# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_RhClP2Anil2
_database_code_depnum_ccdc_archive 'CCDC 1896567'
loop_
_audit_author_name
_audit_author_address
'Peter Coburger'
;University of Leipzig 
Germany
;
_audit_update_record             
;
2019-02-11 deposited with the CCDC.	2019-03-04 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            'C22 H40 B10 Cl N2 P2 Rh S2'
_chemical_formula_weight         705.08

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'
B B 0.0013 0.0007 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -z'

_cell_length_a                   9.4717(2)
_cell_length_b                   10.4441(3)
_cell_length_c                   16.3936(4)
_cell_angle_alpha                88.649(2)
_cell_angle_beta                 75.070(2)
_cell_angle_gamma                89.069(2)
_cell_volume                     1566.44(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    130
_cell_measurement_reflns_used    7688
_cell_measurement_theta_min      2.5630
_cell_measurement_theta_max      28.0580

_exptl_crystal_description       prism
_exptl_crystal_colour            'clear orange'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.495
_exptl_crystal_F_000             720
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.2200
_exptl_crystal_size_mid          0.1000
_exptl_crystal_size_min          0.0300
_exptl_absorpt_coefficient_mu    0.885
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.99008
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
; 
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      130
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.3560
_diffrn_reflns_number            24286
_diffrn_reflns_av_unetI/netI     0.0591
_diffrn_reflns_av_R_equivalents  0.0492
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.225
_diffrn_reflns_theta_max         28.281
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.945
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.945
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.945
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             7337
_reflns_number_gt                5847
_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       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_structure_solution    SHELXS
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0279P)²+1.1115P] 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         7337
_refine_ls_number_parameters     375
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0615
_refine_ls_R_factor_gt           0.0415
_refine_ls_wR_factor_ref         0.0823
_refine_ls_wR_factor_gt          0.0763
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.001
_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
B1 B 0.7257(4) 0.7050(4) 0.1139(2) 0.0238(8) Uani 1 1 d . . . . .
H1 H 0.7041 0.6118 0.0898 0.029 Uiso 1 1 calc R U . . .
B2 B 0.6336(4) 0.8476(4) 0.0953(2) 0.0278(8) Uani 1 1 d . . . . .
H2 H 0.5523 0.8487 0.0579 0.033 Uiso 1 1 calc R U . . .
C3 C 0.4510(3) 0.7630(3) 0.4733(2) 0.0279(7) Uani 1 1 d . . . . .
H3 H 0.3794 0.7700 0.4438 0.033 Uiso 1 1 calc R U . . .
B3 B 0.6140(4) 0.9458(4) 0.1849(2) 0.0256(8) Uani 1 1 d . . . . .
H3A H 0.5194 1.0103 0.2065 0.031 Uiso 1 1 calc R U . . .
C4 C 0.8795(3) 0.8474(3) 0.20401(18) 0.0180(6) Uani 1 1 d . . . . .
B4 B 0.5960(4) 0.7788(4) 0.1985(2) 0.0249(8) Uani 1 1 d . . . . .
H4 H 0.4906 0.7343 0.2289 0.030 Uiso 1 1 calc R U . . .
C5 C 1.2989(3) 0.5771(3) 0.08761(19) 0.0235(7) Uani 1 1 d . . . . .
B5 B 0.6964(3) 0.8649(3) 0.2574(2) 0.0183(7) Uani 1 1 d . . . . .
H5 H 0.6583 0.8751 0.3262 0.022 Uiso 1 1 calc R U . . .
C7 C 0.6669(3) 0.6594(3) 0.49661(19) 0.0221(7) Uani 1 1 d . . . . .
B7 B 0.8240(4) 0.8268(4) 0.0466(2) 0.0242(8) Uani 1 1 d . . . . .
H7 H 0.8657 0.8136 -0.0218 0.029 Uiso 1 1 calc R U . . .
B6 B 0.7919(4) 0.9881(3) 0.1899(2) 0.0213(7) Uani 1 1 d . . . . .
H6 H 0.8133 1.0804 0.2151 0.026 Uiso 1 1 calc R U . . .
C10 C 0.7618(3) 0.7244(3) 0.20911(18) 0.0170(6) Uani 1 1 d . . . . .
B10 B 0.9044(4) 0.7474(3) 0.1197(2) 0.0199(7) Uani 1 1 d . . . . .
H10 H 0.9988 0.6821 0.1003 0.024 Uiso 1 1 calc R U . . .
B9 B 0.9212(4) 0.9152(3) 0.1053(2) 0.0211(7) Uani 1 1 d . . . . .
H9 H 1.0268 0.9598 0.0754 0.025 Uiso 1 1 calc R U . . .
B8 B 0.7545(4) 0.9774(3) 0.0908(2) 0.0229(8) Uani 1 1 d . . . . .
H8 H 0.7513 1.0630 0.0508 0.027 Uiso 1 1 calc R U . . .
C12 C 1.2575(3) 0.6285(3) 0.16898(19) 0.0202(6) Uani 1 1 d . . . . .
H12 H 1.282(4) 0.728(4) 0.020(2) 0.040(12) Uiso 1 1 d . . . . .
H11 H 1.345(5) 0.619(4) -0.029(3) 0.063(15) Uiso 1 1 d . . . . .
C13 C 0.9385(3) 0.4341(3) 0.1616(2) 0.0274(7) Uani 1 1 d . . . . .
H13A H 0.9645 0.3469 0.1466 0.041 Uiso 1 1 calc R U . . .
H13B H 1.0207 0.4761 0.1729 0.041 Uiso 1 1 calc R U . . .
H13C H 0.9108 0.4778 0.1158 0.041 Uiso 1 1 calc R U . . .
C14 C 0.5613(3) 0.6720(3) 0.45158(19) 0.0230(7) Uani 1 1 d . . . . .
C16 C 1.0562(3) 0.9720(3) 0.31094(19) 0.0217(6) Uani 1 1 d . . . . .
C17 C 0.8482(4) 0.3500(3) 0.3088(2) 0.0286(7) Uani 1 1 d . . . . .
H17A H 0.8667 0.2644 0.2883 0.043 Uiso 1 1 calc R U . . .
H17B H 0.7680 0.3496 0.3585 0.043 Uiso 1 1 calc R U . . .
H17C H 0.9338 0.3818 0.3223 0.043 Uiso 1 1 calc R U . . .
C18 C 1.3410(3) 0.4476(3) 0.0809(2) 0.0268(7) Uani 1 1 d . . . . .
H18 H 1.3707 0.4117 0.0278 0.032 Uiso 1 1 calc R U . . .
C20 C 1.2594(3) 0.5522(3) 0.2394(2) 0.0235(7) Uani 1 1 d . . . . .
H20 H 1.2348 0.5876 0.2929 0.028 Uiso 1 1 calc R U . . .
C21 C 0.8100(3) 0.4364(3) 0.24069(19) 0.0213(6) Uani 1 1 d . . . . .
C23 C 0.6636(4) 0.7425(3) 0.5617(2) 0.0312(8) Uani 1 1 d . . . . .
H23 H 0.7352 0.7367 0.5912 0.037 Uiso 1 1 calc R U . . .
C26 C 1.1118(3) 1.0723(3) 0.2402(2) 0.0267(7) Uani 1 1 d . . . . .
H26A H 1.2042 1.0446 0.2050 0.040 Uiso 1 1 calc R U . . .
H26B H 1.1235 1.1529 0.2646 0.040 Uiso 1 1 calc R U . . .
H26C H 1.0426 1.0822 0.2067 0.040 Uiso 1 1 calc R U . . .
C27 C 1.2980(3) 0.4234(3) 0.2303(2) 0.0278(7) Uani 1 1 d . . . . .
H27 H 1.2960 0.3716 0.2774 0.033 Uiso 1 1 calc R U . . .
C30 C 1.3391(3) 0.3735(3) 0.1505(2) 0.0296(8) Uani 1 1 d . . . . .
H30 H 1.3660 0.2876 0.1441 0.035 Uiso 1 1 calc R U . . .
C31 C 1.1782(3) 0.9521(3) 0.3561(2) 0.0308(8) Uani 1 1 d . . . . .
H31A H 1.2635 0.9178 0.3174 0.046 Uiso 1 1 calc R U . . .
H31B H 1.1461 0.8934 0.4030 0.046 Uiso 1 1 calc R U . . .
H31C H 1.2013 1.0327 0.3762 0.046 Uiso 1 1 calc R U . . .
C33 C 0.9184(3) 1.0172(3) 0.3756(2) 0.0253(7) Uani 1 1 d . . . . .
H33A H 0.8422 1.0344 0.3478 0.038 Uiso 1 1 calc R U . . .
H33B H 0.9391 1.0939 0.4013 0.038 Uiso 1 1 calc R U . . .
H33C H 0.8873 0.9517 0.4183 0.038 Uiso 1 1 calc R U . . .
C34 C 0.4485(4) 0.8434(3) 0.5392(2) 0.0364(9) Uani 1 1 d . . . . .
H34 H 0.3745 0.9046 0.5542 0.044 Uiso 1 1 calc R U . . .
C35 C 0.6725(3) 0.3859(3) 0.2197(2) 0.0285(7) Uani 1 1 d . . . . .
H35A H 0.6367 0.4488 0.1861 0.043 Uiso 1 1 calc R U . . .
H35B H 0.5988 0.3693 0.2711 0.043 Uiso 1 1 calc R U . . .
H35C H 0.6960 0.3082 0.1887 0.043 Uiso 1 1 calc R U . . .
C37 C 0.5539(4) 0.8340(4) 0.5829(2) 0.0361(9) Uani 1 1 d . . . . .
H37 H 0.5517 0.8894 0.6268 0.043 Uiso 1 1 calc R U . . .
N1 N 0.7821(3) 0.5672(3) 0.47206(16) 0.0257(6) Uani 1 1 d . . . . .
H1A H 0.7494 0.4938 0.4577 0.031 Uiso 1 1 calc R U . . .
H1B H 0.8266 0.5520 0.5130 0.031 Uiso 1 1 calc R U . . .
N2 N 1.2953(4) 0.6484(4) 0.0169(2) 0.0348(7) Uani 1 1 d . . . . .
P1 P 1.01685(8) 0.81162(7) 0.27042(5) 0.01683(16) Uani 1 1 d . . . . .
P5 P 0.78269(8) 0.59962(7) 0.28964(5) 0.01700(16) Uani 1 1 d . . . . .
S1 S 0.56535(8) 0.56972(8) 0.36616(5) 0.02257(17) Uani 1 1 d . . . . .
S2 S 1.21920(8) 0.79484(7) 0.17784(5) 0.02228(17) Uani 1 1 d . . . . .
Cl1 Cl 1.07185(9) 0.68089(8) 0.46271(5) 0.03001(19) Uani 1 1 d . . . . .
Rh1 Rh 0.92478(2) 0.66210(2) 0.36464(2) 0.01793(7) Uani 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
B1 C10 1.699(4) . ?
B1 B7 1.774(5) . ?
B1 B2 1.774(5) . ?
B1 B4 1.780(5) . ?
B1 B10 1.783(5) . ?
B2 B4 1.774(5) . ?
B2 B8 1.777(5) . ?
B2 B3 1.781(5) . ?
B2 B7 1.786(5) . ?
C3 C34 1.379(5) . ?
C3 C14 1.384(4) . ?
B3 B4 1.758(5) . ?
B3 B6 1.771(5) . ?
B3 B5 1.773(5) . ?
B3 B8 1.787(5) . ?
C4 C10 1.701(4) . ?
C4 B9 1.703(4) . ?
C4 B6 1.716(4) . ?
C4 B10 1.718(4) . ?
C4 B5 1.738(4) . ?
C4 P1 1.927(3) . ?
B4 C10 1.711(4) . ?
B4 B5 1.785(5) . ?
C5 N2 1.370(4) . ?
C5 C18 1.402(4) . ?
C5 C12 1.406(4) . ?
B5 C10 1.713(4) . ?
B5 B6 1.775(5) . ?
C7 C23 1.385(4) . ?
C7 C14 1.391(4) . ?
C7 N1 1.427(4) . ?
B7 B10 1.763(5) . ?
B7 B9 1.775(5) . ?
B7 B8 1.791(5) . ?
B6 B8 1.757(5) . ?
B6 B9 1.774(5) . ?
C10 B10 1.733(4) . ?
C10 P5 1.878(3) . ?
B10 B9 1.767(5) . ?
B9 B8 1.768(5) . ?
C12 C20 1.391(4) . ?
C12 S2 1.771(3) . ?
C13 C21 1.533(4) . ?
C14 S1 1.773(3) . ?
C16 C33 1.530(4) . ?
C16 C31 1.534(4) . ?
C16 C26 1.539(4) . ?
C16 P1 1.894(3) . ?
C17 C21 1.530(4) . ?
C18 C30 1.359(5) . ?
C20 C27 1.389(4) . ?
C21 C35 1.534(4) . ?
C21 P5 1.887(3) . ?
C23 C37 1.382(5) . ?
C27 C30 1.378(5) . ?
C34 C37 1.372(5) . ?
N1 Rh1 2.155(2) . ?
P1 S2 2.1237(10) . ?
P1 Rh1 2.1957(8) . ?
P5 S1 2.1402(10) . ?
P5 Rh1 2.1604(7) . ?
Cl1 Rh1 2.3962(8) . ?

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
C10 B1 B7 105.7(2) . . ?
C10 B1 B2 105.2(2) . . ?
B7 B1 B2 60.4(2) . . ?
C10 B1 B4 58.85(18) . . ?
B7 B1 B4 108.5(3) . . ?
B2 B1 B4 59.9(2) . . ?
C10 B1 B10 59.64(17) . . ?
B7 B1 B10 59.41(19) . . ?
B2 B1 B10 107.8(3) . . ?
B4 B1 B10 108.4(2) . . ?
B1 B2 B4 60.2(2) . . ?
B1 B2 B8 107.9(2) . . ?
B4 B2 B8 107.9(3) . . ?
B1 B2 B3 107.5(2) . . ?
B4 B2 B3 59.3(2) . . ?
B8 B2 B3 60.3(2) . . ?
B1 B2 B7 59.8(2) . . ?
B4 B2 B7 108.2(2) . . ?
B8 B2 B7 60.3(2) . . ?
B3 B2 B7 108.4(2) . . ?
C34 C3 C14 119.2(3) . . ?
B4 B3 B6 108.7(2) . . ?
B4 B3 B5 60.72(19) . . ?
B6 B3 B5 60.13(19) . . ?
B4 B3 B2 60.2(2) . . ?
B6 B3 B2 107.3(3) . . ?
B5 B3 B2 108.2(3) . . ?
B4 B3 B8 108.1(3) . . ?
B6 B3 B8 59.16(19) . . ?
B5 B3 B8 107.5(2) . . ?
B2 B3 B8 59.7(2) . . ?
C10 C4 B9 109.8(2) . . ?
C10 C4 B6 108.6(2) . . ?
B9 C4 B6 62.51(19) . . ?
C10 C4 B10 60.94(17) . . ?
B9 C4 B10 62.20(19) . . ?
B6 C4 B10 113.0(2) . . ?
C10 C4 B5 59.74(17) . . ?
B9 C4 B5 113.3(2) . . ?
B6 C4 B5 61.85(18) . . ?
B10 C4 B5 112.3(2) . . ?
C10 C4 P1 111.82(18) . . ?
B9 C4 P1 125.36(19) . . ?
B6 C4 P1 129.8(2) . . ?
B10 C4 P1 112.07(19) . . ?
B5 C4 P1 117.65(19) . . ?
C10 B4 B3 105.3(2) . . ?
C10 B4 B2 104.7(2) . . ?
B3 B4 B2 60.5(2) . . ?
C10 B4 B1 58.23(18) . . ?
B3 B4 B1 108.2(3) . . ?
B2 B4 B1 59.9(2) . . ?
C10 B4 B5 58.64(17) . . ?
B3 B4 B5 60.0(2) . . ?
B2 B4 B5 108.0(3) . . ?
B1 B4 B5 107.2(2) . . ?
N2 C5 C18 120.4(3) . . ?
N2 C5 C12 122.1(3) . . ?
C18 C5 C12 117.5(3) . . ?
C10 B5 C4 59.05(17) . . ?
C10 B5 B3 104.5(2) . . ?
C4 B5 B3 105.3(2) . . ?
C10 B5 B6 105.4(2) . . ?
C4 B5 B6 58.46(18) . . ?
B3 B5 B6 59.91(19) . . ?
C10 B5 B4 58.52(18) . . ?
C4 B5 B4 106.1(2) . . ?
B3 B5 B4 59.2(2) . . ?
B6 B5 B4 107.3(2) . . ?
C23 C7 C14 119.1(3) . . ?
C23 C7 N1 120.8(3) . . ?
C14 C7 N1 119.9(3) . . ?
B10 B7 B1 60.57(19) . . ?
B10 B7 B9 59.92(19) . . ?
B1 B7 B9 108.1(2) . . ?
B10 B7 B2 108.2(2) . . ?
B1 B7 B2 59.8(2) . . ?
B9 B7 B2 107.5(3) . . ?
B10 B7 B8 107.4(2) . . ?
B1 B7 B8 107.3(2) . . ?
B9 B7 B8 59.44(19) . . ?
B2 B7 B8 59.6(2) . . ?
C4 B6 B8 105.6(2) . . ?
C4 B6 B3 106.2(2) . . ?
B8 B6 B3 60.9(2) . . ?
C4 B6 B9 58.39(18) . . ?
B8 B6 B9 60.1(2) . . ?
B3 B6 B9 108.7(3) . . ?
C4 B6 B5 59.68(18) . . ?
B8 B6 B5 108.7(2) . . ?
B3 B6 B5 59.96(19) . . ?
B9 B6 B5 108.1(2) . . ?
B1 C10 C4 110.5(2) . . ?
B1 C10 B4 62.9(2) . . ?
C4 C10 B4 111.2(2) . . ?
B1 C10 B5 114.4(2) . . ?
C4 C10 B5 61.22(17) . . ?
B4 C10 B5 62.84(19) . . ?
B1 C10 B10 62.59(19) . . ?
C4 C10 B10 60.01(17) . . ?
B4 C10 B10 114.1(2) . . ?
B5 C10 B10 112.8(2) . . ?
B1 C10 P5 129.1(2) . . ?
C4 C10 P5 111.42(17) . . ?
B4 C10 P5 123.4(2) . . ?
B5 C10 P5 110.41(19) . . ?
B10 C10 P5 118.87(19) . . ?
C4 B10 C10 59.05(17) . . ?
C4 B10 B7 105.9(2) . . ?
C10 B10 B7 104.7(2) . . ?
C4 B10 B9 58.51(18) . . ?
C10 B10 B9 105.4(2) . . ?
B7 B10 B9 60.4(2) . . ?
C4 B10 B1 105.8(2) . . ?
C10 B10 B1 57.77(18) . . ?
B7 B10 B1 60.01(19) . . ?
B9 B10 B1 108.0(2) . . ?
C4 B9 B10 59.29(18) . . ?
C4 B9 B8 105.7(2) . . ?
B10 B9 B8 108.2(2) . . ?
C4 B9 B6 59.10(18) . . ?
B10 B9 B6 107.9(2) . . ?
B8 B9 B6 59.47(19) . . ?
C4 B9 B7 105.9(2) . . ?
B10 B9 B7 59.68(19) . . ?
B8 B9 B7 60.7(2) . . ?
B6 B9 B7 108.1(2) . . ?
B6 B8 B9 60.44(19) . . ?
B6 B8 B2 108.1(2) . . ?
B9 B8 B2 108.2(3) . . ?
B6 B8 B3 59.97(19) . . ?
B9 B8 B3 108.3(2) . . ?
B2 B8 B3 59.9(2) . . ?
B6 B8 B7 108.1(2) . . ?
B9 B8 B7 59.85(19) . . ?
B2 B8 B7 60.1(2) . . ?
B3 B8 B7 107.9(2) . . ?
C20 C12 C5 120.4(3) . . ?
C20 C12 S2 121.3(2) . . ?
C5 C12 S2 118.1(2) . . ?
C3 C14 C7 120.6(3) . . ?
C3 C14 S1 119.2(2) . . ?
C7 C14 S1 120.2(2) . . ?
C33 C16 C31 108.3(3) . . ?
C33 C16 C26 112.3(3) . . ?
C31 C16 C26 106.5(2) . . ?
C33 C16 P1 108.19(19) . . ?
C31 C16 P1 108.0(2) . . ?
C26 C16 P1 113.3(2) . . ?
C30 C18 C5 121.4(3) . . ?
C27 C20 C12 120.2(3) . . ?
C17 C21 C13 108.6(3) . . ?
C17 C21 C35 109.4(2) . . ?
C13 C21 C35 109.7(2) . . ?
C17 C21 P5 103.9(2) . . ?
C13 C21 P5 111.9(2) . . ?
C35 C21 P5 113.2(2) . . ?
C37 C23 C7 120.1(3) . . ?
C30 C27 C20 119.2(3) . . ?
C18 C30 C27 121.2(3) . . ?
C37 C34 C3 120.7(3) . . ?
C34 C37 C23 120.2(3) . . ?
C7 N1 Rh1 101.65(18) . . ?
C16 P1 C4 105.57(13) . . ?
C16 P1 S2 95.95(10) . . ?
C4 P1 S2 103.12(9) . . ?
C16 P1 Rh1 117.38(10) . . ?
C4 P1 Rh1 108.21(9) . . ?
S2 P1 Rh1 124.41(4) . . ?
C10 P5 C21 110.17(13) . . ?
C10 P5 S1 104.62(9) . . ?
C21 P5 S1 96.91(10) . . ?
C10 P5 Rh1 111.93(9) . . ?
C21 P5 Rh1 120.09(10) . . ?
S1 P5 Rh1 111.14(4) . . ?
C14 S1 P5 101.13(10) . . ?
C12 S2 P1 105.64(10) . . ?
N1 Rh1 P5 88.08(7) . . ?
N1 Rh1 P1 160.47(7) . . ?
P5 Rh1 P1 91.20(3) . . ?
N1 Rh1 Cl1 81.42(7) . . ?
P5 Rh1 Cl1 166.21(3) . . ?
P1 Rh1 Cl1 101.68(3) . . ?

_refine_diff_density_max         0.775
_refine_diff_density_min         -0.496
_refine_diff_density_rms         0.094

####################################################################### 
# 
# 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_try1
_database_code_depnum_ccdc_archive 'CCDC 1896568'
loop_
_audit_author_name
_audit_author_address
'Peter Coburger'
;University of Leipzig 
Germany
;
_audit_update_record             
;
2019-02-11 deposited with the CCDC.	2019-03-04 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            'C20 H36 B10 Cl N2 P2 Rh S2'
_chemical_formula_weight         677.03

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_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'

_cell_length_a                   9.5859(2)
_cell_length_b                   13.2274(2)
_cell_length_c                   11.9819(2)
_cell_angle_alpha                90
_cell_angle_beta                 103.849(2)
_cell_angle_gamma                90
_cell_volume                     1475.10(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    123
_cell_measurement_reflns_used    8659
_cell_measurement_theta_min      4.7590
_cell_measurement_theta_max      73.3530

_exptl_crystal_description       
; 
'Tue Dec 13 16:38:30 2016' 
;
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_F_000             688
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.3411
_exptl_crystal_size_mid          0.1917
_exptl_crystal_size_min          0.0965
_exptl_absorpt_coefficient_mu    7.975
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_correction_T_min  0.932
_exptl_absorpt_correction_T_max  0.970
_exptl_absorpt_process_details   
; 
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      123
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 5.1773
_diffrn_reflns_number            9062
_diffrn_reflns_av_unetI/netI     0.0184
_diffrn_reflns_av_R_equivalents  0.0159
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         4.751
_diffrn_reflns_theta_max         73.558
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.697
_diffrn_reflns_point_group_measured_fraction_full 0.716
_reflns_number_total             4139
_reflns_number_gt                4135
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.355
_reflns_Friedel_fraction_max     0.382
_reflns_Friedel_fraction_full    0.405

_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       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_structure_solution    SHELXS
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0258P)²+0.1673P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
; 
 Classical Flack method preferred over Parsons because s.u. lower. 
;
_refine_ls_abs_structure_Flack   0.000(4)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         4139
_refine_ls_number_parameters     349
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0150
_refine_ls_R_factor_gt           0.0150
_refine_ls_wR_factor_ref         0.0387
_refine_ls_wR_factor_gt          0.0387
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.001
_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
C1 C 0.6625(3) 0.8562(2) -0.2073(2) 0.0187(5) Uani 1 1 d . . . . .
H1 H 0.5665 0.8544 -0.2041 0.022 Uiso 1 1 calc R U . . .
C2 C 0.6935(3) 0.8654(2) -0.3135(2) 0.0235(5) Uani 1 1 d . . . . .
H2 H 0.6201 0.8707 -0.3799 0.028 Uiso 1 1 calc R U . . .
C3 C 0.8359(3) 1.0690(2) 0.0336(2) 0.0232(5) Uani 1 1 d . . . . .
H3A H 0.8383 1.1415 0.0358 0.035 Uiso 1 1 calc R U . . .
H3B H 0.7394 1.0461 0.0280 0.035 Uiso 1 1 calc R U . . .
H3C H 0.8679 1.0456 -0.0320 0.035 Uiso 1 1 calc R U . . .
C4 C 0.5237(3) 1.0481(2) 0.4124(2) 0.0230(5) Uani 1 1 d . . . . .
H4 H 0.5258 1.0819 0.4808 0.028 Uiso 1 1 calc R U . . .
C7 C 0.5053(3) 0.5930(2) 0.1365(2) 0.0235(6) Uani 1 1 d . . . . .
H7A H 0.4489 0.6294 0.1794 0.035 Uiso 1 1 calc R U . . .
H7B H 0.4741 0.5239 0.1280 0.035 Uiso 1 1 calc R U . . .
H7C H 0.4935 0.6232 0.0620 0.035 Uiso 1 1 calc R U . . .
C8 C 0.4674(3) 1.0487(2) 0.2079(2) 0.0219(5) Uani 1 1 d . . . . .
H8 H 0.4365 1.0819 0.1379 0.026 Uiso 1 1 calc R U . . .
C10 C 0.6641(2) 0.59703(19) 0.2007(2) 0.0157(5) Uani 1 1 d . . . . .
C13 C 0.9421(3) 0.8605(2) -0.2193(2) 0.0218(5) Uani 1 1 d . . . . .
H13 H 1.0384 0.8610 -0.2215 0.026 Uiso 1 1 calc R U . . .
C14 C 0.8359(3) 0.8664(2) -0.3193(2) 0.0247(6) Uani 1 1 d . . . . .
H14 H 0.8596 0.8710 -0.3900 0.030 Uiso 1 1 calc R U . . .
C18 C 0.5050(3) 0.9475(2) 0.2110(2) 0.0191(5) Uani 1 1 d . . . . .
H18 H 0.4959 0.9101 0.1439 0.023 Uiso 1 1 calc R U . . .
C19 C 0.9032(3) 0.85360(19) -0.1143(2) 0.0157(4) Uani 1 1 d . . . . .
C21 C 1.0178(2) 0.8227(2) 0.26207(17) 0.0127(4) Uani 1 1 d . . . . .
C23 C 0.8801(3) 1.0637(2) 0.2471(2) 0.0197(5) Uani 1 1 d . . . . .
H23A H 0.9491 1.0473 0.3170 0.029 Uiso 1 1 calc R U . . .
H23B H 0.7904 1.0312 0.2466 0.029 Uiso 1 1 calc R U . . .
H23C H 0.8663 1.1356 0.2420 0.029 Uiso 1 1 calc R U . . .
C28 C 0.5570(2) 0.9040(2) 0.3187(2) 0.0138(4) Uani 1 1 d . . . . .
C31 C 0.9352(2) 1.02672(18) 0.1440(2) 0.0154(5) Uani 1 1 d . . . . .
C33 C 1.0891(3) 1.0637(2) 0.1540(2) 0.0212(5) Uani 1 1 d . . . . .
H33A H 1.1523 1.0317 0.2187 0.032 Uiso 1 1 calc R U . . .
H33B H 1.0930 1.1357 0.1646 0.032 Uiso 1 1 calc R U . . .
H33C H 1.1185 1.0469 0.0851 0.032 Uiso 1 1 calc R U . . .
C37 C 0.6774(3) 0.5428(2) 0.3170(2) 0.0203(5) Uani 1 1 d . . . . .
H37A H 0.6069 0.5694 0.3541 0.031 Uiso 1 1 calc R U . . .
H37B H 0.7718 0.5537 0.3650 0.031 Uiso 1 1 calc R U . . .
H37C H 0.6617 0.4716 0.3040 0.031 Uiso 1 1 calc R U . . .
C38 C 0.9156(2) 0.73213(19) 0.30480(19) 0.0129(4) Uani 1 1 d . . . . .
C56 C 0.7506(3) 0.5428(2) 0.1259(2) 0.0207(5) Uani 1 1 d . . . . .
H56A H 0.7103 0.4770 0.1054 0.031 Uiso 1 1 calc R U . . .
H56B H 0.8487 0.5359 0.1683 0.031 Uiso 1 1 calc R U . . .
H56C H 0.7468 0.5815 0.0575 0.031 Uiso 1 1 calc R U . . .
C77 C 0.4764(3) 1.1002(2) 0.3099(3) 0.0246(5) Uani 1 1 d . . . . .
H77 H 0.4512 1.1681 0.3098 0.030 Uiso 1 1 calc R U . . .
B4 B 1.2539(3) 0.7714(3) 0.4354(2) 0.0199(5) Uani 1 1 d . . . . .
H4A H 1.3668 0.7839 0.4802 0.024 Uiso 1 1 calc R U . . .
B5 B 1.1927(3) 0.7856(2) 0.2837(2) 0.0164(5) Uani 1 1 d . . . . .
H5 H 1.2646 0.8081 0.2289 0.020 Uiso 1 1 calc R U . . .
B6 B 1.0485(3) 0.6979(2) 0.2355(2) 0.0140(5) Uani 1 1 d . . . . .
H6 H 1.0251 0.6641 0.1492 0.017 Uiso 1 1 calc R U . . .
B7 B 1.0236(3) 0.6300(2) 0.3571(2) 0.0157(5) Uani 1 1 d . . . . .
H7 H 0.9863 0.5511 0.3501 0.019 Uiso 1 1 calc R U . . .
B8 B 1.1995(3) 0.6632(2) 0.3459(2) 0.0176(5) Uani 1 1 d . . . . .
H8A H 1.2768 0.6060 0.3318 0.021 Uiso 1 1 calc R U . . .
B16 B 1.1496(3) 0.6755(2) 0.4800(2) 0.0188(5) Uani 1 1 d . . . . .
H16 H 1.1953 0.6262 0.5536 0.023 Uiso 1 1 calc R U . . .
B26 B 0.9593(3) 0.8398(2) 0.3863(2) 0.0141(5) Uani 1 1 d . . . . .
H26 H 0.8797 0.8968 0.3963 0.017 Uiso 1 1 calc R U . . .
B27 B 1.1098(3) 0.8060(3) 0.4992(2) 0.0184(5) Uani 1 1 d . . . . .
H27 H 1.1286 0.8414 0.5846 0.022 Uiso 1 1 calc R U . . .
B32 B 0.9679(3) 0.7171(2) 0.4505(2) 0.0156(5) Uani 1 1 d . . . . .
H32 H 0.8947 0.6946 0.5042 0.019 Uiso 1 1 calc R U . . .
B36 B 1.1383(3) 0.8731(2) 0.3780(2) 0.0167(5) Uani 1 1 d . . . . .
H36 H 1.1753 0.9521 0.3844 0.020 Uiso 1 1 calc R U . . .
P2 P 0.71969(6) 0.73428(4) 0.21478(5) 0.01092(11) Uani 1 1 d . . . . .
P3 P 0.91622(6) 0.88558(4) 0.12821(5) 0.01107(11) Uani 1 1 d . . . . .
N2 N 0.5668(2) 0.95139(18) 0.41793(19) 0.0191(4) Uani 1 1 d . . . . .
N12 N 0.7644(2) 0.84961(16) -0.10752(16) 0.0155(4) Uani 1 1 d . . . . .
S4 S 1.04589(6) 0.85282(5) 0.01061(5) 0.01666(11) Uani 1 1 d . . . . .
S6 S 0.60508(6) 0.77329(5) 0.33990(5) 0.01553(11) Uani 1 1 d . . . . .
Cl5 Cl 0.46716(6) 0.78687(5) -0.04310(5) 0.01987(12) Uani 1 1 d . . . . .
Rh1 Rh 0.71183(2) 0.81810(2) 0.05453(2) 0.01098(5) Uani 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
C1 N12 1.353(3) . ?
C1 C2 1.379(4) . ?
C2 C14 1.383(4) . ?
C3 C31 1.538(3) . ?
C4 N2 1.340(4) . ?
C4 C77 1.386(4) . ?
C7 C10 1.533(3) . ?
C8 C77 1.384(4) . ?
C8 C18 1.386(4) . ?
C10 C56 1.536(4) . ?
C10 C37 1.545(3) . ?
C10 P2 1.888(3) . ?
C13 C14 1.376(4) . ?
C13 C19 1.398(3) . ?
C18 C28 1.392(4) . ?
C19 N12 1.354(3) . ?
C19 S4 1.769(2) . ?
C21 C38 1.702(3) . ?
C21 B5 1.707(3) . ?
C21 B36 1.715(3) . ?
C21 B6 1.720(4) . ?
C21 B26 1.727(3) . ?
C21 P3 1.861(2) . ?
C23 C31 1.535(3) . ?
C28 N2 1.327(3) . ?
C28 S6 1.792(3) . ?
C31 C33 1.532(3) . ?
C31 P3 1.881(3) . ?
C38 B32 1.709(3) . ?
C38 B26 1.721(3) . ?
C38 B7 1.726(3) . ?
C38 B6 1.738(3) . ?
C38 P2 1.929(2) . ?
B4 B36 1.774(4) . ?
B4 B16 1.774(4) . ?
B4 B5 1.782(4) . ?
B4 B8 1.789(4) . ?
B4 B27 1.791(4) . ?
B5 B8 1.777(4) . ?
B5 B36 1.781(4) . ?
B5 B6 1.792(4) . ?
B6 B8 1.772(4) . ?
B6 B7 1.775(4) . ?
B7 B16 1.772(4) . ?
B7 B32 1.776(4) . ?
B7 B8 1.779(4) . ?
B8 B16 1.790(4) . ?
B16 B32 1.779(4) . ?
B16 B27 1.795(5) . ?
B26 B27 1.782(3) . ?
B26 B32 1.789(4) . ?
B26 B36 1.797(4) . ?
B27 B36 1.778(4) . ?
B27 B32 1.787(4) . ?
P2 S6 2.1235(8) . ?
P2 Rh1 2.2028(6) . ?
P3 S4 2.1347(8) . ?
P3 Rh1 2.1416(6) . ?
N12 Rh1 2.1601(19) . ?
Cl5 Rh1 2.3930(5) . ?

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
N12 C1 C2 123.5(2) . . ?
C1 C2 C14 118.7(2) . . ?
N2 C4 C77 123.3(3) . . ?
C77 C8 C18 119.4(3) . . ?
C7 C10 C56 107.5(2) . . ?
C7 C10 C37 107.1(2) . . ?
C56 C10 C37 111.7(2) . . ?
C7 C10 P2 107.66(17) . . ?
C56 C10 P2 108.75(17) . . ?
C37 C10 P2 113.90(17) . . ?
C14 C13 C19 119.1(3) . . ?
C13 C14 C2 119.3(2) . . ?
C8 C18 C28 117.2(2) . . ?
N12 C19 C13 122.3(2) . . ?
N12 C19 S4 121.41(17) . . ?
C13 C19 S4 116.3(2) . . ?
C38 C21 B5 111.6(2) . . ?
C38 C21 B36 110.77(17) . . ?
B5 C21 B36 62.75(15) . . ?
C38 C21 B6 61.05(15) . . ?
B5 C21 B6 63.05(16) . . ?
B36 C21 B6 114.28(18) . . ?
C38 C21 B26 60.23(14) . . ?
B5 C21 B26 114.64(16) . . ?
B36 C21 B26 62.96(14) . . ?
B6 C21 B26 112.94(18) . . ?
C38 C21 P3 110.71(13) . . ?
B5 C21 P3 123.47(15) . . ?
B36 C21 P3 129.52(19) . . ?
B6 C21 P3 110.30(14) . . ?
B26 C21 P3 118.29(15) . . ?
N2 C28 C18 124.7(2) . . ?
N2 C28 S6 111.61(18) . . ?
C18 C28 S6 123.5(2) . . ?
C33 C31 C23 110.2(2) . . ?
C33 C31 C3 109.8(2) . . ?
C23 C31 C3 108.4(2) . . ?
C33 C31 P3 113.15(17) . . ?
C23 C31 P3 110.68(17) . . ?
C3 C31 P3 104.43(17) . . ?
C21 C38 B32 109.86(17) . . ?
C21 C38 B26 60.59(14) . . ?
B32 C38 B26 62.86(15) . . ?
C21 C38 B7 108.78(17) . . ?
B32 C38 B7 62.24(15) . . ?
B26 C38 B7 113.46(18) . . ?
C21 C38 B6 59.98(14) . . ?
B32 C38 B6 112.83(17) . . ?
B26 C38 B6 112.33(17) . . ?
B7 C38 B6 61.65(15) . . ?
C21 C38 P2 112.01(14) . . ?
B32 C38 P2 125.55(15) . . ?
B26 C38 P2 112.18(15) . . ?
B7 C38 P2 129.31(17) . . ?
B6 C38 P2 117.60(15) . . ?
C8 C77 C4 118.4(3) . . ?
B36 B4 B16 108.3(2) . . ?
B36 B4 B5 60.13(15) . . ?
B16 B4 B5 108.1(2) . . ?
B36 B4 B8 108.00(19) . . ?
B16 B4 B8 60.29(17) . . ?
B5 B4 B8 59.70(16) . . ?
B36 B4 B27 59.83(17) . . ?
B16 B4 B27 60.43(17) . . ?
B5 B4 B27 108.04(18) . . ?
B8 B4 B27 108.4(2) . . ?
C21 B5 B8 105.15(19) . . ?
C21 B5 B36 58.85(14) . . ?
B8 B5 B36 108.20(19) . . ?
C21 B5 B4 104.85(18) . . ?
B8 B5 B4 60.37(17) . . ?
B36 B5 B4 59.72(16) . . ?
C21 B5 B6 58.84(15) . . ?
B8 B5 B6 59.53(15) . . ?
B36 B5 B6 107.71(18) . . ?
B4 B5 B6 107.46(19) . . ?
C21 B6 C38 58.97(13) . . ?
C21 B6 B8 104.83(19) . . ?
C38 B6 B8 105.81(18) . . ?
C21 B6 B7 105.76(18) . . ?
C38 B6 B7 58.83(14) . . ?
B8 B6 B7 60.19(15) . . ?
C21 B6 B5 58.11(14) . . ?
C38 B6 B5 105.97(19) . . ?
B8 B6 B5 59.84(15) . . ?
B7 B6 B5 107.98(19) . . ?
C38 B7 B16 105.4(2) . . ?
C38 B7 B6 59.52(14) . . ?
B16 B7 B6 108.12(19) . . ?
C38 B7 B32 58.41(14) . . ?
B16 B7 B32 60.22(16) . . ?
B6 B7 B32 107.98(19) . . ?
C38 B7 B8 106.05(19) . . ?
B16 B7 B8 60.55(16) . . ?
B6 B7 B8 59.81(15) . . ?
B32 B7 B8 108.7(2) . . ?
B6 B8 B5 60.64(15) . . ?
B6 B8 B7 60.00(15) . . ?
B5 B8 B7 108.46(18) . . ?
B6 B8 B4 108.0(2) . . ?
B5 B8 B4 59.93(16) . . ?
B7 B8 B4 107.33(19) . . ?
B6 B8 B16 107.46(19) . . ?
B5 B8 B16 107.6(2) . . ?
B7 B8 B16 59.53(15) . . ?
B4 B8 B16 59.44(16) . . ?
B7 B16 B4 108.30(19) . . ?
B7 B16 B32 60.00(15) . . ?
B4 B16 B32 108.3(2) . . ?
B7 B16 B8 59.92(15) . . ?
B4 B16 B8 60.26(17) . . ?
B32 B16 B8 108.02(18) . . ?
B7 B16 B27 108.05(19) . . ?
B4 B16 B27 60.24(17) . . ?
B32 B16 B27 59.99(15) . . ?
B8 B16 B27 108.3(2) . . ?
C38 B26 C21 59.18(14) . . ?
C38 B26 B27 105.46(19) . . ?
C21 B26 B27 104.53(17) . . ?
C38 B26 B32 58.25(14) . . ?
C21 B26 B32 105.15(18) . . ?
B27 B26 B32 60.05(16) . . ?
C38 B26 B36 106.12(18) . . ?
C21 B26 B36 58.19(14) . . ?
B27 B26 B36 59.58(14) . . ?
B32 B26 B36 107.47(18) . . ?
B36 B27 B26 60.64(15) . . ?
B36 B27 B32 108.40(17) . . ?
B26 B27 B32 60.17(14) . . ?
B36 B27 B4 59.60(16) . . ?
B26 B27 B4 107.88(18) . . ?
B32 B27 B4 107.3(2) . . ?
B36 B27 B16 107.24(19) . . ?
B26 B27 B16 107.58(19) . . ?
B32 B27 B16 59.59(17) . . ?
B4 B27 B16 59.32(17) . . ?
C38 B32 B7 59.34(14) . . ?
C38 B32 B16 105.81(18) . . ?
B7 B32 B16 59.78(16) . . ?
C38 B32 B27 105.75(18) . . ?
B7 B32 B27 108.24(19) . . ?
B16 B32 B27 60.43(16) . . ?
C38 B32 B26 58.89(14) . . ?
B7 B32 B26 107.90(18) . . ?
B16 B32 B26 107.94(19) . . ?
B27 B32 B26 59.78(15) . . ?
C21 B36 B4 104.8(2) . . ?
C21 B36 B27 105.20(19) . . ?
B4 B36 B27 60.57(16) . . ?
C21 B36 B5 58.40(14) . . ?
B4 B36 B5 60.15(16) . . ?
B27 B36 B5 108.6(2) . . ?
C21 B36 B26 58.85(13) . . ?
B4 B36 B26 108.0(2) . . ?
B27 B36 B26 59.78(14) . . ?
B5 B36 B26 107.72(18) . . ?
C10 P2 C38 104.59(11) . . ?
C10 P2 S6 96.57(8) . . ?
C38 P2 S6 101.99(7) . . ?
C10 P2 Rh1 117.12(8) . . ?
C38 P2 Rh1 108.69(7) . . ?
S6 P2 Rh1 125.28(3) . . ?
C21 P3 C31 109.81(12) . . ?
C21 P3 S4 102.18(7) . . ?
C31 P3 S4 102.13(8) . . ?
C21 P3 Rh1 114.03(8) . . ?
C31 P3 Rh1 120.80(8) . . ?
S4 P3 Rh1 105.26(3) . . ?
C28 N2 C4 116.8(2) . . ?
C1 N12 C19 117.2(2) . . ?
C1 N12 Rh1 122.16(17) . . ?
C19 N12 Rh1 120.36(15) . . ?
C19 S4 P3 95.90(8) . . ?
C28 S6 P2 107.07(8) . . ?
P3 Rh1 N12 84.43(6) . . ?
P3 Rh1 P2 90.77(2) . . ?
N12 Rh1 P2 156.06(6) . . ?
P3 Rh1 Cl5 165.09(2) . . ?
N12 Rh1 Cl5 90.34(6) . . ?
P2 Rh1 Cl5 99.45(2) . . ?

_refine_diff_density_max         0.289
_refine_diff_density_min         -0.350
_refine_diff_density_rms         0.052

