# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_shelxl
_database_code_depnum_ccdc_archive 'CCDC 1914203'
loop_
_audit_author_name
_audit_author_address
'Enno Lork'
;Bremen University
Germany
;
_audit_update_record             
;
2019-05-06 deposited with the CCDC.	2020-01-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C52 H48 P2 Si2'
_chemical_formula_weight         791.02

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'
Si Si 0.0817 0.0704 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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

_cell_length_a                   17.918(5)
_cell_length_b                   13.341(5)
_cell_length_c                   19.445(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 117.054(5)
_cell_angle_gamma                90.00
_cell_volume                     4140(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100
_cell_measurement_reflns_used    9125
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      30.03

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.269
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1672
_exptl_absorpt_coefficient_mu    0.200
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7200
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Venture D8 CMOS'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            415591
_diffrn_reflns_av_R_equivalents  0.1781
_diffrn_reflns_av_sigmaI/netI    0.0423
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.35
_diffrn_reflns_theta_max         30.09
_reflns_number_total             12159
_reflns_number_gt                9178
_reflns_threshold_expression     >2sigma(I)

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

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0560P)²+2.2822P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         12159
_refine_ls_number_parameters     509
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0680
_refine_ls_R_factor_gt           0.0444
_refine_ls_wR_factor_ref         0.1149
_refine_ls_wR_factor_gt          0.1058
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.037
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.55164(11) 0.14571(12) 0.20964(9) 0.0191(3) Uani 1 1 d . . .
H1A H 0.5900 0.1623 0.1888 0.023 Uiso 1 1 calc R . .
H1B H 0.4971 0.1739 0.1763 0.023 Uiso 1 1 calc R . .
C2 C 0.54562(13) 0.03022(13) 0.21676(10) 0.0239(4) Uani 1 1 d . . .
H2A H 0.4881 0.0076 0.1882 0.029 Uiso 1 1 calc R . .
H2B H 0.5798 -0.0044 0.1973 0.029 Uiso 1 1 calc R . .
C3 C 0.85079(12) 0.67564(14) 0.83397(11) 0.0259(4) Uani 1 1 d . . .
H3A H 0.8855 0.6675 0.8891 0.031 Uiso 1 1 calc R . .
H3B H 0.8030 0.7173 0.8256 0.031 Uiso 1 1 calc R . .
C4 C 0.90154(12) 0.72263(14) 0.79585(10) 0.0256(4) Uani 1 1 d . . .
H4A H 0.8795 0.7881 0.7746 0.031 Uiso 1 1 calc R . .
H4B H 0.9601 0.7297 0.8330 0.031 Uiso 1 1 calc R . .
C5 C 0.55874(10) 0.18352(12) 0.56254(9) 0.0168(3) Uani 1 1 d . . .
H5A H 0.5795 0.1683 0.6164 0.025 Uiso 1 1 calc R . .
H5B H 0.5469 0.1223 0.5335 0.025 Uiso 1 1 calc R . .
H5C H 0.5084 0.2225 0.5452 0.025 Uiso 1 1 calc R . .
C6 C 0.59692(11) 0.38947(12) 0.53215(9) 0.0183(3) Uani 1 1 d . . .
H6A H 0.5422 0.3903 0.4887 0.027 Uiso 1 1 calc R . .
H6B H 0.6334 0.4337 0.5224 0.027 Uiso 1 1 calc R . .
H6C H 0.5930 0.4114 0.5774 0.027 Uiso 1 1 calc R . .
C7 C 0.87021(10) 0.22495(12) 0.66050(9) 0.0175(3) Uani 1 1 d . . .
H7A H 0.8988 0.1775 0.7013 0.026 Uiso 1 1 calc R . .
H7B H 0.9054 0.2823 0.6680 0.026 Uiso 1 1 calc R . .
H7C H 0.8575 0.1943 0.6117 0.026 Uiso 1 1 calc R . .
C8 C 0.76179(11) 0.18334(13) 0.73701(9) 0.0206(3) Uani 1 1 d . . .
H8A H 0.7608 0.1142 0.7230 0.031 Uiso 1 1 calc R . .
H8B H 0.7112 0.1992 0.7402 0.031 Uiso 1 1 calc R . .
H8C H 0.8092 0.1950 0.7862 0.031 Uiso 1 1 calc R . .
C10 C 0.63605(9) 0.21546(11) 0.45210(8) 0.0127(3) Uani 1 1 d . . .
C11 C 0.62151(9) 0.29261(11) 0.39933(9) 0.0143(3) Uani 1 1 d . . .
H11 H 0.6280 0.3580 0.4178 0.017 Uiso 1 1 calc R . .
C12 C 0.59763(10) 0.27974(12) 0.31974(9) 0.0152(3) Uani 1 1 d . . .
H12 H 0.5916 0.3346 0.2881 0.018 Uiso 1 1 calc R . .
C13 C 0.58367(10) 0.18465(12) 0.29065(9) 0.0149(3) Uani 1 1 d . . .
C14 C 0.59912(9) 0.10363(11) 0.34219(9) 0.0136(3) Uani 1 1 d . . .
C15 C 0.57797(10) 0.01163(12) 0.30215(9) 0.0173(3) Uani 1 1 d . . .
C16 C 0.58850(11) -0.07491(12) 0.34329(9) 0.0197(3) Uani 1 1 d . . .
H16 H 0.5728 -0.1365 0.3184 0.024 Uiso 1 1 calc R . .
C17 C 0.62360(11) -0.06819(12) 0.42406(9) 0.0187(3) Uani 1 1 d . . .
H17 H 0.6327 -0.1274 0.4520 0.022 Uiso 1 1 calc R . .
C18 C 0.64555(10) 0.02118(11) 0.46477(9) 0.0141(3) Uani 1 1 d . . .
C19 C 0.62884(9) 0.11417(11) 0.42290(8) 0.0127(3) Uani 1 1 d . . .
C20 C 0.80975(10) -0.01165(11) 0.58636(9) 0.0154(3) Uani 1 1 d . . .
C21 C 0.83677(11) -0.00567(14) 0.52994(11) 0.0239(4) Uani 1 1 d . . .
H21 H 0.7986 0.0097 0.4794 0.029 Uiso 1 1 calc R . .
C22 C 0.91994(12) -0.02228(16) 0.54811(13) 0.0322(4) Uani 1 1 d . . .
H22 H 0.9372 -0.0184 0.5098 0.039 Uiso 1 1 calc R . .
C23 C 0.97765(11) -0.04471(15) 0.62349(13) 0.0319(4) Uani 1 1 d . . .
H23 H 1.0336 -0.0549 0.6357 0.038 Uiso 1 1 calc R . .
C24 C 0.95169(11) -0.05181(13) 0.68037(11) 0.0253(4) Uani 1 1 d . . .
H24 H 0.9900 -0.0681 0.7307 0.030 Uiso 1 1 calc R . .
C25 C 0.86860(10) -0.03450(12) 0.66207(10) 0.0204(3) Uani 1 1 d . . .
H25 H 0.8516 -0.0381 0.7006 0.025 Uiso 1 1 calc R . .
C30 C 0.67142(10) -0.09606(11) 0.59798(8) 0.0144(3) Uani 1 1 d . . .
C31 C 0.70803(10) -0.18936(12) 0.60009(9) 0.0178(3) Uani 1 1 d . . .
H31 H 0.7510 -0.1942 0.5859 0.021 Uiso 1 1 calc R . .
C32 C 0.68111(11) -0.27467(12) 0.62300(10) 0.0211(3) Uani 1 1 d . . .
H32 H 0.7060 -0.3362 0.6240 0.025 Uiso 1 1 calc R . .
C33 C 0.61757(11) -0.26886(13) 0.64430(10) 0.0227(3) Uani 1 1 d . . .
H33 H 0.5994 -0.3262 0.6594 0.027 Uiso 1 1 calc R . .
C34 C 0.58114(11) -0.17697(14) 0.64304(10) 0.0219(3) Uani 1 1 d . . .
H34 H 0.5383 -0.1727 0.6574 0.026 Uiso 1 1 calc R . .
C35 C 0.60786(10) -0.09134(13) 0.62053(9) 0.0181(3) Uani 1 1 d . . .
H35 H 0.5832 -0.0300 0.6204 0.022 Uiso 1 1 calc R . .
C40 C 0.78739(9) 0.39741(12) 0.70326(8) 0.0138(3) Uani 1 1 d . . .
C41 C 0.76501(10) 0.41145(13) 0.76239(9) 0.0177(3) Uani 1 1 d . . .
H41 H 0.7383 0.3585 0.7732 0.021 Uiso 1 1 calc R . .
C42 C 0.77949(10) 0.49928(13) 0.80737(9) 0.0196(3) Uani 1 1 d . . .
H42 H 0.7601 0.5048 0.8442 0.024 Uiso 1 1 calc R . .
C43 C 0.82253(10) 0.57535(12) 0.79521(9) 0.0176(3) Uani 1 1 d . . .
C44 C 0.84740(9) 0.56488(12) 0.73624(9) 0.0144(3) Uani 1 1 d . . .
C45 C 0.89169(10) 0.65006(12) 0.73252(9) 0.0176(3) Uani 1 1 d . . .
C46 C 0.91637(11) 0.65605(12) 0.67572(9) 0.0190(3) Uani 1 1 d . . .
H46 H 0.9474 0.7103 0.6729 0.023 Uiso 1 1 calc R . .
C47 C 0.89330(10) 0.57754(12) 0.62160(9) 0.0170(3) Uani 1 1 d . . .
H47 H 0.9076 0.5832 0.5814 0.020 Uiso 1 1 calc R . .
C48 C 0.85049(10) 0.49202(11) 0.62458(8) 0.0134(3) Uani 1 1 d . . .
C49 C 0.82791(9) 0.48113(11) 0.68640(8) 0.0125(3) Uani 1 1 d . . .
C50 C 0.89000(10) 0.35922(12) 0.52343(9) 0.0163(3) Uani 1 1 d . . .
C51 C 0.97105(11) 0.39710(12) 0.55272(10) 0.0197(3) Uani 1 1 d . . .
H51 H 0.9870 0.4508 0.5870 0.024 Uiso 1 1 calc R . .
C52 C 1.02829(11) 0.35530(14) 0.53117(10) 0.0236(4) Uani 1 1 d . . .
H52 H 1.0823 0.3811 0.5511 0.028 Uiso 1 1 calc R . .
C53 C 1.00539(12) 0.27542(14) 0.48013(11) 0.0253(4) Uani 1 1 d . . .
H53 H 1.0436 0.2484 0.4652 0.030 Uiso 1 1 calc R . .
C54 C 0.92555(13) 0.23617(14) 0.45153(11) 0.0267(4) Uani 1 1 d . . .
H54 H 0.9101 0.1822 0.4176 0.032 Uiso 1 1 calc R . .
C55 C 0.86837(11) 0.27699(13) 0.47327(10) 0.0228(3) Uani 1 1 d . . .
H55 H 0.8150 0.2495 0.4543 0.027 Uiso 1 1 calc R . .
C60 C 0.76010(10) 0.50192(12) 0.46273(9) 0.0153(3) Uani 1 1 d . . .
C61 C 0.71819(12) 0.58487(13) 0.47151(10) 0.0249(4) Uani 1 1 d . . .
H61 H 0.7159 0.5943 0.5179 0.030 Uiso 1 1 calc R . .
C62 C 0.67987(13) 0.65348(14) 0.41268(11) 0.0314(4) Uani 1 1 d . . .
H62 H 0.6528 0.7089 0.4201 0.038 Uiso 1 1 calc R . .
C63 C 0.68145(13) 0.64041(14) 0.34290(11) 0.0295(4) Uani 1 1 d . . .
H63 H 0.6563 0.6872 0.3035 0.035 Uiso 1 1 calc R . .
C64 C 0.72066(12) 0.55743(15) 0.33218(10) 0.0275(4) Uani 1 1 d . . .
H64 H 0.7210 0.5474 0.2850 0.033 Uiso 1 1 calc R . .
C65 C 0.75975(11) 0.48845(13) 0.39157(9) 0.0213(3) Uani 1 1 d . . .
H65 H 0.7860 0.4326 0.3836 0.026 Uiso 1 1 calc R . .
Si1 Si 0.64061(3) 0.25761(3) 0.54773(2) 0.01285(9) Uani 1 1 d . . .
Si2 Si 0.77025(3) 0.26543(3) 0.66152(2) 0.01312(9) Uani 1 1 d . . .
P1 P 0.70389(2) 0.02113(3) 0.57012(2) 0.01314(9) Uani 1 1 d . . .
P2 P 0.80470(3) 0.40868(3) 0.54087(2) 0.01356(9) 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 C13 1.503(2) . ?
C1 C2 1.555(2) . ?
C2 C15 1.510(2) . ?
C3 C43 1.506(2) . ?
C3 C4 1.544(3) . ?
C4 C45 1.512(2) . ?
C5 Si1 1.8963(16) . ?
C6 Si1 1.8930(17) . ?
C7 Si2 1.8794(17) . ?
C8 Si2 1.8919(17) . ?
C10 C11 1.392(2) . ?
C10 C19 1.449(2) . ?
C10 Si1 1.9085(16) . ?
C11 C12 1.416(2) . ?
C12 C13 1.365(2) . ?
C13 C14 1.413(2) . ?
C14 C15 1.410(2) . ?
C14 C19 1.416(2) . ?
C15 C16 1.368(2) . ?
C16 C17 1.404(2) . ?
C17 C18 1.385(2) . ?
C18 C19 1.439(2) . ?
C18 P1 1.8279(16) . ?
C20 C21 1.389(2) . ?
C20 C25 1.400(2) . ?
C20 P1 1.8286(17) . ?
C21 C22 1.384(3) . ?
C22 C23 1.389(3) . ?
C23 C24 1.384(3) . ?
C24 C25 1.384(2) . ?
C30 C35 1.396(2) . ?
C30 C31 1.399(2) . ?
C30 P1 1.8338(17) . ?
C31 C32 1.386(2) . ?
C32 C33 1.379(3) . ?
C33 C34 1.384(3) . ?
C34 C35 1.384(2) . ?
C40 C41 1.392(2) . ?
C40 C49 1.449(2) . ?
C40 Si2 1.9043(17) . ?
C41 C42 1.414(2) . ?
C42 C43 1.359(2) . ?
C43 C44 1.413(2) . ?
C44 C45 1.407(2) . ?
C44 C49 1.415(2) . ?
C45 C46 1.366(2) . ?
C46 C47 1.407(2) . ?
C47 C48 1.391(2) . ?
C48 C49 1.440(2) . ?
C48 P2 1.8286(16) . ?
C50 C51 1.392(2) . ?
C50 C55 1.400(2) . ?
C50 P2 1.8326(17) . ?
C51 C52 1.389(2) . ?
C52 C53 1.385(3) . ?
C53 C54 1.381(3) . ?
C54 C55 1.385(2) . ?
C60 C61 1.391(2) . ?
C60 C65 1.393(2) . ?
C60 P2 1.8412(16) . ?
C61 C62 1.380(3) . ?
C62 C63 1.381(3) . ?
C63 C64 1.377(3) . ?
C64 C65 1.391(2) . ?
Si1 Si2 2.3721(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
C13 C1 C2 104.96(13) . . ?
C15 C2 C1 104.67(13) . . ?
C43 C3 C4 104.94(14) . . ?
C45 C4 C3 104.77(14) . . ?
C11 C10 C19 116.58(13) . . ?
C11 C10 Si1 114.28(11) . . ?
C19 C10 Si1 127.84(11) . . ?
C10 C11 C12 125.33(14) . . ?
C13 C12 C11 118.22(14) . . ?
C12 C13 C14 118.50(14) . . ?
C12 C13 C1 131.78(14) . . ?
C14 C13 C1 109.71(14) . . ?
C15 C14 C13 110.94(13) . . ?
C15 C14 C19 124.72(14) . . ?
C13 C14 C19 124.30(14) . . ?
C16 C15 C14 118.73(14) . . ?
C16 C15 C2 131.58(15) . . ?
C14 C15 C2 109.68(14) . . ?
C15 C16 C17 118.21(15) . . ?
C18 C17 C16 124.08(15) . . ?
C17 C18 C19 119.13(14) . . ?
C17 C18 P1 120.60(12) . . ?
C19 C18 P1 120.01(11) . . ?
C14 C19 C18 114.71(13) . . ?
C14 C19 C10 116.65(13) . . ?
C18 C19 C10 128.62(14) . . ?
C21 C20 C25 118.48(16) . . ?
C21 C20 P1 123.84(13) . . ?
C25 C20 P1 117.37(12) . . ?
C22 C21 C20 120.73(18) . . ?
C21 C22 C23 120.15(18) . . ?
C24 C23 C22 119.91(17) . . ?
C25 C24 C23 119.75(18) . . ?
C24 C25 C20 120.97(17) . . ?
C35 C30 C31 118.01(14) . . ?
C35 C30 P1 117.92(12) . . ?
C31 C30 P1 124.04(12) . . ?
C32 C31 C30 120.85(15) . . ?
C33 C32 C31 120.39(16) . . ?
C32 C33 C34 119.43(16) . . ?
C33 C34 C35 120.57(16) . . ?
C34 C35 C30 120.74(16) . . ?
C41 C40 C49 116.45(14) . . ?
C41 C40 Si2 115.17(12) . . ?
C49 C40 Si2 128.08(11) . . ?
C40 C41 C42 125.58(15) . . ?
C43 C42 C41 118.05(15) . . ?
C42 C43 C44 118.73(15) . . ?
C42 C43 C3 131.66(15) . . ?
C44 C43 C3 109.61(15) . . ?
C45 C44 C43 110.81(14) . . ?
C45 C44 C49 124.89(14) . . ?
C43 C44 C49 124.27(15) . . ?
C46 C45 C44 119.11(14) . . ?
C46 C45 C4 131.31(15) . . ?
C44 C45 C4 109.56(14) . . ?
C45 C46 C47 117.92(15) . . ?
C48 C47 C46 124.03(15) . . ?
C47 C48 C49 119.17(14) . . ?
C47 C48 P2 119.63(11) . . ?
C49 C48 P2 119.95(11) . . ?
C44 C49 C48 114.63(13) . . ?
C44 C49 C40 116.54(13) . . ?
C48 C49 C40 128.82(14) . . ?
C51 C50 C55 118.45(15) . . ?
C51 C50 P2 126.62(13) . . ?
C55 C50 P2 114.90(13) . . ?
C52 C51 C50 120.46(16) . . ?
C53 C52 C51 120.42(17) . . ?
C54 C53 C52 119.70(16) . . ?
C53 C54 C55 120.17(17) . . ?
C54 C55 C50 120.77(17) . . ?
C61 C60 C65 117.78(15) . . ?
C61 C60 P2 119.48(12) . . ?
C65 C60 P2 122.47(12) . . ?
C62 C61 C60 121.26(17) . . ?
C61 C62 C63 120.40(18) . . ?
C64 C63 C62 119.36(17) . . ?
C63 C64 C65 120.33(17) . . ?
C64 C65 C60 120.83(16) . . ?
C6 Si1 C5 102.50(8) . . ?
C6 Si1 C10 106.65(7) . . ?
C5 Si1 C10 107.52(7) . . ?
C6 Si1 Si2 105.47(6) . . ?
C5 Si1 Si2 112.22(6) . . ?
C10 Si1 Si2 120.77(5) . . ?
C7 Si2 C8 104.77(8) . . ?
C7 Si2 C40 107.48(7) . . ?
C8 Si2 C40 105.00(7) . . ?
C7 Si2 Si1 120.74(6) . . ?
C8 Si2 Si1 107.96(6) . . ?
C40 Si2 Si1 109.75(5) . . ?
C18 P1 C20 102.31(7) . . ?
C18 P1 C30 103.58(7) . . ?
C20 P1 C30 100.87(7) . . ?
C48 P2 C50 108.02(7) . . ?
C48 P2 C60 100.04(7) . . ?
C50 P2 C60 100.14(7) . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        30.09
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.648
_refine_diff_density_min         -0.432
_refine_diff_density_rms         0.067
####################################################################### 
# 
# 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_shelxl_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1914204'
loop_
_audit_author_name
_audit_author_address
'Enno Lork'
;Bremen University
Germany
;
_audit_update_record             
;
2019-05-06 deposited with the CCDC.	2020-01-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C55 H50 Cl F P2 Rh Si2'
_chemical_formula_weight         986.43

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pcca

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

_cell_length_a                   44.7754(14)
_cell_length_b                   11.8417(4)
_cell_length_c                   16.7861(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     8900.3(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    100
_cell_measurement_reflns_used    9418
_cell_measurement_theta_min      2.50
_cell_measurement_theta_max      36.35

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.472
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4072
_exptl_absorpt_coefficient_mu    0.613
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6906
_exptl_absorpt_correction_T_max  0.7471
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Venture D8 CMOS'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            241985
_diffrn_reflns_av_R_equivalents  0.0402
_diffrn_reflns_av_sigmaI/netI    0.0197
_diffrn_reflns_limit_h_min       -74
_diffrn_reflns_limit_h_max       74
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.47
_diffrn_reflns_theta_max         36.41
_reflns_number_total             21657
_reflns_number_gt                19177
_reflns_threshold_expression     >2sigma(I)

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

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0306P)²+18.8939P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         21657
_refine_ls_number_parameters     563
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0593
_refine_ls_R_factor_gt           0.0504
_refine_ls_wR_factor_ref         0.1272
_refine_ls_wR_factor_gt          0.1207
_refine_ls_goodness_of_fit_ref   1.350
_refine_ls_restrained_S_all      1.350
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.70325(5) 0.17797(18) 0.28386(13) 0.0179(4) Uani 1 1 d . . .
H1A H 0.6908 0.1117 0.2702 0.022 Uiso 1 1 calc R . .
H1B H 0.7204 0.1525 0.3163 0.022 Uiso 1 1 calc R . .
C2 C 0.71404(5) 0.23965(18) 0.20729(14) 0.0188(4) Uani 1 1 d . . .
H2A H 0.7358 0.2288 0.1993 0.023 Uiso 1 1 calc R . .
H2B H 0.7033 0.2112 0.1598 0.023 Uiso 1 1 calc R . .
C3 C 0.47455(5) 0.5048(2) 0.39695(14) 0.0189(4) Uani 1 1 d . . .
H3A H 0.4724 0.4351 0.4290 0.023 Uiso 1 1 calc R . .
H3B H 0.4614 0.4995 0.3497 0.023 Uiso 1 1 calc R . .
C4 C 0.46675(5) 0.6107(2) 0.44742(15) 0.0196(4) Uani 1 1 d . . .
H4A H 0.4507 0.6552 0.4216 0.023 Uiso 1 1 calc R . .
H4B H 0.4601 0.5886 0.5014 0.023 Uiso 1 1 calc R . .
C5 C 0.66383(5) 0.61907(19) 0.53339(14) 0.0192(4) Uani 1 1 d . . .
H5A H 0.6527 0.6644 0.5723 0.029 Uiso 1 1 calc R . .
H5B H 0.6815 0.6610 0.5156 0.029 Uiso 1 1 calc R . .
H5C H 0.6701 0.5480 0.5582 0.029 Uiso 1 1 calc R . .
C6 C 0.60502(5) 0.51796(17) 0.49067(13) 0.0158(3) Uani 1 1 d . . .
H6A H 0.6111 0.4728 0.5368 0.024 Uiso 1 1 calc R . .
H6B H 0.5955 0.4688 0.4511 0.024 Uiso 1 1 calc R . .
H6C H 0.5908 0.5761 0.5077 0.024 Uiso 1 1 calc R . .
C7 C 0.61535(5) 0.54362(19) 0.22952(13) 0.0169(3) Uani 1 1 d . . .
H7A H 0.6190 0.4755 0.2613 0.025 Uiso 1 1 calc R . .
H7B H 0.6339 0.5670 0.2035 0.025 Uiso 1 1 calc R . .
H7C H 0.6002 0.5275 0.1890 0.025 Uiso 1 1 calc R . .
C8 C 0.58859(5) 0.7771(2) 0.22703(14) 0.0206(4) Uani 1 1 d . . .
H8A H 0.6035 0.8378 0.2260 0.031 Uiso 1 1 calc R . .
H8B H 0.5695 0.8072 0.2461 0.031 Uiso 1 1 calc R . .
H8C H 0.5860 0.7465 0.1732 0.031 Uiso 1 1 calc R . .
C10 C 0.65888(4) 0.46745(16) 0.39090(11) 0.0123(3) Uani 1 1 d . . .
C11 C 0.65470(5) 0.36032(17) 0.42362(14) 0.0172(4) Uani 1 1 d . . .
H11 H 0.6422 0.3548 0.4692 0.021 Uiso 1 1 calc R . .
C12 C 0.66755(5) 0.25933(17) 0.39454(14) 0.0180(4) Uani 1 1 d . . .
H12 H 0.6641 0.1891 0.4203 0.022 Uiso 1 1 calc R . .
C13 C 0.68520(5) 0.26590(16) 0.32789(13) 0.0144(3) Uani 1 1 d . . .
C14 C 0.68929(4) 0.37203(16) 0.29163(12) 0.0129(3) Uani 1 1 d . . .
C15 C 0.70687(4) 0.36248(17) 0.22197(12) 0.0136(3) Uani 1 1 d . . .
C16 C 0.71361(4) 0.45780(17) 0.17968(13) 0.0146(3) Uani 1 1 d . . .
H16 H 0.7248 0.4537 0.1317 0.017 Uiso 1 1 calc R . .
C17 C 0.70341(4) 0.56284(17) 0.20936(12) 0.0131(3) Uani 1 1 d . . .
H17 H 0.7088 0.6295 0.1813 0.016 Uiso 1 1 calc R . .
C18 C 0.68593(4) 0.57338(16) 0.27742(11) 0.0115(3) Uani 1 1 d . . .
C19 C 0.67752(4) 0.47429(15) 0.32143(12) 0.0115(3) Uani 1 1 d . . .
C20 C 0.68429(4) 0.80382(16) 0.23005(13) 0.0146(3) Uani 1 1 d . . .
C21 C 0.66405(5) 0.79321(19) 0.16692(14) 0.0187(4) Uani 1 1 d . . .
H21 H 0.6483 0.7397 0.1705 0.022 Uiso 1 1 calc R . .
C22 C 0.66665(6) 0.8597(2) 0.09918(15) 0.0222(4) Uani 1 1 d . . .
H22 H 0.6528 0.8516 0.0568 0.027 Uiso 1 1 calc R . .
C23 C 0.68965(6) 0.9383(2) 0.09352(16) 0.0236(5) Uani 1 1 d . . .
H23 H 0.6916 0.9837 0.0472 0.028 Uiso 1 1 calc R . .
C24 C 0.70955(5) 0.94984(19) 0.15574(16) 0.0231(5) Uani 1 1 d . . .
H24 H 0.7251 1.0040 0.1521 0.028 Uiso 1 1 calc R . .
C25 C 0.70714(5) 0.88287(17) 0.22423(15) 0.0183(4) Uani 1 1 d . . .
H25 H 0.7211 0.8914 0.2665 0.022 Uiso 1 1 calc R . .
C30 C 0.71124(4) 0.73244(17) 0.38216(13) 0.0140(3) Uani 1 1 d . . .
C31 C 0.73314(5) 0.64860(17) 0.38841(13) 0.0160(3) Uani 1 1 d . . .
H31 H 0.7320 0.5839 0.3551 0.019 Uiso 1 1 calc R . .
C32 C 0.75653(5) 0.6583(2) 0.44265(14) 0.0197(4) Uani 1 1 d . . .
H32 H 0.7711 0.6002 0.4463 0.024 Uiso 1 1 calc R . .
C33 C 0.75861(5) 0.7521(2) 0.49116(15) 0.0231(4) Uani 1 1 d . . .
H33 H 0.7743 0.7582 0.5289 0.028 Uiso 1 1 calc R . .
C34 C 0.73759(6) 0.8370(3) 0.48421(19) 0.0318(6) Uani 1 1 d . . .
H34 H 0.7394 0.9028 0.5163 0.038 Uiso 1 1 calc R . .
C35 C 0.71386(5) 0.8277(2) 0.43083(17) 0.0264(5) Uani 1 1 d . . .
H35 H 0.6994 0.8863 0.4275 0.032 Uiso 1 1 calc R . .
C40 C 0.56586(4) 0.60326(17) 0.34095(12) 0.0131(3) Uani 1 1 d . . .
C41 C 0.55463(5) 0.50175(18) 0.31130(13) 0.0154(3) Uani 1 1 d . . .
H41 H 0.5674 0.4583 0.2780 0.019 Uiso 1 1 calc R . .
C42 C 0.52571(5) 0.45826(18) 0.32695(13) 0.0170(3) Uani 1 1 d . . .
H42 H 0.5197 0.3869 0.3066 0.020 Uiso 1 1 calc R . .
C43 C 0.50673(4) 0.52194(18) 0.37208(13) 0.0158(3) Uani 1 1 d . . .
C44 C 0.51752(4) 0.62383(17) 0.40557(12) 0.0136(3) Uani 1 1 d . . .
C45 C 0.49533(4) 0.67805(18) 0.45148(13) 0.0157(3) Uani 1 1 d . . .
C46 C 0.50245(5) 0.77645(19) 0.49051(14) 0.0181(4) Uani 1 1 d . . .
H46 H 0.4879 0.8161 0.5208 0.022 Uiso 1 1 calc R . .
C47 C 0.53211(5) 0.81691(18) 0.48416(14) 0.0168(3) Uani 1 1 d . . .
H47 H 0.5372 0.8842 0.5119 0.020 Uiso 1 1 calc R . .
C48 C 0.55429(4) 0.76398(16) 0.43965(12) 0.0128(3) Uani 1 1 d . . .
C49 C 0.54699(4) 0.66479(16) 0.39494(11) 0.0118(3) Uani 1 1 d . . .
C50 C 0.60115(4) 0.81294(16) 0.55406(12) 0.0139(3) Uani 1 1 d . . .
C51 C 0.58346(5) 0.75733(17) 0.60977(13) 0.0160(3) Uani 1 1 d . . .
H51 H 0.5656 0.7210 0.5934 0.019 Uiso 1 1 calc R . .
C52 C 0.59200(6) 0.7551(2) 0.68938(14) 0.0208(4) Uani 1 1 d . . .
H52 H 0.5801 0.7151 0.7268 0.025 Uiso 1 1 calc R . .
C53 C 0.61758(6) 0.8102(2) 0.71508(14) 0.0226(4) Uani 1 1 d . . .
H53 H 0.6229 0.8101 0.7699 0.027 Uiso 1 1 calc R . .
C54 C 0.63540(5) 0.8657(2) 0.65947(14) 0.0209(4) Uani 1 1 d . . .
H54 H 0.6529 0.9041 0.6764 0.025 Uiso 1 1 calc R . .
C55 C 0.62762(5) 0.86505(18) 0.57954(13) 0.0165(3) Uani 1 1 d . . .
H55 H 0.6403 0.9003 0.5416 0.020 Uiso 1 1 calc R . .
C60 C 0.58350(4) 0.97479(16) 0.43701(12) 0.0134(3) Uani 1 1 d . . .
C61 C 0.56925(5) 1.01062(19) 0.36733(13) 0.0198(4) Uani 1 1 d . . .
H61 H 0.5636 0.9567 0.3283 0.024 Uiso 1 1 calc R . .
C62 C 0.56336(6) 1.1240(2) 0.35479(16) 0.0224(4) Uani 1 1 d . . .
H62 H 0.5534 1.1470 0.3075 0.027 Uiso 1 1 calc R . .
C63 C 0.57182(5) 1.20432(19) 0.41065(16) 0.0211(4) Uani 1 1 d . . .
H63 H 0.5683 1.2822 0.4011 0.025 Uiso 1 1 calc R . .
C64 C 0.58545(6) 1.16984(19) 0.48021(16) 0.0239(4) Uani 1 1 d . . .
H64 H 0.5911 1.2242 0.5190 0.029 Uiso 1 1 calc R . .
C65 C 0.59100(5) 1.05562(18) 0.49396(14) 0.0198(4) Uani 1 1 d . . .
H65 H 0.6000 1.0327 0.5426 0.024 Uiso 1 1 calc R . .
C70 C 0.50788(7) 0.9305(3) 0.71521(18) 0.0341(6) Uani 1 1 d . . .
C71 C 0.51615(8) 1.0294(4) 0.6789(2) 0.0410(8) Uani 1 1 d . . .
H71 H 0.5272 1.0290 0.6305 0.049 Uiso 1 1 calc R . .
C72 C 0.50794(7) 1.1298(3) 0.7148(2) 0.0409(7) Uani 1 1 d . . .
H72 H 0.5133 1.1995 0.6907 0.049 Uiso 1 1 calc R . .
Cl1 Cl 0.649931(12) 0.95527(4) 0.37109(4) 0.02040(10) Uani 1 1 d . . .
F1 F 0.51507(6) 0.8290(2) 0.68282(15) 0.0530(6) Uani 1 1 d . . .
P1 P 0.678517(11) 0.71317(4) 0.31688(3) 0.01120(8) Uani 1 1 d . . .
P2 P 0.591914(11) 0.82339(4) 0.44819(3) 0.01115(8) Uani 1 1 d . . .
Rh1 Rh 0.633722(3) 0.758418(11) 0.377871(9) 0.01005(3) Uani 1 1 d . . .
Si1 Si 0.639090(12) 0.58781(5) 0.44506(3) 0.01113(9) Uani 1 1 d . . .
Si2 Si 0.601730(12) 0.66054(5) 0.29656(3) 0.01231(9) 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 C13 1.511(3) . ?
C1 C2 1.555(3) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C15 1.510(3) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C43 1.514(3) . ?
C3 C4 1.553(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C45 1.510(3) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 Si1 1.887(2) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 Si1 1.897(2) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 Si2 1.886(2) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 Si2 1.901(2) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C10 C11 1.395(3) . ?
C10 C19 1.436(3) . ?
C10 Si1 1.9087(19) . ?
C11 C12 1.414(3) . ?
C11 H11 0.9500 . ?
C12 C13 1.372(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.408(3) . ?
C14 C19 1.412(3) . ?
C14 C15 1.414(3) . ?
C15 C16 1.367(3) . ?
C16 C17 1.416(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.391(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.437(3) . ?
C18 P1 1.8136(19) . ?
C20 C25 1.390(3) . ?
C20 C21 1.400(3) . ?
C20 P1 1.829(2) . ?
C21 C22 1.388(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.391(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.379(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.401(3) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C30 C35 1.398(3) . ?
C30 C31 1.399(3) . ?
C30 P1 1.844(2) . ?
C31 C32 1.393(3) . ?
C31 H31 0.9500 . ?
C32 C33 1.380(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.382(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.394(4) . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?
C40 C41 1.395(3) . ?
C40 C49 1.437(3) . ?
C40 Si2 1.896(2) . ?
C41 C42 1.418(3) . ?
C41 H41 0.9500 . ?
C42 C43 1.366(3) . ?
C42 H42 0.9500 . ?
C43 C44 1.416(3) . ?
C44 C45 1.412(3) . ?
C44 C49 1.417(3) . ?
C45 C46 1.374(3) . ?
C46 C47 1.416(3) . ?
C46 H46 0.9500 . ?
C47 C48 1.392(3) . ?
C47 H47 0.9500 . ?
C48 C49 1.432(3) . ?
C48 P2 1.8314(19) . ?
C50 C51 1.391(3) . ?
C50 C55 1.403(3) . ?
C50 P2 1.829(2) . ?
C51 C52 1.390(3) . ?
C51 H51 0.9500 . ?
C52 C53 1.387(4) . ?
C52 H52 0.9500 . ?
C53 C54 1.393(3) . ?
C53 H53 0.9500 . ?
C54 C55 1.386(3) . ?
C54 H54 0.9500 . ?
C55 H55 0.9500 . ?
C60 C65 1.394(3) . ?
C60 C61 1.398(3) . ?
C60 P2 1.842(2) . ?
C61 C62 1.384(3) . ?
C61 H61 0.9500 . ?
C62 C63 1.389(4) . ?
C62 H62 0.9500 . ?
C63 C64 1.379(4) . ?
C63 H63 0.9500 . ?
C64 C65 1.394(3) . ?
C64 H64 0.9500 . ?
C65 H65 0.9500 . ?
C70 F1 1.358(4) . ?
C70 C70 1.365(6) 3_656 ?
C70 C71 1.371(5) . ?
C71 C72 1.383(6) . ?
C71 H71 0.9500 . ?
C72 C72 1.380(8) 3_656 ?
C72 H72 0.9500 . ?
Cl1 Rh1 2.4441(5) . ?
P1 Rh1 2.3147(5) . ?
P2 Rh1 2.3430(5) . ?
Rh1 Si2 2.2931(6) . ?
Rh1 Si1 2.3262(6) . ?

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
C13 C1 C2 104.28(17) . . ?
C13 C1 H1A 110.9 . . ?
C2 C1 H1A 110.9 . . ?
C13 C1 H1B 110.9 . . ?
C2 C1 H1B 110.9 . . ?
H1A C1 H1B 108.9 . . ?
C15 C2 C1 104.58(17) . . ?
C15 C2 H2A 110.8 . . ?
C1 C2 H2A 110.8 . . ?
C15 C2 H2B 110.8 . . ?
C1 C2 H2B 110.8 . . ?
H2A C2 H2B 108.9 . . ?
C43 C3 C4 104.87(17) . . ?
C43 C3 H3A 110.8 . . ?
C4 C3 H3A 110.8 . . ?
C43 C3 H3B 110.8 . . ?
C4 C3 H3B 110.8 . . ?
H3A C3 H3B 108.8 . . ?
C45 C4 C3 105.09(17) . . ?
C45 C4 H4A 110.7 . . ?
C3 C4 H4A 110.7 . . ?
C45 C4 H4B 110.7 . . ?
C3 C4 H4B 110.7 . . ?
H4A C4 H4B 108.8 . . ?
Si1 C5 H5A 109.5 . . ?
Si1 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
Si1 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si1 C6 H6A 109.5 . . ?
Si1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si2 C7 H7A 109.5 . . ?
Si2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si2 C8 H8A 109.5 . . ?
Si2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C11 C10 C19 116.68(17) . . ?
C11 C10 Si1 115.41(14) . . ?
C19 C10 Si1 127.91(14) . . ?
C10 C11 C12 125.3(2) . . ?
C10 C11 H11 117.3 . . ?
C12 C11 H11 117.3 . . ?
C13 C12 C11 117.90(19) . . ?
C13 C12 H12 121.0 . . ?
C11 C12 H12 121.0 . . ?
C12 C13 C14 118.56(18) . . ?
C12 C13 C1 131.90(19) . . ?
C14 C13 C1 109.50(18) . . ?
C13 C14 C19 124.29(18) . . ?
C13 C14 C15 111.01(17) . . ?
C19 C14 C15 124.70(18) . . ?
C16 C15 C14 119.09(18) . . ?
C16 C15 C2 131.59(19) . . ?
C14 C15 C2 109.28(18) . . ?
C15 C16 C17 118.13(18) . . ?
C15 C16 H16 120.9 . . ?
C17 C16 H16 120.9 . . ?
C18 C17 C16 123.34(18) . . ?
C18 C17 H17 118.3 . . ?
C16 C17 H17 118.3 . . ?
C17 C18 C19 119.78(17) . . ?
C17 C18 P1 119.01(14) . . ?
C19 C18 P1 120.64(14) . . ?
C14 C19 C10 117.14(17) . . ?
C14 C19 C18 114.85(17) . . ?
C10 C19 C18 128.01(17) . . ?
C25 C20 C21 118.9(2) . . ?
C25 C20 P1 123.73(18) . . ?
C21 C20 P1 117.34(15) . . ?
C22 C21 C20 121.0(2) . . ?
C22 C21 H21 119.5 . . ?
C20 C21 H21 119.5 . . ?
C21 C22 C23 119.8(2) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 H22 120.1 . . ?
C24 C23 C22 119.5(2) . . ?
C24 C23 H23 120.2 . . ?
C22 C23 H23 120.2 . . ?
C23 C24 C25 121.0(2) . . ?
C23 C24 H24 119.5 . . ?
C25 C24 H24 119.5 . . ?
C20 C25 C24 119.7(2) . . ?
C20 C25 H25 120.1 . . ?
C24 C25 H25 120.1 . . ?
C35 C30 C31 118.04(19) . . ?
C35 C30 P1 120.91(16) . . ?
C31 C30 P1 120.90(15) . . ?
C32 C31 C30 121.17(19) . . ?
C32 C31 H31 119.4 . . ?
C30 C31 H31 119.4 . . ?
C33 C32 C31 120.2(2) . . ?
C33 C32 H32 119.9 . . ?
C31 C32 H32 119.9 . . ?
C32 C33 C34 119.3(2) . . ?
C32 C33 H33 120.3 . . ?
C34 C33 H33 120.3 . . ?
C33 C34 C35 121.0(2) . . ?
C33 C34 H34 119.5 . . ?
C35 C34 H34 119.5 . . ?
C34 C35 C30 120.2(2) . . ?
C34 C35 H35 119.9 . . ?
C30 C35 H35 119.9 . . ?
C41 C40 C49 116.74(17) . . ?
C41 C40 Si2 118.25(15) . . ?
C49 C40 Si2 124.36(14) . . ?
C40 C41 C42 125.17(19) . . ?
C40 C41 H41 117.4 . . ?
C42 C41 H41 117.4 . . ?
C43 C42 C41 118.06(19) . . ?
C43 C42 H42 121.0 . . ?
C41 C42 H42 121.0 . . ?
C42 C43 C44 118.58(18) . . ?
C42 C43 C3 132.18(19) . . ?
C44 C43 C3 109.23(19) . . ?
C45 C44 C43 111.34(18) . . ?
C45 C44 C49 124.63(19) . . ?
C43 C44 C49 124.02(19) . . ?
C46 C45 C44 118.86(18) . . ?
C46 C45 C4 131.8(2) . . ?
C44 C45 C4 109.38(19) . . ?
C45 C46 C47 117.94(19) . . ?
C45 C46 H46 121.0 . . ?
C47 C46 H46 121.0 . . ?
C48 C47 C46 123.86(19) . . ?
C48 C47 H47 118.1 . . ?
C46 C47 H47 118.1 . . ?
C47 C48 C49 119.22(17) . . ?
C47 C48 P2 116.19(15) . . ?
C49 C48 P2 124.48(14) . . ?
C44 C49 C48 115.30(17) . . ?
C44 C49 C40 116.95(17) . . ?
C48 C49 C40 127.75(17) . . ?
C51 C50 C55 119.0(2) . . ?
C51 C50 P2 123.80(16) . . ?
C55 C50 P2 117.24(15) . . ?
C52 C51 C50 119.9(2) . . ?
C52 C51 H51 120.1 . . ?
C50 C51 H51 120.1 . . ?
C53 C52 C51 121.1(2) . . ?
C53 C52 H52 119.4 . . ?
C51 C52 H52 119.4 . . ?
C52 C53 C54 119.1(2) . . ?
C52 C53 H53 120.4 . . ?
C54 C53 H53 120.4 . . ?
C55 C54 C53 120.1(2) . . ?
C55 C54 H54 119.9 . . ?
C53 C54 H54 119.9 . . ?
C54 C55 C50 120.7(2) . . ?
C54 C55 H55 119.7 . . ?
C50 C55 H55 119.7 . . ?
C65 C60 C61 118.38(19) . . ?
C65 C60 P2 123.32(16) . . ?
C61 C60 P2 118.29(16) . . ?
C62 C61 C60 120.6(2) . . ?
C62 C61 H61 119.7 . . ?
C60 C61 H61 119.7 . . ?
C61 C62 C63 120.7(2) . . ?
C61 C62 H62 119.7 . . ?
C63 C62 H62 119.7 . . ?
C64 C63 C62 119.3(2) . . ?
C64 C63 H63 120.4 . . ?
C62 C63 H63 120.4 . . ?
C63 C64 C65 120.4(2) . . ?
C63 C64 H64 119.8 . . ?
C65 C64 H64 119.8 . . ?
C60 C65 C64 120.6(2) . . ?
C60 C65 H65 119.7 . . ?
C64 C65 H65 119.7 . . ?
F1 C70 C70 117.73(18) . 3_656 ?
F1 C70 C71 120.9(3) . . ?
C70 C70 C71 121.4(2) 3_656 . ?
C70 C71 C72 117.9(3) . . ?
C70 C71 H71 121.0 . . ?
C72 C71 H71 121.0 . . ?
C72 C72 C71 120.7(2) 3_656 . ?
C72 C72 H72 119.7 3_656 . ?
C71 C72 H72 119.7 . . ?
C18 P1 C20 102.64(9) . . ?
C18 P1 C30 100.64(9) . . ?
C20 P1 C30 106.78(10) . . ?
C18 P1 Rh1 122.10(6) . . ?
C20 P1 Rh1 109.82(7) . . ?
C30 P1 Rh1 113.40(7) . . ?
C50 P2 C48 104.96(9) . . ?
C50 P2 C60 102.19(9) . . ?
C48 P2 C60 100.24(9) . . ?
C50 P2 Rh1 106.66(7) . . ?
C48 P2 Rh1 124.71(7) . . ?
C60 P2 Rh1 115.58(6) . . ?
Si2 Rh1 P1 99.268(19) . . ?
Si2 Rh1 Si1 85.08(2) . . ?
P1 Rh1 Si1 85.632(19) . . ?
Si2 Rh1 P2 88.094(19) . . ?
P1 Rh1 P2 172.364(19) . . ?
Si1 Rh1 P2 97.093(19) . . ?
Si2 Rh1 Cl1 129.78(2) . . ?
P1 Rh1 Cl1 86.726(18) . . ?
Si1 Rh1 Cl1 145.11(2) . . ?
P2 Rh1 Cl1 86.992(18) . . ?
C5 Si1 C6 103.91(10) . . ?
C5 Si1 C10 104.37(10) . . ?
C6 Si1 C10 103.89(9) . . ?
C5 Si1 Rh1 105.74(7) . . ?
C6 Si1 Rh1 119.43(7) . . ?
C10 Si1 Rh1 117.75(6) . . ?
C7 Si2 C40 104.23(9) . . ?
C7 Si2 C8 105.48(11) . . ?
C40 Si2 C8 103.83(10) . . ?
C7 Si2 Rh1 121.62(7) . . ?
C40 Si2 Rh1 118.43(7) . . ?
C8 Si2 Rh1 101.05(8) . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        36.41
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.231
_refine_diff_density_min         -2.446
_refine_diff_density_rms         0.174
