0592(12) 0.032(7) Uiso 1 1 d . . .
C14 C 0.59541(14) 0.7996(2) 0.10680(11) 0.0294(5) Uani 1 1 d . . .
H14 H 0.5518(17) 0.785(3) 0.0757(12) 0.038(8) Uiso 1 1 d . . .
C15 C 0.59469(14) 0.7752(2) 0.16227(11) 0.0279(5) Uani 1 1 d . . .
H15 H 0.5498(15) 0.736(2) 0.1680(10) 0.025(6) Uiso 1 1 d . . .
C16 C 0.66120(15) 0.8020(2) 0.20825(11) 0.0319(5) Uani 1 1 d . . .
H16 H 0.6621(15) 0.784(2) 0.2451(12) 0.031(7) Uiso 1 1 d . . .
C17 C 0.72819(14) 0.8541(2) 0.19876(10) 0.0270(5) Uani 1 1 d . . .
H17 H 0.7699(17) 0.872(3) 0.2291(12) 0.035(7) Uiso 1 1 d . . .
C18 C 0.98102(13) 0.63000(19) 0.32998(9) 0.0190(4) Uani 1 1 d . . .
H18A H 0.9776(15) 0.598(2) 0.3658(12) 0.030(7) Uiso 1 1 d . . .
H18B H 0.9349(16) 0.603(2) 0.3013(12) 0.030(7) Uiso 1 1 d . . .
C19 C 1.05788(12) 0.58842(19) 0.31780(9) 0.0188(4) Uani 1 1 d . . .
H19A H 1.1019(15) 0.599(2) 0.3524(11) 0.024(6) Uiso 1 1 d . . .
H19B H 1.0654(14) 0.639(2) 0.2875(10) 0.021(6) Uiso 1 1 d . . .
C20 C 1.05578(13) 0.45109(19) 0.29940(9) 0.0188(4) Uani 1 1 d . . .
H20A H 1.0382(14) 0.402(2) 0.3260(10) 0.020(6) Uiso 1 1 d . . .
H20B H 1.1109(15) 0.423(2) 0.3032(10) 0.023(6) Uiso 1 1 d . . .
C21 C 1.00076(12) 0.42199(19) 0.23857(9) 0.0178(4) Uani 1 1 d . . .
H21A H 0.9482(15) 0.455(2) 0.2329(10) 0.024(6) Uiso 1 1 d . . .
H21B H 1.0001(14) 0.330(2) 0.2332(10) 0.025(6) Uiso 1 1 d . . .
C22 C 0.97189(11) 0.40075(18) 0.11457(8) 0.0155(4) Uani 1 1 d . . .
C23 C 0.95020(12) 0.46232(19) 0.06098(9) 0.0189(4) Uani 1 1 d . . .
H23 H 0.9665(15) 0.545(3) 0.0604(11) 0.031(7) Uiso 1 1 d . . .
C24 C 0.90493(13) 0.4029(2) 0.01092(9) 0.0236(4) Uani 1 1 d . . .
H24 H 0.8911(13) 0.442(2) -0.0233(10) 0.016(6) Uiso 1 1 d . . .
C25 C 0.88024(13) 0.2803(2) 0.01335(10) 0.0233(4) Uani 1 1 d . . .
H25 H 0.8511(15) 0.241(2) -0.0184(11) 0.024(6) Uiso 1 1 d . . .
C26 C 0.90218(13) 0.2171(2) 0.06573(10) 0.0217(4) Uani 1 1 d . . .
H26 H 0.8894(15) 0.138(2) 0.0678(10) 0.024(6) Uiso 1 1 d . . .
C27 C 0.94738(12) 0.27648(19) 0.11608(9) 0.0189(4) Uani 1 1 d . . .
H27 H 0.9619(14) 0.233(2) 0.1509(11) 0.024(6) Uiso 1 1 d . . .
C28 C 1.13216(11) 0.42534(18) 0.19255(8) 0.0149(4) Uani 1 1 d . . .
C29 C 1.19443(12) 0.49122(19) 0.23166(9) 0.0181(4) Uani 1 1 d . . .
H29 H 1.1844(12) 0.566(2) 0.2471(9) 0.011(5) Uiso 1 1 d . . .
C30 C 1.27164(12) 0.4452(2) 0.24757(9) 0.0195(4) Uani 1 1 d . . .
H30 H 1.3124(15) 0.492(2) 0.2722(10) 0.024(6) Uiso 1 1 d . . .
C31 C 1.28833(12) 0.3347(2) 0.22419(9) 0.0201(4) Uani 1 1 d . . .
H31 H 1.3406(15) 0.305(2) 0.2335(10) 0.021(6) Uiso 1 1 d . . .
C32 C 1.22766(12) 0.2705(2) 0.18389(9) 0.0209(4) Uani 1 1 d . . .
H32 H 1.2399(14) 0.201(2) 0.1675(10) 0.020(6) Uiso 1 1 d . . .
C33 C 1.14982(12) 0.31516(19) 0.16822(9) 0.0184(4) Uani 1 1 d . . .
H33 H 1.1090(15) 0.269(2) 0.1414(11) 0.029(7) Uiso 1 1 d . . .
C34 C 0.88011(12) 0.83486(19) 0.34454(8) 0.0168(4) Uani 1 1 d . . .
C35 C 0.82926(13) 0.7437(2) 0.35494(10) 0.0232(4) Uani 1 1 d . . .
H35 H 0.8433(16) 0.661(3) 0.3550(11) 0.032(7) Uiso 1 1 d . . .
C36 C 0.75866(14) 0.7794(2) 0.36513(10) 0.0265(5) Uani 1 1 d . . .
H36 H 0.7239(16) 0.719(3) 0.3712(11) 0.032(7) Uiso 1 1 d . . .
C37 C 0.73810(13) 0.9045(2) 0.36489(9) 0.0240(4) Uani 1 1 d . . .
H37 H 0.6927(16) 0.929(2) 0.3707(11) 0.032(7) Uiso 1 1 d . . .
C38 C 0.78770(13) 0.9953(2) 0.35417(9) 0.0226(4) Uani 1 1 d . . .
H38 H 0.7753(15) 1.079(3) 0.3532(11) 0.031(7) Uiso 1 1 d . . .
C39 C 0.85829(12) 0.9606(2) 0.34398(9) 0.0197(4) Uani 1 1 d . . .
H39 H 0.8915(15) 1.024(2) 0.3353(10) 0.027(6) Uiso 1 1 d . . .
C40 C 1.04981(12) 0.85211(19) 0.39328(9) 0.0189(4) Uani 1 1 d . . .
C41 C 1.03550(14) 0.8730(2) 0.44609(9) 0.0241(4) Uani 1 1 d . . .
H41 H 0.9845(16) 0.861(2) 0.4486(11) 0.028(7) Uiso 1 1 d . . .
C42 C 1.09702(15) 0.9122(2) 0.49411(10) 0.0287(5) Uani 1 1 d . . .
H42 H 1.0887(16) 0.928(3) 0.5305(12) 0.037(7) Uiso 1 1 d . . .
C43 C 1.17319(15) 0.9289(2) 0.49036(10) 0.0286(5) Uani 1 1 d . . .
H43 H 1.2135(16) 0.957(2) 0.5234(11) 0.032(7) Uiso 1 1 d . . .
C44 C 1.18825(14) 0.9063(2) 0.43843(10) 0.0278(5) Uani 1 1 d . . .
H44 H 1.2374(16) 0.915(2) 0.4352(11) 0.032(7) Uiso 1 1 d . . .
C45 C 1.12661(13) 0.8698(2) 0.39021(10) 0.0239(4) Uani 1 1 d . . .
H45 H 1.1381(15) 0.860(2) 0.3565(12) 0.031(7) Uiso 1 1 d . . .
C46 C 0.8413(2) 0.7306(3) 0.51094(13) 0.0469(7) Uani 1 1 d . . .
H46A H 0.785(2) 0.703(3) 0.4964(15) 0.066(11) Uiso 1 1 d . . .
H46B H 0.8529(19) 0.804(3) 0.4901(14) 0.053(9) Uiso 1 1 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'
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'
S S 0.1246 0.1234 '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'
Cl Cl 0.1484 0.1585 '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
C1 Rh1 P1 90.82(6) . . ?
C1 Rh1 S2 101.30(6) . . ?
P1 Rh1 S2 166.816(18) . . ?
C1 Rh1 S1 172.34(6) . . ?
P1 Rh1 S1 96.810(17) . . ?
S2 Rh1 S1 71.047(16) . . ?
C1 Rh1 Rh2 123.32(6) . . ?
P1 Rh1 Rh2 124.946(14) . . ?
S2 Rh1 Rh2 51.611(12) . . ?
S1 Rh1 Rh2 52.063(12) . . ?
C2 Rh2 P2 94.77(6) . . ?
C2 Rh2 S2 98.92(6) . . ?
P2 Rh2 S2 166.080(18) . . ?
C2 Rh2 S1 168.50(6) . . ?
P2 Rh2 S1 95.385(18) . . ?
S2 Rh2 S1 71.248(16) . . ?
C2 Rh2 Rh1 126.68(6) . . ?
P2 Rh2 Rh1 116.811(15) . . ?
S2 Rh2 Rh1 51.990(12) . . ?
S1 Rh2 Rh1 52.043(12) . . ?
C3 S1 Rh1 85.21(6) . . ?
C3 S1 Rh2 85.19(6) . . ?
Rh1 S1 Rh2 75.894(15) . . ?
C3 S2 Rh2 85.82(6) . . ?
C3 S2 Rh1 85.46(6) . . ?
Rh2 S2 Rh1 76.399(14) . . ?
C28 P1 C22 104.55(9) . . ?
C28 P1 C21 102.11(9) . . ?
C22 P1 C21 103.84(9) . . ?
C28 P1 Rh1 117.18(6) . . ?
C22 P1 Rh1 110.44(6) . . ?
C21 P1 Rh1 117.16(7) . . ?
C34 P2 C40 103.57(9) . . ?
C34 P2 C18 105.49(9) . . ?
C40 P2 C18 104.04(10) . . ?
C34 P2 Rh2 114.00(7) . . ?
C40 P2 Rh2 118.04(7) . . ?
C18 P2 Rh2 110.51(7) . . ?
O1 C1 Rh1 179.6(2) . . ?
O2 C2 Rh2 176.16(19) . . ?
C4 C3 C11 112.35(16) . . ?
C4 C3 S2 113.87(13) . . ?
C11 C3 S2 110.36(13) . . ?
C4 C3 S1 110.01(13) . . ?
C11 C3 S1 112.95(14) . . ?
S2 C3 S1 96.36(9) . . ?
C5 C4 C3 115.73(16) . . ?
C5 C4 H4A 109.6(14) . . ?
C3 C4 H4A 106.9(14) . . ?
C5 C4 H4B 109.7(14) . . ?
C3 C4 H4B 107.5(14) . . ?
H4A C4 H4B 107.2(19) . . ?
C6 C5 C10 118.0(2) . . ?
C6 C5 C4 121.92(19) . . ?
C10 C5 C4 120.10(18) . . ?
C7 C6 C5 120.6(2) . . ?
C7 C6 H6 117.6(15) . . ?
C5 C6 H6 121.8(15) . . ?
C8 C7 C6 120.5(2) . . ?
C8 C7 H7 121.7(18) . . ?
C6 C7 H7 117.7(18) . . ?
C7 C8 C9 119.8(2) . . ?
C7 C8 H8 119.3(17) . . ?
C9 C8 H8 121.0(17) . . ?
C10 C9 C8 119.9(2) . . ?
C10 C9 H9 120.0(16) . . ?
C8 C9 H9 120.1(16) . . ?
C9 C10 C5 121.3(2) . . ?
C9 C10 H10 120.1(16) . . ?
C5 C10 H10 118.6(16) . . ?
C12 C11 C3 114.74(16) . . ?
C12 C11 H11A 111.5(15) . . ?
C3 C11 H11A 106.0(15) . . ?
C12 C11 H11B 109.9(14) . . ?
C3 C11 H11B 106.6(14) . . ?
H11A C11 H11B 108(2) . . ?
C17 C12 C13 117.6(2) . . ?
C17 C12 C11 120.08(19) . . ?
C13 C12 C11 122.31(19) . . ?
C14 C13 C12 121.1(2) . . ?
C14 C13 H13 119.9(16) . . ?
C12 C13 H13 119.0(17) . . ?
C15 C14 C13 120.3(2) . . ?
C15 C14 H14 121.4(18) . . ?
C13 C14 H14 118.3(18) . . ?
C14 C15 C16 119.5(2) . . ?
C14 C15 H15 119.2(15) . . ?
C16 C15 H15 121.2(15) . . ?
C15 C16 C17 120.4(2) . . ?
C15 C16 H16 120.4(17) . . ?
C17 C16 H16 119.2(17) . . ?
C16 C17 C12 121.0(2) . . ?
C16 C17 H17 118.7(18) . . ?
C12 C17 H17 120.2(18) . . ?
C19 C18 P2 110.88(14) . . ?
C19 C18 H18A 112.1(16) . . ?
P2 C18 H18A 110.5(16) . . ?
C19 C18 H18B 112.6(16) . . ?
P2 C18 H18B 103.8(16) . . ?
H18A C18 H18B 107(2) . . ?
C20 C19 C18 112.88(17) . . ?
C20 C19 H19A 107.8(14) . . ?
C18 C19 H19A 108.9(15) . . ?
C20 C19 H19B 108.5(14) . . ?
C18 C19 H19B 108.7(14) . . ?
H19A C19 H19B 110(2) . . ?
C21 C20 C19 115.31(17) . . ?
C21 C20 H20A 107.3(14) . . ?
C19 C20 H20A 108.6(14) . . ?
C21 C20 H20B 110.0(14) . . ?
C19 C20 H20B 109.0(14) . . ?
H20A C20 H20B 106.3(19) . . ?
C20 C21 P1 115.69(14) . . ?
C20 C21 H21A 111.2(14) . . ?
P1 C21 H21A 104.4(14) . . ?
C20 C21 H21B 107.9(14) . . ?
P1 C21 H21B 105.5(14) . . ?
H21A C21 H21B 112(2) . . ?
C27 C22 C23 118.08(18) . . ?
C27 C22 P1 124.30(15) . . ?
C23 C22 P1 117.62(15) . . ?
C24 C23 C22 121.13(19) . . ?
C24 C23 H23 121.3(16) . . ?
C22 C23 H23 117.5(16) . . ?
C23 C24 C25 120.0(2) . . ?
C23 C24 H24 121.1(15) . . ?
C25 C24 H24 118.9(15) . . ?
C26 C25 C24 119.7(2) . . ?
C26 C25 H25 119.4(16) . . ?
C24 C25 H25 120.9(16) . . ?
C25 C26 C27 120.5(2) . . ?
C25 C26 H26 121.0(16) . . ?
C27 C26 H26 118.5(16) . . ?
C26 C27 C22 120.57(19) . . ?
C26 C27 H27 119.4(15) . . ?
C22 C27 H27 120.0(15) . . ?
C33 C28 C29 118.77(18) . . ?
C33 C28 P1 123.83(15) . . ?
C29 C28 P1 117.39(14) . . ?
C30 C29 C28 120.62(19) . . ?
C30 C29 H29 119.1(13) . . ?
C28 C29 H29 120.2(13) . . ?
C31 C30 C29 120.21(19) . . ?
C31 C30 H30 120.3(15) . . ?
C29 C30 H30 119.4(15) . . ?
C30 C31 C32 119.81(19) . . ?
C30 C31 H31 120.4(15) . . ?
C32 C31 H31 119.6(15) . . ?
C31 C32 C33 120.33(19) . . ?
C31 C32 H32 118.9(15) . . ?
C33 C32 H32 120.8(15) . . ?
C32 C33 C28 120.21(19) . . ?
C32 C33 H33 119.1(16) . . ?
C28 C33 H33 120.7(16) . . ?
C39 C34 C35 118.88(19) . . ?
C39 C34 P2 116.75(15) . . ?
C35 C34 P2 124.31(16) . . ?
C36 C35 C34 119.8(2) . . ?
C36 C35 H35 121.1(17) . . ?
C34 C35 H35 119.1(17) . . ?
C37 C36 C35 120.7(2) . . ?
C37 C36 H36 119.0(16) . . ?
C35 C36 H36 120.3(16) . . ?
C38 C37 C36 120.0(2) . . ?
C38 C37 H37 118.3(18) . . ?
C36 C37 H37 121.7(18) . . ?
C37 C38 C39 119.7(2) . . ?
C37 C38 H38 122.0(16) . . ?
C39 C38 H38 118.3(16) . . ?
C38 C39 C34 120.9(2) . . ?
C38 C39 H39 119.2(15) . . ?
C34 C39 H39 119.8(15) . . ?
C45 C40 C41 118.5(2) . . ?
C45 C40 P2 118.57(15) . . ?
C41 C40 P2 122.88(17) . . ?
C42 C41 C40 120.2(2) . . ?
C42 C41 H41 120.6(16) . . ?
C40 C41 H41 119.2(16) . . ?
C43 C42 C41 120.5(2) . . ?
C43 C42 H42 117.7(17) . . ?
C41 C42 H42 121.8(17) . . ?
C42 C43 C44 119.7(2) . . ?
C42 C43 H43 118.7(16) . . ?
C44 C43 H43 121.6(16) . . ?
C43 C44 C45 119.8(2) . . ?
C43 C44 H44 121.2(17) . . ?
C45 C44 H44 119.0(17) . . ?
C44 C45 C40 121.2(2) . . ?
C44 C45 H45 117.4(17) . . ?
C40 C45 H45 121.4(17) . . ?
Cl1 C46 Cl2 112.91(17) . . ?
Cl1 C46 H46A 109(2) . . ?
Cl2 C46 H46A 107(2) . . ?
Cl1 C46 H46B 106.9(19) . . ?
Cl2 C46 H46B 107.5(19) . . ?
H46A C46 H46B 113(3) . . ?
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 C1 1.840(2) . ?
Rh1 P1 2.2655(5) . ?
Rh1 S2 2.3926(5) . ?
Rh1 S1 2.3995(5) . ?
Rh1 Rh2 2.9514(2) . ?
Rh2 C2 1.837(2) . ?
Rh2 P2 2.2618(5) . ?
Rh2 S2 2.3801(5) . ?
Rh2 S1 2.4001(5) . ?
Cl1 C46 1.747(3) . ?
Cl2 C46 1.749(3) . ?
S1 C3 1.869(2) . ?
S2 C3 1.867(2) . ?
P1 C28 1.8230(19) . ?
P1 C22 1.830(2) . ?
P1 C21 1.851(2) . ?
P2 C34 1.819(2) . ?
P2 C40 1.826(2) . ?
P2 C18 1.834(2) . ?
O1 C1 1.142(2) . ?
O2 C2 1.144(3) . ?
C3 C4 1.540(3) . ?
C3 C11 1.551(3) . ?
C4 C5 1.511(3) . ?
C4 H4A 0.94(2) . ?
C4 H4B 0.95(2) . ?
C5 C6 1.396(3) . ?
C5 C10 1.397(3) . ?
C6 C7 1.393(3) . ?
C6 H6 0.95(3) . ?
C7 C8 1.375(4) . ?
C7 H7 0.86(3) . ?
C8 C9 1.387(4) . ?
C8 H8 0.91(3) . ?
C9 C10 1.386(3) . ?
C9 H9 0.89(2) . ?
C10 H10 0.89(3) . ?
C11 C12 1.513(3) . ?
C11 H11A 0.96(3) . ?
C11 H11B 0.95(2) . ?
C12 C17 1.391(3) . ?
C12 C13 1.393(3) . ?
C13 C14 1.388(3) . ?
C13 H13 0.93(3) . ?
C14 C15 1.372(4) . ?
C14 H14 0.91(3) . ?
C15 C16 1.378(4) . ?
C15 H15 0.94(3) . ?
C16 C17 1.385(3) . ?
C16 H16 0.91(3) . ?
C17 H17 0.89(3) . ?
C18 C19 1.536(3) . ?
C18 H18A 0.95(3) . ?
C18 H18B 0.94(3) . ?
C19 C20 1.531(3) . ?
C19 H19A 0.96(3) . ?
C19 H19B 0.95(2) . ?
C20 C21 1.528(3) . ?
C20 H20A 0.96(2) . ?
C20 H20B 0.99(2) . ?
C21 H21A 0.96(2) . ?
C21 H21B 0.99(3) . ?
C22 C27 1.400(3) . ?
C22 C23 1.400(3) . ?
C23 C24 1.386(3) . ?
C23 H23 0.93(3) . ?
C24 C25 1.387(3) . ?
C24 H24 0.89(2) . ?
C25 C26 1.384(3) . ?
C25 H25 0.89(3) . ?
C26 C27 1.389(3) . ?
C26 H26 0.88(3) . ?
C27 H27 0.93(2) . ?
C28 C33 1.394(3) . ?
C28 C29 1.401(3) . ?
C29 C30 1.385(3) . ?
C29 H29 0.92(2) . ?
C30 C31 1.380(3) . ?
C30 H30 0.93(2) . ?
C31 C32 1.389(3) . ?
C31 H31 0.93(2) . ?
C32 C33 1.390(3) . ?
C32 H32 0.90(2) . ?
C33 H33 0.95(3) . ?
C34 C39 1.396(3) . ?
C34 C35 1.397(3) . ?
C35 C36 1.392(3) . ?
C35 H35 0.92(3) . ?
C36 C37 1.384(3) . ?
C36 H36 0.93(3) . ?
C37 C38 1.382(3) . ?
C37 H37 0.89(3) . ?
C38 C39 1.389(3) . ?
C38 H38 0.92(3) . ?
C39 H39 0.96(3) . ?
C40 C45 1.389(3) . ?
C40 C41 1.395(3) . ?
C41 C42 1.390(3) . ?
C41 H41 0.93(3) . ?
C42 C43 1.383(4) . ?
C42 H42 0.95(3) . ?
C43 C44 1.383(3) . ?
C43 H43 0.94(3) . ?
C44 C45 1.386(3) . ?
C44 H44 0.90(3) . ?
C45 H45 0.91(3) . ?
C46 H46A 0.99(4) . ?
C46 H46B 0.99(3) . ?
