# Electronic Supplementary Material (ESI) for Catalysis Science & Technology.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ax1735abs2
_database_code_depnum_ccdc_archive 'CCDC 1978167'
loop_
_audit_author_name
_audit_author_address
'Hans-Joachim Drexler'
;LIKAT
Germany
;
_audit_update_record             
;
2020-01-16 deposited with the CCDC.	2021-03-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C23 H37 Cl N P2 Rh S2'
_chemical_formula_weight         591.95

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'
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'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   18.4250(7)
_cell_length_b                   8.8088(4)
_cell_length_c                   17.9270(7)
_cell_angle_alpha                90
_cell_angle_beta                 113.4200(10)
_cell_angle_gamma                90
_cell_volume                     2669.89(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9671
_cell_measurement_theta_min      2.61
_cell_measurement_theta_max      33.10

_exptl_crystal_description       'part of prism'
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.473
_exptl_crystal_F_000             1224
_exptl_crystal_size_max          0.437
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.122
_exptl_absorpt_coefficient_mu    1.028
_shelx_estimated_absorpt_T_min   0.662
_shelx_estimated_absorpt_T_max   0.885
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.66
_exptl_absorpt_correction_T_max  0.89
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_absorpt_special_details   ?

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.3333
_diffrn_reflns_number            73849
_diffrn_reflns_av_unetI/netI     0.0177
_diffrn_reflns_av_R_equivalents  0.0488
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.283
_diffrn_reflns_theta_max         26.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             5818
_reflns_number_gt                5250
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX2 (Bruker, 2014)'
_computing_cell_refinement       'SAINT (Bruker, 2013)'
_computing_data_reduction        'SAINT (Bruker, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0278P)²+0.8025P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5818
_refine_ls_number_parameters     283
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0226
_refine_ls_R_factor_gt           0.0192
_refine_ls_wR_factor_ref         0.0505
_refine_ls_wR_factor_gt          0.0491
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_restrained_S_all      1.054
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.25887(2) 0.18836(2) 1.00297(2) 0.01615(4) Uani 1 1 d . . . . .
Cl1 Cl 0.29029(2) -0.01347(4) 0.92640(2) 0.02720(9) Uani 1 1 d . . . . .
S1 S 0.40110(2) 0.43598(5) 1.12554(2) 0.02687(9) Uani 1 1 d . . . . .
S2 S 0.09273(2) 0.22779(5) 1.04657(2) 0.02704(9) Uani 1 1 d . . . . .
P1 P 0.39067(2) 0.21464(5) 1.07807(2) 0.02068(9) Uani 1 1 d . . . . .
P2 P 0.12609(2) 0.13979(5) 0.95602(2) 0.01991(8) Uani 1 1 d . . . . .
N1 N 0.24888(7) 0.35239(14) 0.90557(7) 0.0188(3) Uani 1 1 d . . . . .
C1 C 0.30520(9) 0.44012(17) 1.12859(9) 0.0215(3) Uani 1 1 d . . . . .
C2 C 0.29711(10) 0.54111(19) 1.18470(10) 0.0283(4) Uani 1 1 d . . . . .
H2 H 0.3400 0.6046 1.2162 0.034 Uiso 1 1 calc R U . . .
C3 C 0.22636(11) 0.54842(18) 1.19427(10) 0.0294(4) Uani 1 1 d . . . . .
H3 H 0.2203 0.6173 1.2322 0.035 Uiso 1 1 calc R U . . .
C4 C 0.16472(10) 0.45532(18) 1.14853(10) 0.0262(3) Uani 1 1 d . . . . .
H4 H 0.1158 0.4606 1.1545 0.031 Uiso 1 1 calc R U . . .
C5 C 0.17395(9) 0.35335(17) 1.09353(9) 0.0206(3) Uani 1 1 d . . . . .
C6 C 0.24402(9) 0.34208(17) 1.07981(8) 0.0187(3) Uani 1 1 d . . . . .
C7 C 0.43516(10) 0.0903(2) 1.16783(10) 0.0303(4) Uani 1 1 d . . . . .
H7 H 0.4911 0.1239 1.1984 0.036 Uiso 1 1 calc R U . . .
C8 C 0.39249(11) 0.1022(2) 1.22497(11) 0.0396(4) Uani 1 1 d . . . . .
H8A H 0.3385 0.0631 1.1977 0.059 Uiso 1 1 calc R U . . .
H8B H 0.3906 0.2088 1.2399 0.059 Uiso 1 1 calc R U . . .
H8C H 0.4209 0.0425 1.2741 0.059 Uiso 1 1 calc R U . . .
C9 C 0.43695(14) -0.0735(2) 1.14081(13) 0.0513(6) Uani 1 1 d . . . . .
H9A H 0.4582 -0.1394 1.1887 0.077 Uiso 1 1 calc R U . . .
H9B H 0.4706 -0.0803 1.1102 0.077 Uiso 1 1 calc R U . . .
H9C H 0.3832 -0.1061 1.1062 0.077 Uiso 1 1 calc R U . . .
C10 C 0.46339(9) 0.20999(19) 1.03096(10) 0.0262(3) Uani 1 1 d . . . . .
H10 H 0.4645 0.1033 1.0124 0.031 Uiso 1 1 calc R U . . .
C11 C 0.54743(10) 0.2478(2) 1.09005(12) 0.0394(4) Uani 1 1 d . . . . .
H11A H 0.5828 0.2450 1.0613 0.059 Uiso 1 1 calc R U . . .
H11B H 0.5650 0.1733 1.1342 0.059 Uiso 1 1 calc R U . . .
H11C H 0.5484 0.3495 1.1126 0.059 Uiso 1 1 calc R U . . .
C12 C 0.43784(11) 0.3102(2) 0.95515(11) 0.0355(4) Uani 1 1 d . . . . .
H12A H 0.4290 0.4140 0.9693 0.053 Uiso 1 1 calc R U . . .
H12B H 0.3888 0.2703 0.9136 0.053 Uiso 1 1 calc R U . . .
H12C H 0.4794 0.3105 0.9340 0.053 Uiso 1 1 calc R U . . .
C13 C 0.09390(10) -0.06028(18) 0.95008(10) 0.0281(4) Uani 1 1 d . . . . .
H13 H 0.0402 -0.0615 0.9515 0.034 Uiso 1 1 calc R U . . .
C14 C 0.14926(12) -0.1526(2) 1.02228(12) 0.0379(4) Uani 1 1 d . . . . .
H14A H 0.1272 -0.2544 1.0207 0.057 Uiso 1 1 calc R U . . .
H14B H 0.1550 -0.1020 1.0730 0.057 Uiso 1 1 calc R U . . .
H14C H 0.2012 -0.1609 1.0195 0.057 Uiso 1 1 calc R U . . .
C15 C 0.08718(12) -0.1331(2) 0.87027(11) 0.0388(4) Uani 1 1 d . . . . .
H15A H 0.1388 -0.1304 0.8666 0.058 Uiso 1 1 calc R U . . .
H15B H 0.0485 -0.0769 0.8245 0.058 Uiso 1 1 calc R U . . .
H15C H 0.0699 -0.2387 0.8685 0.058 Uiso 1 1 calc R U . . .
C16 C 0.05264(9) 0.2303(2) 0.86281(9) 0.0266(3) Uani 1 1 d . . . . .
H16 H 0.0660 0.2000 0.8160 0.032 Uiso 1 1 calc R U . . .
C17 C 0.05875(10) 0.4036(2) 0.87025(11) 0.0335(4) Uani 1 1 d . . . . .
H17A H 0.0246 0.4498 0.8184 0.050 Uiso 1 1 calc R U . . .
H17B H 0.1136 0.4348 0.8841 0.050 Uiso 1 1 calc R U . . .
H17C H 0.0419 0.4372 0.9130 0.050 Uiso 1 1 calc R U . . .
C18 C -0.03279(10) 0.1825(2) 0.84297(11) 0.0368(4) Uani 1 1 d . . . . .
H18A H -0.0476 0.2118 0.8878 0.055 Uiso 1 1 calc R U . . .
H18B H -0.0375 0.0722 0.8356 0.055 Uiso 1 1 calc R U . . .
H18C H -0.0680 0.2328 0.7929 0.055 Uiso 1 1 calc R U . . .
C19 C 0.26045(9) 0.50265(17) 0.91863(9) 0.0212(3) Uani 1 1 d . . . . .
H19 H 0.2743 0.5398 0.9723 0.025 Uiso 1 1 calc R U . . .
C20 C 0.25323(9) 0.60509(18) 0.85811(10) 0.0248(3) Uani 1 1 d . . . . .
H20 H 0.2624 0.7102 0.8701 0.030 Uiso 1 1 calc R U . . .
C21 C 0.23239(10) 0.55255(19) 0.77960(10) 0.0296(4) Uani 1 1 d . . . . .
H21 H 0.2272 0.6206 0.7367 0.035 Uiso 1 1 calc R U . . .
C22 C 0.21924(10) 0.39886(19) 0.76504(10) 0.0284(4) Uani 1 1 d . . . . .
H22 H 0.2042 0.3597 0.7116 0.034 Uiso 1 1 calc R U . . .
C23 C 0.22815(9) 0.30304(17) 0.82883(9) 0.0220(3) Uani 1 1 d . . . . .
H23 H 0.2193 0.1975 0.8182 0.026 Uiso 1 1 calc R U . . .
H1 H 0.2587(11) 0.074(2) 1.0647(11) 0.037(5) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 C6 2.0262(15) . ?
Rh1 N1 2.2169(13) . ?
Rh1 P1 2.2726(4) . ?
Rh1 P2 2.2891(4) . ?
Rh1 Cl1 2.4519(4) . ?
Rh1 H1 1.501(18) . ?
S1 C1 1.7898(16) . ?
S1 P1 2.1054(6) . ?
S2 C5 1.7804(16) . ?
S2 P2 2.0993(6) . ?
P1 C10 1.8466(16) . ?
P1 C7 1.8472(16) . ?
P2 C13 1.8490(16) . ?
P2 C16 1.8607(16) . ?
N1 C23 1.3454(19) . ?
N1 C19 1.3463(19) . ?
C1 C2 1.394(2) . ?
C1 C6 1.413(2) . ?
C2 C3 1.382(2) . ?
C2 H2 0.9500 . ?
C3 C4 1.376(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.393(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.411(2) . ?
C7 C8 1.523(2) . ?
C7 C9 1.527(3) . ?
C7 H7 1.0000 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.526(2) . ?
C10 C12 1.529(2) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.526(2) . ?
C13 C15 1.527(2) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C18 1.529(2) . ?
C16 C17 1.533(2) . ?
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 C20 1.376(2) . ?
C19 H19 0.9500 . ?
C20 C21 1.383(2) . ?
C20 H20 0.9500 . ?
C21 C22 1.382(2) . ?
C21 H21 0.9500 . ?
C22 C23 1.378(2) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?

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
C6 Rh1 N1 96.23(6) . . ?
C6 Rh1 P1 86.01(4) . . ?
N1 Rh1 P1 97.75(3) . . ?
C6 Rh1 P2 87.79(4) . . ?
N1 Rh1 P2 95.17(3) . . ?
P1 Rh1 P2 166.196(15) . . ?
C6 Rh1 Cl1 172.26(4) . . ?
N1 Rh1 Cl1 89.76(3) . . ?
P1 Rh1 Cl1 88.340(14) . . ?
P2 Rh1 Cl1 96.563(14) . . ?
C6 Rh1 H1 84.7(7) . . ?
N1 Rh1 H1 175.3(7) . . ?
P1 Rh1 H1 86.9(7) . . ?
P2 Rh1 H1 80.2(7) . . ?
Cl1 Rh1 H1 89.7(7) . . ?
C1 S1 P1 95.66(5) . . ?
C5 S2 P2 98.37(5) . . ?
C10 P1 C7 103.52(8) . . ?
C10 P1 S1 103.84(6) . . ?
C7 P1 S1 105.03(6) . . ?
C10 P1 Rh1 121.70(6) . . ?
C7 P1 Rh1 117.09(6) . . ?
S1 P1 Rh1 103.778(19) . . ?
C13 P2 C16 104.76(8) . . ?
C13 P2 S2 102.16(6) . . ?
C16 P2 S2 101.78(6) . . ?
C13 P2 Rh1 118.09(6) . . ?
C16 P2 Rh1 122.66(5) . . ?
S2 P2 Rh1 104.197(19) . . ?
C23 N1 C19 117.16(13) . . ?
C23 N1 Rh1 119.72(10) . . ?
C19 N1 Rh1 123.10(10) . . ?
C2 C1 C6 123.27(14) . . ?
C2 C1 S1 115.14(12) . . ?
C6 C1 S1 121.53(11) . . ?
C3 C2 C1 119.71(15) . . ?
C3 C2 H2 120.1 . . ?
C1 C2 H2 120.1 . . ?
C4 C3 C2 119.60(15) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C5 120.12(15) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
C4 C5 C6 123.12(14) . . ?
C4 C5 S2 114.78(12) . . ?
C6 C5 S2 121.96(11) . . ?
C5 C6 C1 114.16(13) . . ?
C5 C6 Rh1 123.08(11) . . ?
C1 C6 Rh1 122.61(11) . . ?
C8 C7 C9 111.14(17) . . ?
C8 C7 P1 112.09(12) . . ?
C9 C7 P1 110.01(12) . . ?
C8 C7 H7 107.8 . . ?
C9 C7 H7 107.8 . . ?
P1 C7 H7 107.8 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 C12 111.10(15) . . ?
C11 C10 P1 113.47(12) . . ?
C12 C10 P1 111.75(11) . . ?
C11 C10 H10 106.7 . . ?
C12 C10 H10 106.7 . . ?
P1 C10 H10 106.7 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C15 110.41(15) . . ?
C14 C13 P2 111.61(11) . . ?
C15 C13 P2 111.03(12) . . ?
C14 C13 H13 107.9 . . ?
C15 C13 H13 107.9 . . ?
P2 C13 H13 107.9 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C18 C16 C17 109.16(14) . . ?
C18 C16 P2 113.88(12) . . ?
C17 C16 P2 110.29(11) . . ?
C18 C16 H16 107.8 . . ?
C17 C16 H16 107.8 . . ?
P2 C16 H16 107.8 . . ?
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 . . ?
N1 C19 C20 123.27(14) . . ?
N1 C19 H19 118.4 . . ?
C20 C19 H19 118.4 . . ?
C19 C20 C21 118.91(15) . . ?
C19 C20 H20 120.5 . . ?
C21 C20 H20 120.5 . . ?
C22 C21 C20 118.49(15) . . ?
C22 C21 H21 120.8 . . ?
C20 C21 H21 120.8 . . ?
C23 C22 C21 119.30(15) . . ?
C23 C22 H22 120.3 . . ?
C21 C22 H22 120.3 . . ?
N1 C23 C22 122.86(14) . . ?
N1 C23 H23 118.6 . . ?
C22 C23 H23 118.6 . . ?

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
P1 S1 C1 C2 155.81(12) . . . . ?
P1 S1 C1 C6 -21.40(13) . . . . ?
C6 C1 C2 C3 -0.1(2) . . . . ?
S1 C1 C2 C3 -177.30(13) . . . . ?
C1 C2 C3 C4 0.3(2) . . . . ?
C2 C3 C4 C5 0.6(2) . . . . ?
C3 C4 C5 C6 -1.8(2) . . . . ?
C3 C4 C5 S2 173.94(13) . . . . ?
P2 S2 C5 C4 168.38(11) . . . . ?
P2 S2 C5 C6 -15.84(13) . . . . ?
C4 C5 C6 C1 1.8(2) . . . . ?
S2 C5 C6 C1 -173.58(11) . . . . ?
C4 C5 C6 Rh1 177.61(12) . . . . ?
S2 C5 C6 Rh1 2.19(18) . . . . ?
C2 C1 C6 C5 -0.9(2) . . . . ?
S1 C1 C6 C5 176.09(11) . . . . ?
C2 C1 C6 Rh1 -176.67(12) . . . . ?
S1 C1 C6 Rh1 0.30(18) . . . . ?
C10 P1 C7 C8 168.82(13) . . . . ?
S1 P1 C7 C8 60.20(14) . . . . ?
Rh1 P1 C7 C8 -54.28(15) . . . . ?
C10 P1 C7 C9 -66.99(15) . . . . ?
S1 P1 C7 C9 -175.61(13) . . . . ?
Rh1 P1 C7 C9 69.91(15) . . . . ?
C7 P1 C10 C11 -52.33(15) . . . . ?
S1 P1 C10 C11 57.18(14) . . . . ?
Rh1 P1 C10 C11 173.31(11) . . . . ?
C7 P1 C10 C12 -178.90(12) . . . . ?
S1 P1 C10 C12 -69.38(12) . . . . ?
Rh1 P1 C10 C12 46.75(14) . . . . ?
C16 P2 C13 C14 179.10(13) . . . . ?
S2 P2 C13 C14 -75.07(13) . . . . ?
Rh1 P2 C13 C14 38.47(14) . . . . ?
C16 P2 C13 C15 55.45(14) . . . . ?
S2 P2 C13 C15 161.28(11) . . . . ?
Rh1 P2 C13 C15 -85.18(13) . . . . ?
C13 P2 C16 C18 42.06(15) . . . . ?
S2 P2 C16 C18 -64.04(13) . . . . ?
Rh1 P2 C16 C18 -179.59(10) . . . . ?
C13 P2 C16 C17 165.18(12) . . . . ?
S2 P2 C16 C17 59.07(12) . . . . ?
Rh1 P2 C16 C17 -56.48(13) . . . . ?
C23 N1 C19 C20 -1.0(2) . . . . ?
Rh1 N1 C19 C20 -179.07(11) . . . . ?
N1 C19 C20 C21 0.6(2) . . . . ?
C19 C20 C21 C22 0.3(2) . . . . ?
C20 C21 C22 C23 -0.8(3) . . . . ?
C19 N1 C23 C22 0.5(2) . . . . ?
Rh1 N1 C23 C22 178.64(12) . . . . ?
C21 C22 C23 N1 0.4(3) . . . . ?

_refine_diff_density_max         0.583
_refine_diff_density_min         -0.384
_refine_diff_density_rms         0.054


_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_AX1722abs
_database_code_depnum_ccdc_archive 'CCDC 1979143'
loop_
_audit_author_name
_audit_author_address
'Hans-Joachim Drexler'
;LIKAT
Germany
;
_audit_update_record             
;
2020-01-21 deposited with the CCDC.	2021-03-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H32 Cl P2 Rh S2'
_chemical_formula_weight         512.85

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'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   11.1268(4)
_cell_length_b                   11.9807(5)
_cell_length_c                   17.1003(7)
_cell_angle_alpha                90
_cell_angle_beta                 92.1410(10)
_cell_angle_gamma                90
_cell_volume                     2278.00(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9827
_cell_measurement_theta_min      2.80
_cell_measurement_theta_max      30.53

_exptl_crystal_description       'part of prism'
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.495
_exptl_crystal_F_000             1056
_exptl_crystal_size_max          0.367
_exptl_crystal_size_mid          0.294
_exptl_crystal_size_min          0.240
_exptl_absorpt_coefficient_mu    1.190
_shelx_estimated_absorpt_T_min   0.669
_shelx_estimated_absorpt_T_max   0.763
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.71
_exptl_absorpt_correction_T_max  0.76
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_absorpt_special_details   ?

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.3333
_diffrn_reflns_number            58736
_diffrn_reflns_av_unetI/netI     0.0147
_diffrn_reflns_av_R_equivalents  0.0244
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.831
_diffrn_reflns_theta_max         29.574
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             6390
_reflns_number_gt                5657
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX2 (Bruker, 2014)'
_computing_cell_refinement       'SAINT (Bruker, 2013)'
_computing_data_reduction        'SAINT (Bruker, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0277P)²+1.9633P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6390
_refine_ls_number_parameters     243
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0298
_refine_ls_R_factor_gt           0.0245
_refine_ls_wR_factor_ref         0.0619
_refine_ls_wR_factor_gt          0.0582
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_restrained_S_all      1.025
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.75130(2) 0.88966(2) 0.18051(2) 0.02042(4) Uani 1 1 d D . . . .
Cl1 Cl 0.5578(5) 0.9027(8) 0.2359(8) 0.0546(15) Uani 0.45(2) 1 d D . P A 1
H1 H 0.838(4) 0.823(4) 0.226(3) 0.034(14) Uiso 0.45(2) 1 d D . P A 1
Cl1' Cl 0.5789(6) 0.8768(6) 0.2598(4) 0.0508(10) Uani 0.55(2) 1 d D . P A 2
H1' H 0.726(5) 0.952(4) 0.109(2) 0.073(18) Uiso 0.55(2) 1 d D . P A 2
S1 S 0.85272(4) 0.67967(4) 0.06041(3) 0.03163(10) Uani 1 1 d . . . . .
S2 S 0.96379(4) 1.10238(4) 0.18369(3) 0.03039(10) Uani 1 1 d . . . . .
P1 P 0.69443(4) 0.73719(4) 0.10880(3) 0.02284(9) Uani 1 1 d . . . . .
P2 P 0.81609(4) 1.04629(4) 0.24444(2) 0.02159(9) Uani 1 1 d . . . . .
C1 C 0.94053(14) 0.80264(14) 0.07372(9) 0.0214(3) Uani 1 1 d . . . . .
C2 C 1.04557(15) 0.80449(16) 0.03155(10) 0.0258(3) Uani 1 1 d . . . . .
H2 H 1.0636 0.7442 -0.0022 0.031 Uiso 1 1 calc R U . . .
C3 C 1.12329(15) 0.89432(16) 0.03898(10) 0.0268(4) Uani 1 1 d . . . . .
H3 H 1.1951 0.8959 0.0107 0.032 Uiso 1 1 calc R U . . .
C4 C 1.09569(14) 0.98158(15) 0.08779(10) 0.0247(3) Uani 1 1 d . . . . .
H4 H 1.1494 1.0429 0.0940 0.030 Uiso 1 1 calc R U . . .
C5 C 0.98906(14) 0.97986(14) 0.12806(9) 0.0204(3) Uani 1 1 d . . . . .
C6 C 0.90660(13) 0.89050(13) 0.12306(9) 0.0187(3) Uani 1 1 d . . . . .
C7 C 0.58953(16) 0.76128(19) 0.02435(11) 0.0350(4) Uani 1 1 d . . . . .
H7 H 0.5818 0.6899 -0.0058 0.042 Uiso 1 1 calc R U . . .
C8 C 0.6390(2) 0.8495(3) -0.02944(17) 0.0714(10) Uani 1 1 d . . . . .
H8A H 0.5850 0.8577 -0.0757 0.107 Uiso 1 1 calc R U . . .
H8B H 0.7189 0.8269 -0.0458 0.107 Uiso 1 1 calc R U . . .
H8C H 0.6450 0.9209 -0.0016 0.107 Uiso 1 1 calc R U . . .
C9 C 0.4659(2) 0.7928(3) 0.05173(15) 0.0632(8) Uani 1 1 d . . . . .
H9A H 0.4712 0.8629 0.0812 0.095 Uiso 1 1 calc R U . . .
H9B H 0.4359 0.7336 0.0854 0.095 Uiso 1 1 calc R U . . .
H9C H 0.4106 0.8023 0.0062 0.095 Uiso 1 1 calc R U . . .
C10 C 0.63536(17) 0.61485(15) 0.15922(11) 0.0286(4) Uani 1 1 d . . . . .
H10 H 0.5510 0.6330 0.1730 0.034 Uiso 1 1 calc R U . . .
C11 C 0.6295(2) 0.51033(19) 0.10838(13) 0.0461(6) Uani 1 1 d . . . . .
H11A H 0.7112 0.4866 0.0967 0.069 Uiso 1 1 calc R U . . .
H11B H 0.5844 0.5267 0.0594 0.069 Uiso 1 1 calc R U . . .
H11C H 0.5890 0.4505 0.1363 0.069 Uiso 1 1 calc R U . . .
C12 C 0.7064(2) 0.59391(19) 0.23609(13) 0.0417(5) Uani 1 1 d . . . . .
H12A H 0.6699 0.5319 0.2641 0.063 Uiso 1 1 calc R U . . .
H12B H 0.7052 0.6613 0.2685 0.063 Uiso 1 1 calc R U . . .
H12C H 0.7898 0.5751 0.2250 0.063 Uiso 1 1 calc R U . . .
C13 C 0.71253(16) 1.16529(15) 0.24198(10) 0.0269(3) Uani 1 1 d . . . . .
H13 H 0.6448 1.1459 0.2763 0.032 Uiso 1 1 calc R U . . .
C14 C 0.6585(2) 1.1811(2) 0.15926(14) 0.0492(6) Uani 1 1 d . . . . .
H14A H 0.5973 1.2399 0.1596 0.074 Uiso 1 1 calc R U . . .
H14B H 0.6216 1.1111 0.1411 0.074 Uiso 1 1 calc R U . . .
H14C H 0.7221 1.2026 0.1241 0.074 Uiso 1 1 calc R U . . .
C15 C 0.76770(19) 1.27313(16) 0.27335(12) 0.0360(4) Uani 1 1 d . . . . .
H15A H 0.8323 1.2968 0.2396 0.054 Uiso 1 1 calc R U . . .
H15B H 0.8006 1.2609 0.3266 0.054 Uiso 1 1 calc R U . . .
H15C H 0.7058 1.3312 0.2741 0.054 Uiso 1 1 calc R U . . .
C16 C 0.87392(18) 1.03499(17) 0.34635(10) 0.0308(4) Uani 1 1 d . . . . .
H16 H 0.9215 1.1039 0.3589 0.037 Uiso 1 1 calc R U . . .
C17 C 0.7721(2) 1.0283(2) 0.40334(13) 0.0523(6) Uani 1 1 d . . . . .
H17A H 0.7204 0.9645 0.3898 0.078 Uiso 1 1 calc R U . . .
H17B H 0.7246 1.0972 0.4002 0.078 Uiso 1 1 calc R U . . .
H17C H 0.8058 1.0191 0.4567 0.078 Uiso 1 1 calc R U . . .
C18 C 0.9588(2) 0.9352(2) 0.35482(14) 0.0440(5) Uani 1 1 d . . . . .
H18A H 0.9992 0.9366 0.4067 0.066 Uiso 1 1 calc R U . . .
H18B H 1.0190 0.9391 0.3146 0.066 Uiso 1 1 calc R U . . .
H18C H 0.9126 0.8659 0.3486 0.066 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 C6 2.0194(15) . ?
Rh1 P2 2.2753(5) . ?
Rh1 P1 2.2766(5) . ?
Rh1 Cl1 2.390(2) . ?
Rh1 Cl1' 2.395(2) . ?
Rh1 H1 1.45(4) . ?
Rh1 H1' 1.45(4) . ?
S1 C1 1.7778(17) . ?
S1 P1 2.0905(6) . ?
S2 C5 1.7773(17) . ?
S2 P2 2.0878(6) . ?
P1 C10 1.8347(18) . ?
P1 C7 1.8453(19) . ?
P2 C13 1.8327(18) . ?
P2 C16 1.8401(18) . ?
C1 C2 1.396(2) . ?
C1 C6 1.409(2) . ?
C2 C3 1.383(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.380(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.394(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.411(2) . ?
C7 C9 1.518(3) . ?
C7 C8 1.518(3) . ?
C7 H7 1.0000 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.524(3) . ?
C10 C12 1.529(3) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C15 1.520(3) . ?
C13 C14 1.528(3) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.524(3) . ?
C16 C18 1.527(3) . ?
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 . ?

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
C6 Rh1 P2 88.17(5) . . ?
C6 Rh1 P1 88.14(5) . . ?
P2 Rh1 P1 175.723(16) . . ?
C6 Rh1 Cl1 173.0(4) . . ?
P2 Rh1 Cl1 91.69(10) . . ?
P1 Rh1 Cl1 91.70(11) . . ?
C6 Rh1 Cl1' 173.6(3) . . ?
P2 Rh1 Cl1' 91.56(8) . . ?
P1 Rh1 Cl1' 92.34(9) . . ?
C6 Rh1 H1 72.7(19) . . ?
P2 Rh1 H1 90(2) . . ?
P1 Rh1 H1 91(2) . . ?
Cl1 Rh1 H1 114.2(19) . . ?
C6 Rh1 H1' 74(2) . . ?
P2 Rh1 H1' 92(2) . . ?
P1 Rh1 H1' 85(2) . . ?
Cl1' Rh1 H1' 112(2) . . ?
C1 S1 P1 98.24(6) . . ?
C5 S2 P2 98.26(5) . . ?
C10 P1 C7 105.40(9) . . ?
C10 P1 S1 104.15(7) . . ?
C7 P1 S1 105.03(7) . . ?
C10 P1 Rh1 119.02(6) . . ?
C7 P1 Rh1 116.81(8) . . ?
S1 P1 Rh1 104.86(2) . . ?
C13 P2 C16 106.04(8) . . ?
C13 P2 S2 104.13(6) . . ?
C16 P2 S2 103.95(7) . . ?
C13 P2 Rh1 116.29(6) . . ?
C16 P2 Rh1 119.19(7) . . ?
S2 P2 Rh1 105.52(2) . . ?
C2 C1 C6 123.06(15) . . ?
C2 C1 S1 114.44(13) . . ?
C6 C1 S1 122.50(12) . . ?
C3 C2 C1 119.82(16) . . ?
C3 C2 H2 120.1 . . ?
C1 C2 H2 120.1 . . ?
C4 C3 C2 119.51(15) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C5 120.03(16) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 C6 123.03(15) . . ?
C4 C5 S2 114.00(13) . . ?
C6 C5 S2 122.94(12) . . ?
C1 C6 C5 114.51(14) . . ?
C1 C6 Rh1 122.74(11) . . ?
C5 C6 Rh1 122.74(12) . . ?
C9 C7 C8 111.5(2) . . ?
C9 C7 P1 110.59(15) . . ?
C8 C7 P1 110.49(14) . . ?
C9 C7 H7 108.0 . . ?
C8 C7 H7 108.0 . . ?
P1 C7 H7 108.0 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 C12 111.43(18) . . ?
C11 C10 P1 113.38(13) . . ?
C12 C10 P1 110.62(13) . . ?
C11 C10 H10 107.0 . . ?
C12 C10 H10 107.0 . . ?
P1 C10 H10 107.0 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C15 C13 C14 111.16(17) . . ?
C15 C13 P2 114.08(13) . . ?
C14 C13 P2 110.06(13) . . ?
C15 C13 H13 107.1 . . ?
C14 C13 H13 107.1 . . ?
P2 C13 H13 107.1 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C18 111.73(18) . . ?
C17 C16 P2 111.57(15) . . ?
C18 C16 P2 109.91(14) . . ?
C17 C16 H16 107.8 . . ?
C18 C16 H16 107.8 . . ?
P2 C16 H16 107.8 . . ?
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 . . ?

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
P1 S1 C1 C2 -165.87(12) . . . . ?
P1 S1 C1 C6 14.33(14) . . . . ?
C6 C1 C2 C3 1.8(3) . . . . ?
S1 C1 C2 C3 -178.01(13) . . . . ?
C1 C2 C3 C4 -0.4(3) . . . . ?
C2 C3 C4 C5 -1.2(3) . . . . ?
C3 C4 C5 C6 1.5(3) . . . . ?
C3 C4 C5 S2 -176.51(13) . . . . ?
P2 S2 C5 C4 -170.77(11) . . . . ?
P2 S2 C5 C6 11.23(14) . . . . ?
C2 C1 C6 C5 -1.5(2) . . . . ?
S1 C1 C6 C5 178.28(12) . . . . ?
C2 C1 C6 Rh1 177.55(13) . . . . ?
S1 C1 C6 Rh1 -2.67(19) . . . . ?
C4 C5 C6 C1 -0.1(2) . . . . ?
S2 C5 C6 C1 177.68(12) . . . . ?
C4 C5 C6 Rh1 -179.18(12) . . . . ?
S2 C5 C6 Rh1 -1.36(19) . . . . ?
C10 P1 C7 C9 64.8(2) . . . . ?
S1 P1 C7 C9 174.46(18) . . . . ?
Rh1 P1 C7 C9 -69.87(19) . . . . ?
C10 P1 C7 C8 -171.2(2) . . . . ?
S1 P1 C7 C8 -61.6(2) . . . . ?
Rh1 P1 C7 C8 54.1(2) . . . . ?
C7 P1 C10 C11 60.50(18) . . . . ?
S1 P1 C10 C11 -49.80(17) . . . . ?
Rh1 P1 C10 C11 -166.05(14) . . . . ?
C7 P1 C10 C12 -173.47(15) . . . . ?
S1 P1 C10 C12 76.23(14) . . . . ?
Rh1 P1 C10 C12 -40.02(16) . . . . ?
C16 P2 C13 C15 54.72(16) . . . . ?
S2 P2 C13 C15 -54.61(14) . . . . ?
Rh1 P2 C13 C15 -170.21(12) . . . . ?
C16 P2 C13 C14 -179.55(15) . . . . ?
S2 P2 C13 C14 71.12(15) . . . . ?
Rh1 P2 C13 C14 -44.48(17) . . . . ?
C13 P2 C16 C17 53.80(18) . . . . ?
S2 P2 C16 C17 163.25(15) . . . . ?
Rh1 P2 C16 C17 -79.71(16) . . . . ?
C13 P2 C16 C18 178.31(15) . . . . ?
S2 P2 C16 C18 -72.23(15) . . . . ?
Rh1 P2 C16 C18 44.80(17) . . . . ?

_refine_diff_density_max         0.797
_refine_diff_density_min         -0.320
_refine_diff_density_rms         0.068


_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_AX1583abs
_database_code_depnum_ccdc_archive 'CCDC 2047590'
loop_
_audit_author_name
_audit_author_address
'Hans-Joachim Drexler'
;LIKAT
Germany
;
_audit_update_record             
;
2020-12-01 deposited with the CCDC.	2021-03-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C35 H29 Cl N P2 Rh S2'
_chemical_formula_weight         728.01

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'
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'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_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'

_cell_length_a                   9.2984(2)
_cell_length_b                   15.2480(3)
_cell_length_c                   22.7278(4)
_cell_angle_alpha                90
_cell_angle_beta                 100.4790(10)
_cell_angle_gamma                90
_cell_volume                     3168.65(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9941
_cell_measurement_theta_min      2.60
_cell_measurement_theta_max      30.54

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.526
_exptl_crystal_F_000             1480
_exptl_crystal_size_max          0.440
_exptl_crystal_size_mid          0.305
_exptl_crystal_size_min          0.278
_exptl_absorpt_coefficient_mu    0.883
_shelx_estimated_absorpt_T_min   0.697
_shelx_estimated_absorpt_T_max   0.791
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/2 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.73
_exptl_absorpt_correction_T_max  0.79

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.3333
_diffrn_reflns_number            46248
_diffrn_reflns_av_unetI/netI     0.0133
_diffrn_reflns_av_R_equivalents  0.0196
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.617
_diffrn_reflns_theta_max         28.699
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             8196
_reflns_number_gt                7640
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX2 (Bruker, 2014)'
_computing_cell_refinement       'SAINT (Bruker, 2013)'
_computing_data_reduction        'SAINT (Bruker, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0231P)²+1.8800P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8196
_refine_ls_number_parameters     383
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0233
_refine_ls_R_factor_gt           0.0210
_refine_ls_wR_factor_ref         0.0537
_refine_ls_wR_factor_gt          0.0522
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_restrained_S_all      1.075
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.22442(2) 0.74388(2) 0.16851(2) 0.01400(3) Uani 1 1 d . . . . .
Cl1 Cl 0.04753(3) 0.62382(2) 0.16651(2) 0.02037(6) Uani 1 1 d . . . . .
S1 S 0.36791(4) 0.87057(2) 0.29248(2) 0.02302(7) Uani 1 1 d . . . . .
S2 S 0.32412(4) 0.84274(2) 0.04426(2) 0.02205(7) Uani 1 1 d . . . . .
P1 P 0.26434(4) 0.75042(2) 0.26991(2) 0.01620(7) Uani 1 1 d . . . . .
P2 P 0.16148(4) 0.76226(2) 0.06798(2) 0.01641(7) Uani 1 1 d . . . . .
N1 N 0.40473(12) 0.64917(8) 0.16632(5) 0.0187(2) Uani 1 1 d . . . . .
C1 C 0.41534(14) 0.89583(8) 0.22199(6) 0.0186(2) Uani 1 1 d . . . . .
C2 C 0.51033(15) 0.96705(9) 0.22336(7) 0.0239(3) Uani 1 1 d . . . . .
H2 H 0.5507 0.9939 0.2604 0.029 Uiso 1 1 calc R U . . .
C3 C 0.54550(16) 0.99840(10) 0.17058(7) 0.0278(3) Uani 1 1 d . . . . .
H3 H 0.6106 1.0465 0.1711 0.033 Uiso 1 1 calc R U . . .
C4 C 0.48492(16) 0.95891(10) 0.11709(7) 0.0244(3) Uani 1 1 d . . . . .
H4 H 0.5062 0.9809 0.0805 0.029 Uiso 1 1 calc R U . . .
C5 C 0.39247(14) 0.88669(9) 0.11666(6) 0.0187(2) Uani 1 1 d . . . . .
C6 C 0.35503(13) 0.85049(8) 0.16905(6) 0.0170(2) Uani 1 1 d . . . . .
C7 C 0.38252(14) 0.66667(9) 0.31005(6) 0.0182(2) Uani 1 1 d . . . . .
C8 C 0.33435(17) 0.58038(10) 0.30308(8) 0.0311(3) Uani 1 1 d . . . . .
H8 H 0.2395 0.5679 0.2811 0.037 Uiso 1 1 calc R U . . .
C9 C 0.42411(18) 0.51235(10) 0.32809(8) 0.0350(4) Uani 1 1 d . . . . .
H9 H 0.3903 0.4535 0.3234 0.042 Uiso 1 1 calc R U . . .
C10 C 0.56284(17) 0.52977(10) 0.35990(7) 0.0282(3) Uani 1 1 d . . . . .
H10 H 0.6243 0.4831 0.3769 0.034 Uiso 1 1 calc R U . . .
C11 C 0.61115(16) 0.61523(10) 0.36683(7) 0.0275(3) Uani 1 1 d . . . . .
H11 H 0.7063 0.6273 0.3886 0.033 Uiso 1 1 calc R U . . .
C12 C 0.52156(15) 0.68392(10) 0.34218(6) 0.0235(3) Uani 1 1 d . . . . .
H12 H 0.5555 0.7427 0.3473 0.028 Uiso 1 1 calc R U . . .
C13 C 0.11011(15) 0.75695(9) 0.30885(6) 0.0199(3) Uani 1 1 d . . . . .
C14 C -0.03002(16) 0.77499(10) 0.27713(7) 0.0252(3) Uani 1 1 d . . . . .
H14 H -0.0467 0.7786 0.2347 0.030 Uiso 1 1 calc R U . . .
C15 C -0.14493(16) 0.78759(11) 0.30756(7) 0.0293(3) Uani 1 1 d . . . . .
H15 H -0.2403 0.7993 0.2858 0.035 Uiso 1 1 calc R U . . .
C16 C -0.12156(17) 0.78327(10) 0.36946(7) 0.0285(3) Uani 1 1 d . . . . .
H16 H -0.2001 0.7935 0.3901 0.034 Uiso 1 1 calc R U . . .
C17 C 0.01635(19) 0.76409(11) 0.40111(7) 0.0322(3) Uani 1 1 d . . . . .
H17 H 0.0322 0.7604 0.4435 0.039 Uiso 1 1 calc R U . . .
C18 C 0.13199(18) 0.75013(10) 0.37099(7) 0.0279(3) Uani 1 1 d . . . . .
H18 H 0.2261 0.7359 0.3929 0.033 Uiso 1 1 calc R U . . .
C19 C 0.16027(15) 0.67105(9) 0.01629(6) 0.0204(3) Uani 1 1 d . . . . .
C20 C 0.03094(17) 0.64094(10) -0.01863(7) 0.0265(3) Uani 1 1 d . . . . .
H20 H -0.0584 0.6708 -0.0178 0.032 Uiso 1 1 calc R U . . .
C21 C 0.03223(19) 0.56730(11) -0.05464(7) 0.0320(3) Uani 1 1 d . . . . .
H21 H -0.0565 0.5471 -0.0783 0.038 Uiso 1 1 calc R U . . .
C22 C 0.1604(2) 0.52351(11) -0.05634(7) 0.0345(4) Uani 1 1 d . . . . .
H22 H 0.1604 0.4729 -0.0807 0.041 Uiso 1 1 calc R U . . .
C23 C 0.2897(2) 0.55364(12) -0.02230(8) 0.0372(4) Uani 1 1 d . . . . .
H23 H 0.3788 0.5240 -0.0239 0.045 Uiso 1 1 calc R U . . .
C24 C 0.29030(17) 0.62674(11) 0.01406(7) 0.0299(3) Uani 1 1 d . . . . .
H24 H 0.3795 0.6466 0.0375 0.036 Uiso 1 1 calc R U . . .
C25 C -0.01469(14) 0.81533(9) 0.04312(6) 0.0194(2) Uani 1 1 d . . . . .
C26 C -0.03573(16) 0.87928(10) -0.00136(6) 0.0237(3) Uani 1 1 d . . . . .
H26 H 0.0441 0.8985 -0.0188 0.028 Uiso 1 1 calc R U . . .
C27 C -0.17458(17) 0.91505(10) -0.02014(7) 0.0283(3) Uani 1 1 d . . . . .
H27 H -0.1894 0.9586 -0.0505 0.034 Uiso 1 1 calc R U . . .
C28 C -0.29039(17) 0.88722(11) 0.00540(7) 0.0288(3) Uani 1 1 d . . . . .
H28 H -0.3848 0.9117 -0.0076 0.035 Uiso 1 1 calc R U . . .
C29 C -0.26997(16) 0.82380(11) 0.04982(7) 0.0296(3) Uani 1 1 d . . . . .
H29 H -0.3503 0.8048 0.0671 0.036 Uiso 1 1 calc R U . . .
C30 C -0.13199(15) 0.78800(10) 0.06913(7) 0.0255(3) Uani 1 1 d . . . . .
H30 H -0.1176 0.7451 0.0999 0.031 Uiso 1 1 calc R U . . .
C31 C 0.54495(15) 0.67478(10) 0.17695(7) 0.0275(3) Uani 1 1 d . . . . .
H31 H 0.5660 0.7354 0.1830 0.033 Uiso 1 1 calc R U . . .
C32 C 0.66034(17) 0.61682(12) 0.17948(9) 0.0370(4) Uani 1 1 d . . . . .
H32 H 0.7584 0.6375 0.1872 0.044 Uiso 1 1 calc R U . . .
C33 C 0.63116(17) 0.52885(11) 0.17072(8) 0.0328(3) Uani 1 1 d . . . . .
H33 H 0.7085 0.4877 0.1725 0.039 Uiso 1 1 calc R U . . .
C34 C 0.48768(18) 0.50173(11) 0.15927(9) 0.0350(4) Uani 1 1 d . . . . .
H34 H 0.4641 0.4415 0.1527 0.042 Uiso 1 1 calc R U . . .
C35 C 0.37844(16) 0.56361(10) 0.15755(8) 0.0305(3) Uani 1 1 d . . . . .
H35 H 0.2797 0.5443 0.1497 0.037 Uiso 1 1 calc R U . . .
H1 H 0.107(2) 0.8082(13) 0.1723(8) 0.036(5) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 C6 2.0279(13) . ?
Rh1 N1 2.2202(11) . ?
Rh1 P1 2.2689(3) . ?
Rh1 P2 2.2705(3) . ?
Rh1 Cl1 2.4559(3) . ?
Rh1 H1 1.483(19) . ?
S1 C1 1.7793(14) . ?
S1 P1 2.0898(5) . ?
S2 C5 1.7833(14) . ?
S2 P2 2.0929(5) . ?
P1 C7 1.8182(13) . ?
P1 C13 1.8197(14) . ?
P2 C19 1.8192(14) . ?
P2 C25 1.8223(14) . ?
N1 C35 1.3356(19) . ?
N1 C31 1.3402(18) . ?
C1 C2 1.3967(18) . ?
C1 C6 1.4123(18) . ?
C2 C3 1.385(2) . ?
C2 H2 0.9500 . ?
C3 C4 1.381(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.3959(19) . ?
C4 H4 0.9500 . ?
C5 C6 1.4122(18) . ?
C7 C12 1.3894(18) . ?
C7 C8 1.390(2) . ?
C8 C9 1.387(2) . ?
C8 H8 0.9500 . ?
C9 C10 1.385(2) . ?
C9 H9 0.9500 . ?
C10 C11 1.378(2) . ?
C10 H10 0.9500 . ?
C11 C12 1.391(2) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.394(2) . ?
C13 C14 1.397(2) . ?
C14 C15 1.388(2) . ?
C14 H14 0.9500 . ?
C15 C16 1.386(2) . ?
C15 H15 0.9500 . ?
C16 C17 1.383(2) . ?
C16 H16 0.9500 . ?
C17 C18 1.392(2) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.3927(19) . ?
C19 C24 1.394(2) . ?
C20 C21 1.391(2) . ?
C20 H20 0.9500 . ?
C21 C22 1.373(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.384(2) . ?
C22 H22 0.9500 . ?
C23 C24 1.387(2) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.3927(19) . ?
C25 C30 1.3953(19) . ?
C26 C27 1.395(2) . ?
C26 H26 0.9500 . ?
C27 C28 1.380(2) . ?
C27 H27 0.9500 . ?
C28 C29 1.386(2) . ?
C28 H28 0.9500 . ?
C29 C30 1.390(2) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.383(2) . ?
C31 H31 0.9500 . ?
C32 C33 1.376(2) . ?
C32 H32 0.9500 . ?
C33 C34 1.376(2) . ?
C33 H33 0.9500 . ?
C34 C35 1.382(2) . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?

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
C6 Rh1 N1 93.88(5) . . ?
C6 Rh1 P1 88.36(4) . . ?
N1 Rh1 P1 93.82(3) . . ?
C6 Rh1 P2 87.23(4) . . ?
N1 Rh1 P2 96.62(3) . . ?
P1 Rh1 P2 168.919(13) . . ?
C6 Rh1 Cl1 174.87(4) . . ?
N1 Rh1 Cl1 91.19(3) . . ?
P1 Rh1 Cl1 92.112(12) . . ?
P2 Rh1 Cl1 91.388(12) . . ?
C6 Rh1 H1 85.2(8) . . ?
N1 Rh1 H1 177.8(7) . . ?
P1 Rh1 H1 84.1(7) . . ?
P2 Rh1 H1 85.4(7) . . ?
Cl1 Rh1 H1 89.8(8) . . ?
C1 S1 P1 98.48(5) . . ?
C5 S2 P2 97.80(5) . . ?
C7 P1 C13 104.61(6) . . ?
C7 P1 S1 106.45(5) . . ?
C13 P1 S1 101.62(5) . . ?
C7 P1 Rh1 116.81(4) . . ?
C13 P1 Rh1 119.91(5) . . ?
S1 P1 Rh1 105.710(17) . . ?
C19 P2 C25 103.87(6) . . ?
C19 P2 S2 101.65(5) . . ?
C25 P2 S2 108.10(5) . . ?
C19 P2 Rh1 121.71(5) . . ?
C25 P2 Rh1 114.79(5) . . ?
S2 P2 Rh1 105.396(17) . . ?
C35 N1 C31 117.20(12) . . ?
C35 N1 Rh1 121.35(9) . . ?
C31 N1 Rh1 121.36(10) . . ?
C2 C1 C6 123.44(13) . . ?
C2 C1 S1 114.05(10) . . ?
C6 C1 S1 122.42(10) . . ?
C3 C2 C1 119.81(13) . . ?
C3 C2 H2 120.1 . . ?
C1 C2 H2 120.1 . . ?
C4 C3 C2 119.29(13) . . ?
C4 C3 H3 120.4 . . ?
C2 C3 H3 120.4 . . ?
C3 C4 C5 120.13(13) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
C4 C5 C6 123.26(13) . . ?
C4 C5 S2 114.74(10) . . ?
C6 C5 S2 122.00(10) . . ?
C5 C6 C1 113.98(12) . . ?
C5 C6 Rh1 123.19(10) . . ?
C1 C6 Rh1 122.83(10) . . ?
C12 C7 C8 119.28(13) . . ?
C12 C7 P1 123.39(10) . . ?
C8 C7 P1 117.06(10) . . ?
C9 C8 C7 120.27(14) . . ?
C9 C8 H8 119.9 . . ?
C7 C8 H8 119.9 . . ?
C10 C9 C8 120.30(15) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C11 C10 C9 119.63(14) . . ?
C11 C10 H10 120.2 . . ?
C9 C10 H10 120.2 . . ?
C10 C11 C12 120.47(14) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 H11 119.8 . . ?
C7 C12 C11 120.06(13) . . ?
C7 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C18 C13 C14 119.22(13) . . ?
C18 C13 P1 120.40(11) . . ?
C14 C13 P1 120.23(11) . . ?
C15 C14 C13 120.04(14) . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C16 C15 C14 120.44(14) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C17 C16 C15 119.84(14) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C16 C17 C18 120.18(15) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C17 C18 C13 120.23(15) . . ?
C17 C18 H18 119.9 . . ?
C13 C18 H18 119.9 . . ?
C20 C19 C24 118.97(13) . . ?
C20 C19 P2 121.55(11) . . ?
C24 C19 P2 119.37(11) . . ?
C21 C20 C19 120.17(15) . . ?
C21 C20 H20 119.9 . . ?
C19 C20 H20 119.9 . . ?
C22 C21 C20 120.64(15) . . ?
C22 C21 H21 119.7 . . ?
C20 C21 H21 119.7 . . ?
C21 C22 C23 119.54(15) . . ?
C21 C22 H22 120.2 . . ?
C23 C22 H22 120.2 . . ?
C22 C23 C24 120.57(16) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 H23 119.7 . . ?
C23 C24 C19 120.11(15) . . ?
C23 C24 H24 119.9 . . ?
C19 C24 H24 119.9 . . ?
C26 C25 C30 119.95(13) . . ?
C26 C25 P2 122.39(11) . . ?
C30 C25 P2 117.64(10) . . ?
C25 C26 C27 119.73(14) . . ?
C25 C26 H26 120.1 . . ?
C27 C26 H26 120.1 . . ?
C28 C27 C26 120.05(14) . . ?
C28 C27 H27 120.0 . . ?
C26 C27 H27 120.0 . . ?
C27 C28 C29 120.47(14) . . ?
C27 C28 H28 119.8 . . ?
C29 C28 H28 119.8 . . ?
C28 C29 C30 120.02(14) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 H29 120.0 . . ?
C29 C30 C25 119.79(14) . . ?
C29 C30 H30 120.1 . . ?
C25 C30 H30 120.1 . . ?
N1 C31 C32 122.90(14) . . ?
N1 C31 H31 118.5 . . ?
C32 C31 H31 118.5 . . ?
C33 C32 C31 119.07(15) . . ?
C33 C32 H32 120.5 . . ?
C31 C32 H32 120.5 . . ?
C34 C33 C32 118.64(14) . . ?
C34 C33 H33 120.7 . . ?
C32 C33 H33 120.7 . . ?
C33 C34 C35 118.87(15) . . ?
C33 C34 H34 120.6 . . ?
C35 C34 H34 120.6 . . ?
N1 C35 C34 123.31(14) . . ?
N1 C35 H35 118.3 . . ?
C34 C35 H35 118.3 . . ?

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
P1 S1 C1 C2 -169.62(10) . . . . ?
P1 S1 C1 C6 13.75(11) . . . . ?
C6 C1 C2 C3 2.3(2) . . . . ?
S1 C1 C2 C3 -174.28(12) . . . . ?
C1 C2 C3 C4 0.5(2) . . . . ?
C2 C3 C4 C5 -1.7(2) . . . . ?
C3 C4 C5 C6 0.4(2) . . . . ?
C3 C4 C5 S2 -179.61(12) . . . . ?
P2 S2 C5 C4 -167.04(10) . . . . ?
P2 S2 C5 C6 12.98(11) . . . . ?
C4 C5 C6 C1 2.15(19) . . . . ?
S2 C5 C6 C1 -177.88(9) . . . . ?
C4 C5 C6 Rh1 -178.56(10) . . . . ?
S2 C5 C6 Rh1 1.41(16) . . . . ?
C2 C1 C6 C5 -3.48(19) . . . . ?
S1 C1 C6 C5 172.83(9) . . . . ?
C2 C1 C6 Rh1 177.22(10) . . . . ?
S1 C1 C6 Rh1 -6.47(16) . . . . ?
C13 P1 C7 C12 -114.53(12) . . . . ?
S1 P1 C7 C12 -7.43(13) . . . . ?
Rh1 P1 C7 C12 110.31(11) . . . . ?
C13 P1 C7 C8 71.47(13) . . . . ?
S1 P1 C7 C8 178.57(11) . . . . ?
Rh1 P1 C7 C8 -63.68(13) . . . . ?
C12 C7 C8 C9 0.2(2) . . . . ?
P1 C7 C8 C9 174.41(14) . . . . ?
C7 C8 C9 C10 -0.4(3) . . . . ?
C8 C9 C10 C11 0.3(3) . . . . ?
C9 C10 C11 C12 0.1(2) . . . . ?
C8 C7 C12 C11 0.2(2) . . . . ?
P1 C7 C12 C11 -173.67(11) . . . . ?
C10 C11 C12 C7 -0.3(2) . . . . ?
C7 P1 C13 C18 38.63(13) . . . . ?
S1 P1 C13 C18 -72.00(12) . . . . ?
Rh1 P1 C13 C18 172.08(10) . . . . ?
C7 P1 C13 C14 -145.87(12) . . . . ?
S1 P1 C13 C14 103.50(11) . . . . ?
Rh1 P1 C13 C14 -12.42(13) . . . . ?
C18 C13 C14 C15 1.3(2) . . . . ?
P1 C13 C14 C15 -174.30(12) . . . . ?
C13 C14 C15 C16 0.6(2) . . . . ?
C14 C15 C16 C17 -1.6(2) . . . . ?
C15 C16 C17 C18 0.8(3) . . . . ?
C16 C17 C18 C13 1.1(2) . . . . ?
C14 C13 C18 C17 -2.1(2) . . . . ?
P1 C13 C18 C17 173.40(12) . . . . ?
C25 P2 C19 C20 -17.27(13) . . . . ?
S2 P2 C19 C20 -129.46(11) . . . . ?
Rh1 P2 C19 C20 114.05(11) . . . . ?
C25 P2 C19 C24 166.64(12) . . . . ?
S2 P2 C19 C24 54.45(12) . . . . ?
Rh1 P2 C19 C24 -62.04(13) . . . . ?
C24 C19 C20 C21 0.6(2) . . . . ?
P2 C19 C20 C21 -175.55(12) . . . . ?
C19 C20 C21 C22 -0.1(2) . . . . ?
C20 C21 C22 C23 -0.7(3) . . . . ?
C21 C22 C23 C24 0.9(3) . . . . ?
C22 C23 C24 C19 -0.5(3) . . . . ?
C20 C19 C24 C23 -0.3(2) . . . . ?
P2 C19 C24 C23 175.92(13) . . . . ?
C19 P2 C25 C26 -86.82(13) . . . . ?
S2 P2 C25 C26 20.60(13) . . . . ?
Rh1 P2 C25 C26 137.90(11) . . . . ?
C19 P2 C25 C30 91.37(12) . . . . ?
S2 P2 C25 C30 -161.20(10) . . . . ?
Rh1 P2 C25 C30 -43.90(12) . . . . ?
C30 C25 C26 C27 -0.7(2) . . . . ?
P2 C25 C26 C27 177.48(11) . . . . ?
C25 C26 C27 C28 0.1(2) . . . . ?
C26 C27 C28 C29 0.1(2) . . . . ?
C27 C28 C29 C30 0.3(2) . . . . ?
C28 C29 C30 C25 -0.8(2) . . . . ?
C26 C25 C30 C29 1.0(2) . . . . ?
P2 C25 C30 C29 -177.23(12) . . . . ?
C35 N1 C31 C32 -0.5(2) . . . . ?
Rh1 N1 C31 C32 176.03(14) . . . . ?
N1 C31 C32 C33 0.1(3) . . . . ?
C31 C32 C33 C34 0.5(3) . . . . ?
C32 C33 C34 C35 -0.6(3) . . . . ?
C31 N1 C35 C34 0.3(2) . . . . ?
Rh1 N1 C35 C34 -176.15(14) . . . . ?
C33 C34 C35 N1 0.2(3) . . . . ?

_refine_diff_density_max         0.388
_refine_diff_density_min         -0.385
_refine_diff_density_rms         0.059

_shelxl_version_number           2014-3


_chemical_properties_physical    Air-sensitive,Moisture-sensitive
