#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:10:14 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178551 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/58/4065883.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_4065883
loop_
_publ_author_name
'Oster, Stephen S.'
'Grochowski, Matthew R.'
'Lachicotte, Rene J.'
'Brennessel, William W.'
'Jones, William D.'
_publ_section_title
;
 Carbon−Sulfur Bond Activation of Dibenzothiophenes and
 Phenoxythiin by [Rh(dippe)(μ-H)]2and [Rh2(dippe)2(μ-Cl)(μ-H)]†
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              4923
_journal_paper_doi               10.1021/om1001815
_journal_volume                  29
_journal_year                    2010
_chemical_formula_moiety         'C54 H86 P4 Rh2 S2'
_chemical_formula_sum            'C54 H86 P4 Rh2 S2'
_chemical_formula_weight         1129.05
_chemical_name_common            '[Rh(dippe)(mu-S-3-MeC12H8)]2 (5)'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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                 96.491(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.2048(14)
_cell_length_b                   15.6941(11)
_cell_length_c                   16.7713(12)
_cell_measurement_reflns_used    4042
_cell_measurement_temperature    100.0(1)
_cell_measurement_theta_max      29.05
_cell_measurement_theta_min      2.44
_cell_volume                     5284.0(6)
_computing_cell_refinement       'SAINT (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2008)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      100.0(1)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD Platform'
_diffrn_measurement_method       'area detector, ω scans per φ'
_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  0.1289
_diffrn_reflns_av_sigmaI/netI    0.1166
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            46669
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.01
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.860
_exptl_absorpt_correction_T_max  0.9038
_exptl_absorpt_correction_T_min  0.8747
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.419
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2368
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.503
_refine_diff_density_min         -0.748
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         12038
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.976
_refine_ls_R_factor_all          0.1230
_refine_ls_R_factor_gt           0.0554
_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)+(0.0421P)²+1.6519P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1016
_refine_ls_wR_factor_ref         0.1275
_reflns_number_gt                6757
_reflns_number_total             12038
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om1001815_si_002.cif
_cod_data_source_block           jonmg23_cmpd5
_cod_database_code               4065883
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
Rh1 Rh 0.42917(2) 0.95056(3) 0.54503(2) 0.01325(11) Uani 1 1 d .
S1 S 0.53497(7) 0.90753(8) 0.49876(8) 0.0153(3) Uani 1 1 d .
P1 P 0.34108(7) 0.99053(9) 0.60237(9) 0.0175(3) Uani 1 1 d .
P2 P 0.39355(7) 0.82012(9) 0.56494(8) 0.0155(3) Uani 1 1 d .
C1 C 0.5929(3) 0.8706(3) 0.5806(3) 0.0175(12) Uani 1 1 d .
C2 C 0.6110(3) 0.9253(3) 0.6463(3) 0.0185(12) Uani 1 1 d .
C3 C 0.6594(3) 0.8985(4) 0.7074(3) 0.0236(13) Uani 1 1 d .
H3 H 0.6721 0.9357 0.7512 0.028 Uiso 1 1 calc R
C4 C 0.6891(3) 0.8198(4) 0.7057(4) 0.0276(15) Uani 1 1 d .
H4 H 0.7231 0.8034 0.7465 0.033 Uiso 1 1 calc R
C5 C 0.6684(3) 0.7657(4) 0.6439(3) 0.0248(14) Uani 1 1 d .
H5 H 0.6876 0.7104 0.6436 0.030 Uiso 1 1 calc R
C6 C 0.6209(3) 0.7882(3) 0.5819(3) 0.0187(12) Uani 1 1 d .
C7 C 0.6006(3) 0.7195(3) 0.5213(3) 0.0186(12) Uani 1 1 d .
C8 C 0.5950(3) 0.7318(3) 0.4390(3) 0.0191(12) Uani 1 1 d .
H8 H 0.6021 0.7870 0.4184 0.023 Uiso 1 1 calc R
C9 C 0.5794(3) 0.6650(4) 0.3862(4) 0.0269(14) Uani 1 1 d .
H9 H 0.5767 0.6748 0.3300 0.032 Uiso 1 1 calc R
C10 C 0.5678(3) 0.5847(4) 0.4144(4) 0.0263(14) Uani 1 1 d .
H10 H 0.5562 0.5391 0.3782 0.032 Uiso 1 1 calc R
C11 C 0.5731(3) 0.5717(3) 0.4954(4) 0.0284(15) Uani 1 1 d .
H11 H 0.5656 0.5163 0.5155 0.034 Uiso 1 1 calc R
C12 C 0.5892(3) 0.6381(3) 0.5490(4) 0.0251(14) Uani 1 1 d .
H12 H 0.5925 0.6276 0.6051 0.030 Uiso 1 1 calc R
C13 C 0.5789(3) 1.0102(3) 0.6537(3) 0.0218(13) Uani 1 1 d .
H13A H 0.5979 1.0377 0.7035 0.033 Uiso 1 1 calc R
H13B H 0.5309 1.0026 0.6546 0.033 Uiso 1 1 calc R
H13C H 0.5869 1.0459 0.6078 0.033 Uiso 1 1 calc R
C14 C 0.2832(3) 0.9016(3) 0.6154(4) 0.0221(13) Uani 1 1 d .
H14A H 0.2610 0.9111 0.6643 0.027 Uiso 1 1 calc R
H14B H 0.2485 0.8992 0.5689 0.027 Uiso 1 1 calc R
C15 C 0.3213(3) 0.8168(3) 0.6228(3) 0.0205(13) Uani 1 1 d .
H15A H 0.2912 0.7699 0.6026 0.025 Uiso 1 1 calc R
H15B H 0.3367 0.8054 0.6799 0.025 Uiso 1 1 calc R
C16 C 0.3592(3) 1.0302(3) 0.7069(3) 0.0204(13) Uani 1 1 d .
H16 H 0.3159 1.0376 0.7295 0.024 Uiso 1 1 calc R
C17 C 0.4011(3) 0.9666(3) 0.7594(3) 0.0254(14) Uani 1 1 d .
H17A H 0.4103 0.9895 0.8139 0.038 Uiso 1 1 calc R
H17B H 0.4432 0.9565 0.7371 0.038 Uiso 1 1 calc R
H17C H 0.3767 0.9127 0.7611 0.038 Uiso 1 1 calc R
C18 C 0.3945(3) 1.1169(4) 0.7098(4) 0.0318(16) Uani 1 1 d .
H18A H 0.4092 1.1318 0.7657 0.048 Uiso 1 1 calc R
H18B H 0.3636 1.1604 0.6860 0.048 Uiso 1 1 calc R
H18C H 0.4332 1.1137 0.6796 0.048 Uiso 1 1 calc R
C19 C 0.2839(3) 1.0733(4) 0.5548(3) 0.0241(13) Uani 1 1 d .
H19 H 0.3116 1.1251 0.5485 0.029 Uiso 1 1 calc R
C20 C 0.2565(3) 1.0454(4) 0.4703(3) 0.0287(14) Uani 1 1 d .
H20A H 0.2377 1.0948 0.4400 0.043 Uiso 1 1 calc R
H20B H 0.2215 1.0026 0.4736 0.043 Uiso 1 1 calc R
H20C H 0.2925 1.0208 0.4432 0.043 Uiso 1 1 calc R
C21 C 0.2280(3) 1.1006(4) 0.6030(4) 0.0333(16) Uani 1 1 d .
H21A H 0.2010 1.1447 0.5734 0.050 Uiso 1 1 calc R
H21B H 0.2471 1.1233 0.6550 0.050 Uiso 1 1 calc R
H21C H 0.1999 1.0513 0.6116 0.050 Uiso 1 1 calc R
C22 C 0.4510(3) 0.7423(3) 0.6174(3) 0.0196(13) Uani 1 1 d .
H22 H 0.4887 0.7358 0.5840 0.023 Uiso 1 1 calc R
C23 C 0.4809(3) 0.7759(4) 0.6976(3) 0.0243(14) Uani 1 1 d .
H23A H 0.5172 0.7383 0.7197 0.036 Uiso 1 1 calc R
H23B H 0.4466 0.7781 0.7344 0.036 Uiso 1 1 calc R
H23C H 0.4985 0.8334 0.6908 0.036 Uiso 1 1 calc R
C24 C 0.4220(3) 0.6528(3) 0.6257(4) 0.0289(15) Uani 1 1 d .
H24A H 0.4559 0.6159 0.6544 0.043 Uiso 1 1 calc R
H24B H 0.4085 0.6292 0.5723 0.043 Uiso 1 1 calc R
H24C H 0.3833 0.6561 0.6558 0.043 Uiso 1 1 calc R
C25 C 0.3605(3) 0.7615(3) 0.4727(3) 0.0177(12) Uani 1 1 d .
H25 H 0.3408 0.7070 0.4899 0.021 Uiso 1 1 calc R
C26 C 0.3048(3) 0.8117(3) 0.4243(3) 0.0250(14) Uani 1 1 d .
H26A H 0.2883 0.7795 0.3761 0.038 Uiso 1 1 calc R
H26B H 0.3222 0.8668 0.4086 0.038 Uiso 1 1 calc R
H26C H 0.2683 0.8211 0.4572 0.038 Uiso 1 1 calc R
C27 C 0.4149(3) 0.7387(4) 0.4201(4) 0.0276(14) Uani 1 1 d .
H27A H 0.3953 0.7074 0.3727 0.041 Uiso 1 1 calc R
H27B H 0.4486 0.7032 0.4508 0.041 Uiso 1 1 calc R
H27C H 0.4358 0.7911 0.4031 0.041 Uiso 1 1 calc R
Rh2 Rh 0.06623(2) 0.44833(3) 0.44979(3) 0.01734(11) Uani 1 1 d .
S2 S -0.04780(7) 0.42165(9) 0.47660(8) 0.0193(3) Uani 1 1 d .
P3 P 0.17182(8) 0.46778(9) 0.42872(9) 0.0229(4) Uani 1 1 d .
P4 P 0.07103(8) 0.33489(9) 0.37182(9) 0.0221(3) Uani 1 1 d .
C28 C -0.1046(3) 0.4114(4) 0.3877(3) 0.0241(13) Uani 1 1 d .
C29 C -0.1144(3) 0.4814(4) 0.3346(3) 0.0248(14) Uani 1 1 d .
C30 C -0.1585(3) 0.4740(4) 0.2647(4) 0.0351(16) Uani 1 1 d .
H30 H -0.1639 0.5205 0.2283 0.042 Uiso 1 1 calc R
C31 C -0.1938(4) 0.4014(5) 0.2479(4) 0.0443(19) Uani 1 1 d .
H31 H -0.2250 0.3980 0.2012 0.053 Uiso 1 1 calc R
C32 C -0.1842(3) 0.3330(4) 0.2986(4) 0.0356(17) Uani 1 1 d .
H32 H -0.2092 0.2826 0.2858 0.043 Uiso 1 1 calc R
C33 C -0.1392(3) 0.3338(4) 0.3686(4) 0.0253(14) Uani 1 1 d .
C34 C -0.1273(3) 0.2525(4) 0.4132(4) 0.0277(14) Uani 1 1 d .
C35 C -0.1263(3) 0.2438(4) 0.4959(4) 0.0287(15) Uani 1 1 d .
H35 H -0.1334 0.2924 0.5276 0.034 Uiso 1 1 calc R
C36 C -0.1151(3) 0.1653(4) 0.5324(4) 0.0365(16) Uani 1 1 d .
H36 H -0.1161 0.1601 0.5887 0.044 Uiso 1 1 calc R
C37 C -0.1026(3) 0.0947(4) 0.4882(5) 0.046(2) Uani 1 1 d .
H37 H -0.0938 0.0413 0.5139 0.055 Uiso 1 1 calc R
C38 C -0.1029(4) 0.1016(4) 0.4070(6) 0.051(2) Uani 1 1 d .
H38 H -0.0942 0.0529 0.3762 0.062 Uiso 1 1 calc R
C39 C -0.1158(3) 0.1792(4) 0.3695(4) 0.0389(17) Uani 1 1 d .
H39 H -0.1170 0.1828 0.3128 0.047 Uiso 1 1 calc R
C40 C -0.0755(3) 0.5625(4) 0.3492(4) 0.0303(15) Uani 1 1 d .
H40A H -0.0899 0.6037 0.3069 0.045 Uiso 1 1 calc R
H40B H -0.0279 0.5506 0.3490 0.045 Uiso 1 1 calc R
H40C H -0.0833 0.5862 0.4015 0.045 Uiso 1 1 calc R
C41 C 0.1894(3) 0.4050(4) 0.3401(4) 0.0279(14) Uani 1 1 d .
H41A H 0.1742 0.4369 0.2905 0.033 Uiso 1 1 calc R
H41B H 0.2379 0.3954 0.3418 0.033 Uiso 1 1 calc R
C42 C 0.1535(3) 0.3197(4) 0.3394(4) 0.0302(15) Uani 1 1 d .
H42A H 0.1796 0.2794 0.3759 0.036 Uiso 1 1 calc R
H42B H 0.1492 0.2954 0.2846 0.036 Uiso 1 1 calc R
C43 C 0.1958(3) 0.5761(4) 0.3995(4) 0.0291(15) Uani 1 1 d .
H43 H 0.1989 0.6120 0.4490 0.035 Uiso 1 1 calc R
C44 C 0.1429(3) 0.6153(4) 0.3400(4) 0.0343(16) Uani 1 1 d .
H44A H 0.1521 0.6762 0.3343 0.051 Uiso 1 1 calc R
H44B H 0.0992 0.6081 0.3592 0.051 Uiso 1 1 calc R
H44C H 0.1429 0.5871 0.2878 0.051 Uiso 1 1 calc R
C45 C 0.2638(3) 0.5793(4) 0.3683(4) 0.0402(18) Uani 1 1 d .
H45A H 0.2766 0.6388 0.3612 0.060 Uiso 1 1 calc R
H45B H 0.2616 0.5495 0.3168 0.060 Uiso 1 1 calc R
H45C H 0.2970 0.5516 0.4071 0.060 Uiso 1 1 calc R
C46 C 0.2425(3) 0.4376(4) 0.5035(4) 0.0298(15) Uani 1 1 d .
H46 H 0.2820 0.4278 0.4737 0.036 Uiso 1 1 calc R
C47 C 0.2283(4) 0.3534(5) 0.5456(4) 0.051(2) Uani 1 1 d .
H47A H 0.2679 0.3362 0.5811 0.076 Uiso 1 1 calc R
H47B H 0.2171 0.3091 0.5053 0.076 Uiso 1 1 calc R
H47C H 0.1909 0.3615 0.5773 0.076 Uiso 1 1 calc R
C48 C 0.2616(3) 0.5068(5) 0.5661(4) 0.0419(18) Uani 1 1 d .
H48A H 0.2964 0.4851 0.6065 0.063 Uiso 1 1 calc R
H48B H 0.2224 0.5228 0.5921 0.063 Uiso 1 1 calc R
H48C H 0.2784 0.5568 0.5398 0.063 Uiso 1 1 calc R
C49 C 0.0158(3) 0.3406(4) 0.2756(3) 0.0257(14) Uani 1 1 d .
H49 H -0.0303 0.3506 0.2900 0.031 Uiso 1 1 calc R
C50 C 0.0330(4) 0.4178(4) 0.2269(4) 0.0369(17) Uani 1 1 d .
H50A H -0.0021 0.4269 0.1824 0.055 Uiso 1 1 calc R
H50B H 0.0755 0.4079 0.2055 0.055 Uiso 1 1 calc R
H50C H 0.0368 0.4683 0.2615 0.055 Uiso 1 1 calc R
C51 C 0.0120(3) 0.2620(4) 0.2226(4) 0.0359(17) Uani 1 1 d .
H51A H -0.0205 0.2714 0.1755 0.054 Uiso 1 1 calc R
H51B H -0.0018 0.2129 0.2530 0.054 Uiso 1 1 calc R
H51C H 0.0558 0.2507 0.2052 0.054 Uiso 1 1 calc R
C52 C 0.0499(3) 0.2304(4) 0.4146(4) 0.0270(14) Uani 1 1 d .
H52 H 0.0010 0.2218 0.3997 0.032 Uiso 1 1 calc R
C53 C 0.0615(3) 0.2306(4) 0.5055(4) 0.0309(15) Uani 1 1 d .
H53A H 0.0466 0.1762 0.5260 0.046 Uiso 1 1 calc R
H53B H 0.0362 0.2773 0.5264 0.046 Uiso 1 1 calc R
H53C H 0.1090 0.2384 0.5228 0.046 Uiso 1 1 calc R
C54 C 0.0846(4) 0.1527(4) 0.3840(4) 0.0406(18) Uani 1 1 d .
H54A H 0.0617 0.1009 0.3984 0.061 Uiso 1 1 calc R
H54B H 0.1310 0.1513 0.4083 0.061 Uiso 1 1 calc R
H54C H 0.0834 0.1561 0.3255 0.061 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'
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'
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_3
P1 Rh1 P2 84.55(6) .
P1 Rh1 S1 172.56(5) .
P2 Rh1 S1 95.93(5) .
P1 Rh1 S1 98.68(5) 3_676
P2 Rh1 S1 171.52(5) 3_676
S1 Rh1 S1 81.90(5) 3_676
C1 S1 Rh1 111.33(19) .
C1 S1 Rh1 109.22(18) 3_676
Rh1 S1 Rh1 98.10(5) 3_676
C14 P1 C19 102.0(3) .
C14 P1 C16 101.6(3) .
C19 P1 C16 102.6(3) .
C14 P1 Rh1 112.87(19) .
C19 P1 Rh1 120.30(19) .
C16 P1 Rh1 115.1(2) .
C22 P2 C15 103.0(3) .
C22 P2 C25 102.6(2) .
C15 P2 C25 101.1(3) .
C22 P2 Rh1 119.31(18) .
C15 P2 Rh1 113.40(17) .
C25 P2 Rh1 115.19(18) .
C6 C1 C2 118.6(5) .
C6 C1 S1 122.2(4) .
C2 C1 S1 119.2(4) .
C3 C2 C1 119.1(5) .
C3 C2 C13 118.7(5) .
C1 C2 C13 122.2(5) .
C4 C3 C2 121.7(5) .
C4 C3 H3 119.2 .
C2 C3 H3 119.2 .
C5 C4 C3 118.5(6) .
C5 C4 H4 120.7 .
C3 C4 H4 120.7 .
C4 C5 C6 122.5(6) .
C4 C5 H5 118.7 .
C6 C5 H5 118.7 .
C5 C6 C1 119.4(5) .
C5 C6 C7 116.0(5) .
C1 C6 C7 124.6(5) .
C8 C7 C12 117.6(5) .
C8 C7 C6 123.9(5) .
C12 C7 C6 118.4(5) .
C7 C8 C9 121.3(5) .
C7 C8 H8 119.4 .
C9 C8 H8 119.4 .
C10 C9 C8 120.6(6) .
C10 C9 H9 119.7 .
C8 C9 H9 119.7 .
C11 C10 C9 118.8(6) .
C11 C10 H10 120.6 .
C9 C10 H10 120.6 .
C10 C11 C12 121.1(5) .
C10 C11 H11 119.4 .
C12 C11 H11 119.4 .
C7 C12 C11 120.6(6) .
C7 C12 H12 119.7 .
C11 C12 H12 119.7 .
C2 C13 H13A 109.5 .
C2 C13 H13B 109.5 .
H13A C13 H13B 109.5 .
C2 C13 H13C 109.5 .
H13A C13 H13C 109.5 .
H13B C13 H13C 109.5 .
C15 C14 P1 110.3(4) .
C15 C14 H14A 109.6 .
P1 C14 H14A 109.6 .
C15 C14 H14B 109.6 .
P1 C14 H14B 109.6 .
H14A C14 H14B 108.1 .
C14 C15 P2 110.7(4) .
C14 C15 H15A 109.5 .
P2 C15 H15A 109.5 .
C14 C15 H15B 109.5 .
P2 C15 H15B 109.5 .
H15A C15 H15B 108.1 .
C17 C16 C18 109.7(5) .
C17 C16 P1 111.3(4) .
C18 C16 P1 111.7(4) .
C17 C16 H16 108.0 .
C18 C16 H16 108.0 .
P1 C16 H16 108.0 .
C16 C17 H17A 109.5 .
C16 C17 H17B 109.5 .
H17A C17 H17B 109.5 .
C16 C17 H17C 109.5 .
H17A C17 H17C 109.5 .
H17B C17 H17C 109.5 .
C16 C18 H18A 109.5 .
C16 C18 H18B 109.5 .
H18A C18 H18B 109.5 .
C16 C18 H18C 109.5 .
H18A C18 H18C 109.5 .
H18B C18 H18C 109.5 .
C21 C19 C20 111.1(5) .
C21 C19 P1 115.6(4) .
C20 C19 P1 109.9(4) .
C21 C19 H19 106.6 .
C20 C19 H19 106.6 .
P1 C19 H19 106.6 .
C19 C20 H20A 109.5 .
C19 C20 H20B 109.5 .
H20A C20 H20B 109.5 .
C19 C20 H20C 109.5 .
H20A C20 H20C 109.5 .
H20B C20 H20C 109.5 .
C19 C21 H21A 109.5 .
C19 C21 H21B 109.5 .
H21A C21 H21B 109.5 .
C19 C21 H21C 109.5 .
H21A C21 H21C 109.5 .
H21B C21 H21C 109.5 .
C23 C22 C24 111.0(5) .
C23 C22 P2 111.2(4) .
C24 C22 P2 115.2(4) .
C23 C22 H22 106.3 .
C24 C22 H22 106.3 .
P2 C22 H22 106.3 .
C22 C23 H23A 109.5 .
C22 C23 H23B 109.5 .
H23A C23 H23B 109.5 .
C22 C23 H23C 109.5 .
H23A C23 H23C 109.5 .
H23B C23 H23C 109.5 .
C22 C24 H24A 109.5 .
C22 C24 H24B 109.5 .
H24A C24 H24B 109.5 .
C22 C24 H24C 109.5 .
H24A C24 H24C 109.5 .
H24B C24 H24C 109.5 .
C27 C25 C26 110.4(5) .
C27 C25 P2 112.4(4) .
C26 C25 P2 111.2(4) .
C27 C25 H25 107.5 .
C26 C25 H25 107.5 .
P2 C25 H25 107.5 .
C25 C26 H26A 109.5 .
C25 C26 H26B 109.5 .
H26A C26 H26B 109.5 .
C25 C26 H26C 109.5 .
H26A C26 H26C 109.5 .
H26B C26 H26C 109.5 .
C25 C27 H27A 109.5 .
C25 C27 H27B 109.5 .
H27A C27 H27B 109.5 .
C25 C27 H27C 109.5 .
H27A C27 H27C 109.5 .
H27B C27 H27C 109.5 .
P4 Rh2 P3 84.82(6) .
P4 Rh2 S2 94.38(6) .
P3 Rh2 S2 177.46(6) .
P4 Rh2 S2 172.32(6) 3_566
P3 Rh2 S2 99.79(5) 3_566
S2 Rh2 S2 81.27(5) 3_566
C28 S2 Rh2 113.2(2) .
C28 S2 Rh2 112.2(2) 3_566
Rh2 S2 Rh2 98.73(5) 3_566
C43 P3 C41 101.4(3) .
C43 P3 C46 102.1(3) .
C41 P3 C46 101.8(3) .
C43 P3 Rh2 117.0(2) .
C41 P3 Rh2 109.2(2) .
C46 P3 Rh2 122.5(2) .
C42 P4 C52 104.9(3) .
C42 P4 C49 103.1(3) .
C52 P4 C49 103.7(3) .
C42 P4 Rh2 112.5(2) .
C52 P4 Rh2 117.0(2) .
C49 P4 Rh2 114.3(2) .
C29 C28 C33 119.6(5) .
C29 C28 S2 119.1(4) .
C33 C28 S2 121.3(5) .
C30 C29 C28 119.6(5) .
C30 C29 C40 118.8(5) .
C28 C29 C40 121.5(5) .
C31 C30 C29 121.0(6) .
C31 C30 H30 119.5 .
C29 C30 H30 119.5 .
C30 C31 C32 119.7(6) .
C30 C31 H31 120.1 .
C32 C31 H31 120.1 .
C31 C32 C33 123.0(6) .
C31 C32 H32 118.5 .
C33 C32 H32 118.5 .
C32 C33 C28 116.9(6) .
C32 C33 C34 117.8(5) .
C28 C33 C34 125.1(5) .
C35 C34 C39 117.3(6) .
C35 C34 C33 124.7(5) .
C39 C34 C33 118.1(6) .
C36 C35 C34 120.7(6) .
C36 C35 H35 119.6 .
C34 C35 H35 119.6 .
C37 C36 C35 120.7(7) .
C37 C36 H36 119.6 .
C35 C36 H36 119.6 .
C38 C37 C36 119.7(7) .
C38 C37 H37 120.2 .
C36 C37 H37 120.2 .
C37 C38 C39 120.2(7) .
C37 C38 H38 119.9 .
C39 C38 H38 119.9 .
C38 C39 C34 121.4(7) .
C38 C39 H39 119.3 .
C34 C39 H39 119.3 .
C29 C40 H40A 109.5 .
C29 C40 H40B 109.5 .
H40A C40 H40B 109.5 .
C29 C40 H40C 109.5 .
H40A C40 H40C 109.5 .
H40B C40 H40C 109.5 .
C42 C41 P3 110.0(4) .
C42 C41 H41A 109.7 .
P3 C41 H41A 109.7 .
C42 C41 H41B 109.7 .
P3 C41 H41B 109.7 .
H41A C41 H41B 108.2 .
C41 C42 P4 109.4(4) .
C41 C42 H42A 109.8 .
P4 C42 H42A 109.8 .
C41 C42 H42B 109.8 .
P4 C42 H42B 109.8 .
H42A C42 H42B 108.2 .
C44 C43 C45 111.1(6) .
C44 C43 P3 111.2(4) .
C45 C43 P3 113.2(4) .
C44 C43 H43 107.0 .
C45 C43 H43 107.0 .
P3 C43 H43 107.0 .
C43 C44 H44A 109.5 .
C43 C44 H44B 109.5 .
H44A C44 H44B 109.5 .
C43 C44 H44C 109.5 .
H44A C44 H44C 109.5 .
H44B C44 H44C 109.5 .
C43 C45 H45A 109.5 .
C43 C45 H45B 109.5 .
H45A C45 H45B 109.5 .
C43 C45 H45C 109.5 .
H45A C45 H45C 109.5 .
H45B C45 H45C 109.5 .
C48 C46 C47 109.9(5) .
C48 C46 P3 113.5(4) .
C47 C46 P3 111.2(4) .
C48 C46 H46 107.3 .
C47 C46 H46 107.3 .
P3 C46 H46 107.3 .
C46 C47 H47A 109.5 .
C46 C47 H47B 109.5 .
H47A C47 H47B 109.5 .
C46 C47 H47C 109.5 .
H47A C47 H47C 109.5 .
H47B C47 H47C 109.5 .
C46 C48 H48A 109.5 .
C46 C48 H48B 109.5 .
H48A C48 H48B 109.5 .
C46 C48 H48C 109.5 .
H48A C48 H48C 109.5 .
H48B C48 H48C 109.5 .
C51 C49 C50 109.5(5) .
C51 C49 P4 117.0(4) .
C50 C49 P4 110.6(4) .
C51 C49 H49 106.4 .
C50 C49 H49 106.4 .
P4 C49 H49 106.4 .
C49 C50 H50A 109.5 .
C49 C50 H50B 109.5 .
H50A C50 H50B 109.5 .
C49 C50 H50C 109.5 .
H50A C50 H50C 109.5 .
H50B C50 H50C 109.5 .
C49 C51 H51A 109.5 .
C49 C51 H51B 109.5 .
H51A C51 H51B 109.5 .
C49 C51 H51C 109.5 .
H51A C51 H51C 109.5 .
H51B C51 H51C 109.5 .
C53 C52 C54 108.4(5) .
C53 C52 P4 111.7(4) .
C54 C52 P4 116.2(5) .
C53 C52 H52 106.7 .
C54 C52 H52 106.7 .
P4 C52 H52 106.7 .
C52 C53 H53A 109.5 .
C52 C53 H53B 109.5 .
H53A C53 H53B 109.5 .
C52 C53 H53C 109.5 .
H53A C53 H53C 109.5 .
H53B C53 H53C 109.5 .
C52 C54 H54A 109.5 .
C52 C54 H54B 109.5 .
H54A C54 H54B 109.5 .
C52 C54 H54C 109.5 .
H54A C54 H54C 109.5 .
H54B C54 H54C 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 P1 2.2076(16) .
Rh1 P2 2.2079(14) .
Rh1 S1 2.4500(15) .
Rh1 S1 2.4789(14) 3_676
S1 C1 1.797(5) .
S1 Rh1 2.4788(14) 3_676
P1 C14 1.850(6) .
P1 C19 1.857(6) .
P1 C16 1.858(6) .
P2 C22 1.839(5) .
P2 C15 1.843(6) .
P2 C25 1.858(5) .
C1 C6 1.409(7) .
C1 C2 1.412(7) .
C2 C3 1.400(7) .
C2 C13 1.492(7) .
C3 C4 1.375(8) .
C3 H3 0.9500 .
C4 C5 1.370(8) .
C4 H4 0.9500 .
C5 C6 1.379(7) .
C5 H5 0.9500 .
C6 C7 1.507(7) .
C7 C8 1.385(7) .
C7 C12 1.389(7) .
C8 C9 1.386(7) .
C8 H8 0.9500 .
C9 C10 1.377(8) .
C9 H9 0.9500 .
C10 C11 1.366(8) .
C10 H10 0.9500 .
C11 C12 1.390(8) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 C15 1.535(7) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 C17 1.524(7) .
C16 C18 1.533(7) .
C16 H16 1.0000 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 C21 1.523(8) .
C19 C20 1.526(8) .
C19 H19 1.0000 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 C23 1.507(7) .
C22 C24 1.533(7) .
C22 H22 1.0000 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 C27 1.529(8) .
C25 C26 1.529(7) .
C25 H25 1.0000 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
Rh2 P4 2.2175(15) .
Rh2 P3 2.2226(17) .
Rh2 S2 2.4330(16) .
Rh2 S2 2.4353(14) 3_566
S2 C28 1.784(6) .
S2 Rh2 2.4353(14) 3_566
P3 C43 1.849(6) .
P3 C41 1.850(6) .
P3 C46 1.853(6) .
P4 C42 1.827(6) .
P4 C52 1.858(6) .
P4 C49 1.859(6) .
C28 C29 1.414(8) .
C28 C33 1.422(8) .
C29 C30 1.394(8) .
C29 C40 1.501(8) .
C30 C31 1.357(9) .
C30 H30 0.9500 .
C31 C32 1.370(9) .
C31 H31 0.9500 .
C32 C33 1.400(8) .
C32 H32 0.9500 .
C33 C34 1.486(9) .
C34 C35 1.391(9) .
C34 C39 1.397(8) .
C35 C36 1.384(8) .
C35 H35 0.9500 .
C36 C37 1.372(9) .
C36 H36 0.9500 .
C37 C38 1.366(10) .
C37 H37 0.9500 .
C38 C39 1.382(10) .
C38 H38 0.9500 .
C39 H39 0.9500 .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
C41 C42 1.520(8) .
C41 H41A 0.9900 .
C41 H41B 0.9900 .
C42 H42A 0.9900 .
C42 H42B 0.9900 .
C43 C44 1.510(8) .
C43 C45 1.525(9) .
C43 H43 1.0000 .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
C45 H45A 0.9800 .
C45 H45B 0.9800 .
C45 H45C 0.9800 .
C46 C48 1.529(9) .
C46 C47 1.540(9) .
C46 H46 1.0000 .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C47 H47C 0.9800 .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C49 C51 1.518(8) .
C49 C50 1.523(8) .
C49 H49 1.0000 .
C50 H50A 0.9800 .
C50 H50B 0.9800 .
C50 H50C 0.9800 .
C51 H51A 0.9800 .
C51 H51B 0.9800 .
C51 H51C 0.9800 .
C52 C53 1.517(8) .
C52 C54 1.524(8) .
C52 H52 1.0000 .
C53 H53A 0.9800 .
C53 H53B 0.9800 .
C53 H53C 0.9800 .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
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_4
P1 Rh1 S1 C1 19.4(5) . .
P2 Rh1 S1 C1 -73.90(19) . .
S1 Rh1 S1 C1 114.4(2) 3_676 .
P1 Rh1 S1 Rh1 -95.0(4) . 3_676
P2 Rh1 S1 Rh1 171.74(5) . 3_676
S1 Rh1 S1 Rh1 0.001(1) 3_676 3_676
P2 Rh1 P1 C14 -10.5(2) . .
S1 Rh1 P1 C14 -104.5(4) . .
S1 Rh1 P1 C14 161.6(2) 3_676 .
P2 Rh1 P1 C19 -131.0(2) . .
S1 Rh1 P1 C19 135.0(4) . .
S1 Rh1 P1 C19 41.1(2) 3_676 .
P2 Rh1 P1 C16 105.54(19) . .
S1 Rh1 P1 C16 11.5(5) . .
S1 Rh1 P1 C16 -82.37(19) 3_676 .
P1 Rh1 P2 C22 -127.1(2) . .
S1 Rh1 P2 C22 45.5(2) . .
S1 Rh1 P2 C22 120.2(4) 3_676 .
P1 Rh1 P2 C15 -5.5(2) . .
S1 Rh1 P2 C15 167.0(2) . .
S1 Rh1 P2 C15 -118.3(4) 3_676 .
P1 Rh1 P2 C25 110.3(2) . .
S1 Rh1 P2 C25 -77.2(2) . .
S1 Rh1 P2 C25 -2.5(5) 3_676 .
Rh1 S1 C1 C6 121.9(4) . .
Rh1 S1 C1 C6 -130.9(4) 3_676 .
Rh1 S1 C1 C2 -57.7(5) . .
Rh1 S1 C1 C2 49.6(5) 3_676 .
C6 C1 C2 C3 4.6(8) . .
S1 C1 C2 C3 -175.8(4) . .
C6 C1 C2 C13 -173.9(5) . .
S1 C1 C2 C13 5.6(8) . .
C1 C2 C3 C4 -1.0(9) . .
C13 C2 C3 C4 177.6(6) . .
C2 C3 C4 C5 -2.5(9) . .
C3 C4 C5 C6 2.4(9) . .
C4 C5 C6 C1 1.2(9) . .
C4 C5 C6 C7 -176.3(6) . .
C2 C1 C6 C5 -4.7(8) . .
S1 C1 C6 C5 175.7(4) . .
C2 C1 C6 C7 172.6(5) . .
S1 C1 C6 C7 -7.0(8) . .
C5 C6 C7 C8 -133.4(6) . .
C1 C6 C7 C8 49.2(9) . .
C5 C6 C7 C12 43.9(8) . .
C1 C6 C7 C12 -133.5(6) . .
C12 C7 C8 C9 -0.6(9) . .
C6 C7 C8 C9 176.7(5) . .
C7 C8 C9 C10 1.2(9) . .
C8 C9 C10 C11 -1.2(9) . .
C9 C10 C11 C12 0.7(9) . .
C8 C7 C12 C11 0.2(9) . .
C6 C7 C12 C11 -177.3(5) . .
C10 C11 C12 C7 -0.2(9) . .
C19 P1 C14 C15 157.9(4) . .
C16 P1 C14 C15 -96.4(4) . .
Rh1 P1 C14 C15 27.4(5) . .
P1 C14 C15 P2 -30.7(5) . .
C22 P2 C15 C14 153.9(4) . .
C25 P2 C15 C14 -100.3(4) . .
Rh1 P2 C15 C14 23.6(4) . .
C14 P1 C16 C17 69.5(4) . .
C19 P1 C16 C17 174.8(4) . .
Rh1 P1 C16 C17 -52.8(4) . .
C14 P1 C16 C18 -167.5(4) . .
C19 P1 C16 C18 -62.2(5) . .
Rh1 P1 C16 C18 70.2(4) . .
C14 P1 C19 C21 58.8(5) . .
C16 P1 C19 C21 -46.2(5) . .
Rh1 P1 C19 C21 -175.4(4) . .
C14 P1 C19 C20 -67.9(5) . .
C16 P1 C19 C20 -172.9(4) . .
Rh1 P1 C19 C20 57.9(5) . .
C15 P2 C22 C23 -72.1(4) . .
C25 P2 C22 C23 -176.8(4) . .
Rh1 P2 C22 C23 54.5(5) . .
C15 P2 C22 C24 55.3(5) . .
C25 P2 C22 C24 -49.4(5) . .
Rh1 P2 C22 C24 -178.1(4) . .
C22 P2 C25 C27 -62.3(4) . .
C15 P2 C25 C27 -168.5(4) . .
Rh1 P2 C25 C27 68.9(4) . .
C22 P2 C25 C26 173.3(4) . .
C15 P2 C25 C26 67.2(4) . .
Rh1 P2 C25 C26 -55.4(4) . .
P4 Rh2 S2 C28 -54.8(2) . .
P3 Rh2 S2 C28 -126.3(13) . .
S2 Rh2 S2 C28 118.9(2) 3_566 .
P4 Rh2 S2 Rh2 -173.63(6) . 3_566
P3 Rh2 S2 Rh2 114.9(13) . 3_566
S2 Rh2 S2 Rh2 0.0 3_566 3_566
P4 Rh2 P3 C43 131.9(2) . .
S2 Rh2 P3 C43 -156.4(12) . .
S2 Rh2 P3 C43 -41.9(2) 3_566 .
P4 Rh2 P3 C41 17.6(2) . .
S2 Rh2 P3 C41 89.3(13) . .
S2 Rh2 P3 C41 -156.2(2) 3_566 .
P4 Rh2 P3 C46 -101.0(2) . .
S2 Rh2 P3 C46 -29.3(14) . .
S2 Rh2 P3 C46 85.2(2) 3_566 .
P3 Rh2 P4 C42 2.0(2) . .
S2 Rh2 P4 C42 -175.6(2) . .
S2 Rh2 P4 C42 129.2(5) 3_566 .
P3 Rh2 P4 C52 123.5(2) . .
S2 Rh2 P4 C52 -54.1(2) . .
S2 Rh2 P4 C52 -109.2(5) 3_566 .
P3 Rh2 P4 C49 -115.1(2) . .
S2 Rh2 P4 C49 67.3(2) . .
S2 Rh2 P4 C49 12.1(5) 3_566 .
Rh2 S2 C28 C29 -62.2(5) . .
Rh2 S2 C28 C29 48.6(5) 3_566 .
Rh2 S2 C28 C33 116.6(5) . .
Rh2 S2 C28 C33 -132.6(5) 3_566 .
C33 C28 C29 C30 0.9(9) . .
S2 C28 C29 C30 179.7(5) . .
C33 C28 C29 C40 -175.7(6) . .
S2 C28 C29 C40 3.2(8) . .
C28 C29 C30 C31 2.0(10) . .
C40 C29 C30 C31 178.6(7) . .
C29 C30 C31 C32 -2.6(11) . .
C30 C31 C32 C33 0.2(12) . .
C31 C32 C33 C28 2.5(10) . .
C31 C32 C33 C34 -172.7(7) . .
C29 C28 C33 C32 -3.0(9) . .
S2 C28 C33 C32 178.2(5) . .
C29 C28 C33 C34 171.8(6) . .
S2 C28 C33 C34 -7.0(9) . .
C32 C33 C34 C35 -133.8(6) . .
C28 C33 C34 C35 51.5(9) . .
C32 C33 C34 C39 46.6(8) . .
C28 C33 C34 C39 -128.2(7) . .
C39 C34 C35 C36 -0.7(9) . .
C33 C34 C35 C36 179.6(6) . .
C34 C35 C36 C37 2.2(10) . .
C35 C36 C37 C38 -1.7(10) . .
C36 C37 C38 C39 -0.1(11) . .
C37 C38 C39 C34 1.6(11) . .
C35 C34 C39 C38 -1.1(10) . .
C33 C34 C39 C38 178.6(6) . .
C43 P3 C41 C42 -162.4(4) . .
C46 P3 C41 C42 92.5(5) . .
Rh2 P3 C41 C42 -38.3(5) . .
P3 C41 C42 P4 39.3(5) . .
C52 P4 C42 C41 -153.8(4) . .
C49 P4 C42 C41 98.0(5) . .
Rh2 P4 C42 C41 -25.6(5) . .
C41 P3 C43 C44 77.4(5) . .
C46 P3 C43 C44 -177.7(4) . .
Rh2 P3 C43 C44 -41.2(5) . .
C41 P3 C43 C45 -48.5(5) . .
C46 P3 C43 C45 56.4(5) . .
Rh2 P3 C43 C45 -167.1(4) . .
C43 P3 C46 C48 47.3(5) . .
C41 P3 C46 C48 151.8(5) . .
Rh2 P3 C46 C48 -86.1(5) . .
C43 P3 C46 C47 171.8(5) . .
C41 P3 C46 C47 -83.7(5) . .
Rh2 P3 C46 C47 38.4(5) . .
C42 P4 C49 C51 62.9(5) . .
C52 P4 C49 C51 -46.3(6) . .
Rh2 P4 C49 C51 -174.7(4) . .
C42 P4 C49 C50 -63.4(5) . .
C52 P4 C49 C50 -172.6(4) . .
Rh2 P4 C49 C50 59.0(5) . .
C42 P4 C52 C53 100.4(5) . .
C49 P4 C52 C53 -151.8(5) . .
Rh2 P4 C52 C53 -25.0(5) . .
C42 P4 C52 C54 -24.7(6) . .
C49 P4 C52 C54 83.2(5) . .
Rh2 P4 C52 C54 -150.1(4) . .
