# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_fjl235a
_database_code_depnum_ccdc_archive 'CCDC 1030706'
_audit_update_record             
;
2014-10-23 deposited with the CCDC.
2015-01-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
'[2,2-(2-C2H4)(PPh3)-6-(PPh3)-closo-2,1-RhSB8H7] (2)'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C39 H44 B8 O3 P2 Rh S, 0.5(C6 H14)'
_chemical_formula_sum            'C42 H51 B8 O3 P2 Rh S'
_chemical_formula_weight         824.18

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'

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

_cell_length_a                   16.5229(17)
_cell_length_b                   10.9010(11)
_cell_length_c                   22.038(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 105.871(2)
_cell_angle_gamma                90.00
_cell_volume                     3818.1(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5669
_cell_measurement_theta_min      2.26
_cell_measurement_theta_max      27.90

_exptl_crystal_description       Block
_exptl_crystal_colour            Red
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.125
_exptl_crystal_size_min          0.086
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.543
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1832
_exptl_absorpt_coefficient_mu    0.629
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8419
_exptl_absorpt_correction_T_max  0.9446
_exptl_absorpt_process_details   
; 
 Multi-scan correction included in APEX2 package (Bruker AXS, 2008)
;


_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_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 APEX DUO system'
_diffrn_measurement_method       'ω rotations with narrow frames'
_diffrn_detector_area_resol_mean 8.26
_diffrn_standards_decay_%        no-decay
_diffrn_reflns_number            44023
_diffrn_reflns_av_R_equivalents  0.0795
_diffrn_reflns_av_sigmaI/netI    0.0704
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.80
_diffrn_reflns_theta_max         27.48
_reflns_number_total             8666
_reflns_number_gt                6797
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 v. 2008.4 (Bruker AXS, 2008)'
_computing_cell_refinement       'APEX2 v. 2008.4 (Bruker AXS, 2008)'
_computing_data_reduction        'APEX2 v. 2008.4 (Bruker AXS, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ORTEP

_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.

 Hydrogen atoms have been observed in Fourier difference
 maps. In order to improve the data over parameter ratio, Hydrogen atoms of
 organic fragment  have been included in the model in calculated positions 
 and refined within a riding model. 
 Hydrogens in the borane group and the ethylene ligand have been observed.

 There are solvent accessible VOIDS in the structure and two different
 zones where residual density peaks are observed. However the solvent is disordered
 so badly that it cannot be modelled even with restraints. Therefore, SQUEEZE corrections
 have been applied. The total potential solvent accesible void volume (224 Α3)
 and the electron count (98 e in the unit cell) agree with the presence of two
 hexane molecules (C6 H14). They have been included in the chemical formula,
 F00 and density. Results of the SQUEEZE calculations are included at the end of 
 this cif file.

;

_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)+(0.0202P)²+7.4190P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8666
_refine_ls_number_parameters     491
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0885
_refine_ls_R_factor_gt           0.0633
_refine_ls_wR_factor_ref         0.1136
_refine_ls_wR_factor_gt          0.1052
_refine_ls_goodness_of_fit_ref   1.149
_refine_ls_restrained_S_all      1.149
_refine_ls_shift/su_max          0.000
_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
Rh2 Rh 0.42026(2) 0.49277(3) 0.119493(15) 0.01884(9) Uani 1 1 d . . .
S1 S 0.38148(7) 0.67743(10) 0.15075(5) 0.0253(2) Uani 1 1 d . . .
P1 P 0.29053(7) 0.46994(10) 0.04580(5) 0.0193(2) Uani 1 1 d . . .
P2 P 0.48017(7) 0.29838(10) 0.25664(5) 0.0201(2) Uani 1 1 d . . .
B4 B 0.4663(4) 0.7180(5) 0.2271(3) 0.0281(12) Uani 1 1 d . . .
B3 B 0.4997(3) 0.6782(5) 0.1524(3) 0.0266(11) Uani 1 1 d . . .
H3B H 0.5178 0.7394 0.1175 0.032 Uiso 1 1 d R . .
B8 B 0.5688(3) 0.6665(5) 0.2299(3) 0.0277(11) Uani 1 1 d . . .
B9 B 0.5084(3) 0.5934(5) 0.2777(2) 0.0248(11) Uani 1 1 d . . .
B10 B 0.5855(3) 0.5188(5) 0.2561(2) 0.0245(11) Uani 1 1 d . . .
B7 B 0.5540(3) 0.5357(5) 0.1759(2) 0.0244(11) Uani 1 1 d . . .
B6 B 0.4885(3) 0.4608(4) 0.2246(2) 0.0191(10) Uani 1 1 d . . .
B5 B 0.4074(3) 0.5671(5) 0.2243(2) 0.0238(11) Uani 1 1 d . . .
C1 C 0.1964(3) 0.4481(4) 0.0734(2) 0.0203(9) Uani 1 1 d . . .
C2 C 0.1949(3) 0.4953(4) 0.13173(19) 0.0248(9) Uani 1 1 d . . .
H2 H 0.2422 0.5391 0.1564 0.030 Uiso 1 1 calc R . .
C3 C 0.1248(3) 0.4787(4) 0.1542(2) 0.0269(10) Uani 1 1 d . . .
H3 H 0.1251 0.5093 0.1946 0.032 Uiso 1 1 calc R . .
C4 C 0.0555(3) 0.4188(4) 0.1185(2) 0.0304(11) Uani 1 1 d . . .
H4 H 0.0077 0.4076 0.1339 0.036 Uiso 1 1 calc R . .
C5 C 0.0555(3) 0.3748(4) 0.0600(2) 0.0304(11) Uani 1 1 d . . .
H5 H 0.0067 0.3350 0.0346 0.037 Uiso 1 1 calc R . .
C6 C 0.1255(3) 0.3878(4) 0.0375(2) 0.0241(9) Uani 1 1 d . . .
H6 H 0.1250 0.3553 -0.0026 0.029 Uiso 1 1 calc R . .
C7 C 0.2813(3) 0.3427(4) -0.0098(2) 0.0205(9) Uani 1 1 d . . .
C8 C 0.2744(3) 0.2235(4) 0.0113(2) 0.0259(10) Uani 1 1 d . . .
H8 H 0.2689 0.2110 0.0527 0.031 Uiso 1 1 calc R . .
C9 C 0.2753(3) 0.1238(4) -0.0268(2) 0.0308(11) Uani 1 1 d . . .
H9 H 0.2712 0.0432 -0.0116 0.037 Uiso 1 1 calc R . .
C10 C 0.2823(3) 0.1418(4) -0.0881(2) 0.0292(10) Uani 1 1 d . . .
H10 H 0.2817 0.0738 -0.1151 0.035 Uiso 1 1 calc R . .
C11 C 0.2900(3) 0.2590(4) -0.1087(2) 0.0273(10) Uani 1 1 d . . .
H11 H 0.2963 0.2712 -0.1498 0.033 Uiso 1 1 calc R . .
C12 C 0.2887(3) 0.3594(4) -0.0708(2) 0.0250(10) Uani 1 1 d . . .
H12 H 0.2929 0.4398 -0.0862 0.030 Uiso 1 1 calc R . .
C13 C 0.2613(3) 0.6032(4) -0.0058(2) 0.0212(9) Uani 1 1 d . . .
C14 C 0.3237(3) 0.6744(4) -0.0198(2) 0.0305(11) Uani 1 1 d . . .
H14 H 0.3811 0.6550 -0.0007 0.037 Uiso 1 1 calc R . .
C15 C 0.3041(3) 0.7725(5) -0.0606(2) 0.0358(12) Uani 1 1 d . . .
H15 H 0.3477 0.8190 -0.0702 0.043 Uiso 1 1 calc R . .
C16 C 0.2205(3) 0.8030(4) -0.0877(2) 0.0269(10) Uani 1 1 d . . .
H16 H 0.2067 0.8703 -0.1161 0.032 Uiso 1 1 calc R . .
C17 C 0.1585(3) 0.7365(4) -0.0736(2) 0.0285(10) Uani 1 1 d . . .
H17 H 0.1014 0.7590 -0.0913 0.034 Uiso 1 1 calc R . .
C18 C 0.1779(3) 0.6364(4) -0.0337(2) 0.0263(10) Uani 1 1 d . . .
H18 H 0.1338 0.5895 -0.0251 0.032 Uiso 1 1 calc R . .
C19 C 0.3900(3) 0.2095(4) 0.21363(19) 0.0223(9) Uani 1 1 d . . .
C20 C 0.3975(3) 0.0916(4) 0.1907(2) 0.0269(10) Uani 1 1 d . . .
H20 H 0.4515 0.0565 0.1955 0.032 Uiso 1 1 calc R . .
C21 C 0.3256(3) 0.0263(4) 0.1608(2) 0.0320(11) Uani 1 1 d . . .
H21 H 0.3307 -0.0530 0.1443 0.038 Uiso 1 1 calc R . .
C22 C 0.2468(3) 0.0750(4) 0.1548(2) 0.0304(11) Uani 1 1 d . . .
H22 H 0.1981 0.0279 0.1359 0.036 Uiso 1 1 calc R . .
C23 C 0.2387(3) 0.1924(4) 0.1761(2) 0.0271(10) Uani 1 1 d . . .
H23 H 0.1844 0.2268 0.1712 0.033 Uiso 1 1 calc R . .
C24 C 0.3097(3) 0.2592(4) 0.2046(2) 0.0257(10) Uani 1 1 d . . .
H24 H 0.3040 0.3406 0.2183 0.031 Uiso 1 1 calc R . .
C25 C 0.4720(3) 0.3133(4) 0.3372(2) 0.0224(9) Uani 1 1 d . . .
C26 C 0.5432(3) 0.3530(4) 0.3828(2) 0.0308(11) Uani 1 1 d . . .
H26 H 0.5946 0.3642 0.3721 0.037 Uiso 1 1 calc R . .
C27 C 0.5392(3) 0.3761(5) 0.4435(2) 0.0362(12) Uani 1 1 d . . .
H27 H 0.5877 0.4038 0.4746 0.043 Uiso 1 1 calc R . .
C28 C 0.4643(3) 0.3587(4) 0.4590(2) 0.0345(12) Uani 1 1 d . . .
H28 H 0.4614 0.3768 0.5005 0.041 Uiso 1 1 calc R . .
C29 C 0.3947(3) 0.3161(4) 0.4154(2) 0.0352(12) Uani 1 1 d . . .
H29 H 0.3441 0.3013 0.4269 0.042 Uiso 1 1 calc R . .
C30 C 0.3982(3) 0.2943(4) 0.3538(2) 0.0256(10) Uani 1 1 d . . .
H30 H 0.3495 0.2662 0.3231 0.031 Uiso 1 1 calc R . .
C31 C 0.5697(3) 0.1981(4) 0.26304(19) 0.0218(9) Uani 1 1 d . . .
C32 C 0.5753(3) 0.0936(4) 0.2993(2) 0.0254(10) Uani 1 1 d . . .
H32 H 0.5365 0.0807 0.3235 0.030 Uiso 1 1 calc R . .
C33 C 0.6376(3) 0.0070(5) 0.3004(2) 0.0307(10) Uani 1 1 d . . .
H33 H 0.6412 -0.0652 0.3252 0.037 Uiso 1 1 calc R . .
C34 C 0.6948(3) 0.0267(4) 0.2652(2) 0.0298(11) Uani 1 1 d . . .
H34 H 0.7365 -0.0331 0.2648 0.036 Uiso 1 1 calc R . .
C35 C 0.6906(3) 0.1321(4) 0.2313(2) 0.0273(10) Uani 1 1 d . . .
H35 H 0.7307 0.1460 0.2083 0.033 Uiso 1 1 calc R . .
C36 C 0.6292(3) 0.2196(4) 0.2295(2) 0.0228(9) Uani 1 1 d . . .
H36 H 0.6274 0.2930 0.2060 0.027 Uiso 1 1 calc R . .
C37 C 0.4645(3) 0.3179(5) 0.0958(2) 0.0263(10) Uani 1 1 d . . .
C38 C 0.4746(3) 0.4064(5) 0.0530(2) 0.0300(11) Uani 1 1 d . . .
H37A H 0.527(3) 0.450(4) 0.057(2) 0.037(15) Uiso 1 1 d . . .
H37B H 0.418(3) 0.263(4) 0.084(2) 0.029(13) Uiso 1 1 d . . .
H38A H 0.441(3) 0.411(4) 0.008(2) 0.028(13) Uiso 1 1 d . . .
H38B H 0.510(3) 0.303(5) 0.128(2) 0.043(16) Uiso 1 1 d . . .
H4B H 0.455(3) 0.804(4) 0.2475(19) 0.020(11) Uiso 1 1 d . . .
H8B H 0.616(3) 0.733(4) 0.243(2) 0.031(13) Uiso 1 1 d . . .
H9B H 0.506(3) 0.598(4) 0.325(2) 0.021(12) Uiso 1 1 d . . .
H10B H 0.644(3) 0.476(4) 0.286(2) 0.025(12) Uiso 1 1 d . . .
H7B H 0.599(3) 0.501(4) 0.153(2) 0.029(12) Uiso 1 1 d . . .
H5B H 0.353(3) 0.556(4) 0.243(2) 0.041(15) 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
Rh2 C38 2.135(5) . ?
Rh2 C37 2.156(5) . ?
Rh2 B7 2.268(5) . ?
Rh2 S1 2.2755(12) . ?
Rh2 B6 2.309(5) . ?
Rh2 P1 2.3216(11) . ?
Rh2 B3 2.411(5) . ?
Rh2 B5 2.510(5) . ?
S1 B4 1.924(6) . ?
S1 B3 1.943(5) . ?
S1 B5 1.969(5) . ?
P1 C13 1.827(4) . ?
P1 C7 1.829(4) . ?
P1 C1 1.834(4) . ?
P2 C19 1.813(4) . ?
P2 C31 1.813(4) . ?
P2 C25 1.824(4) . ?
P2 B6 1.924(5) . ?
B4 B8 1.770(8) . ?
B4 B9 1.774(7) . ?
B4 B5 1.904(7) . ?
B4 B3 1.923(8) . ?
B3 B8 1.780(7) . ?
B3 B7 1.797(7) . ?
B8 B10 1.708(7) . ?
B8 B9 1.822(8) . ?
B8 B7 1.830(8) . ?
B9 B10 1.685(7) . ?
B9 B5 1.783(7) . ?
B9 B6 1.833(7) . ?
B10 B6 1.685(7) . ?
B10 B7 1.712(7) . ?
B7 B6 1.904(7) . ?
B6 B5 1.770(7) . ?
C1 C6 1.387(6) . ?
C1 C2 1.390(6) . ?
C2 C3 1.390(6) . ?
C3 C4 1.365(6) . ?
C4 C5 1.375(6) . ?
C5 C6 1.385(6) . ?
C7 C12 1.394(6) . ?
C7 C8 1.395(6) . ?
C8 C9 1.377(6) . ?
C9 C10 1.400(6) . ?
C10 C11 1.372(6) . ?
C11 C12 1.381(6) . ?
C13 C14 1.391(6) . ?
C13 C18 1.393(6) . ?
C14 C15 1.378(6) . ?
C15 C16 1.387(6) . ?
C16 C17 1.359(6) . ?
C17 C18 1.384(6) . ?
C19 C24 1.396(6) . ?
C19 C20 1.399(6) . ?
C20 C21 1.387(6) . ?
C21 C22 1.379(7) . ?
C22 C23 1.383(6) . ?
C23 C24 1.379(6) . ?
C25 C30 1.382(6) . ?
C25 C26 1.389(6) . ?
C26 C27 1.382(6) . ?
C27 C28 1.382(7) . ?
C28 C29 1.364(7) . ?
C29 C30 1.394(6) . ?
C31 C32 1.379(6) . ?
C31 C36 1.402(6) . ?
C32 C33 1.392(6) . ?
C33 C34 1.394(6) . ?
C34 C35 1.363(6) . ?
C35 C36 1.386(6) . ?
C37 C38 1.390(7) . ?

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
C38 Rh2 C37 37.80(18) . . ?
C38 Rh2 B7 86.4(2) . . ?
C37 Rh2 B7 88.32(19) . . ?
C38 Rh2 S1 143.51(15) . . ?
C37 Rh2 S1 175.90(14) . . ?
B7 Rh2 S1 87.96(14) . . ?
C38 Rh2 B6 116.09(18) . . ?
C37 Rh2 B6 90.23(17) . . ?
B7 Rh2 B6 49.16(18) . . ?
S1 Rh2 B6 86.03(12) . . ?
C38 Rh2 P1 87.36(14) . . ?
C37 Rh2 P1 92.61(14) . . ?
B7 Rh2 P1 168.57(13) . . ?
S1 Rh2 P1 91.38(4) . . ?
B6 Rh2 P1 142.18(13) . . ?
C38 Rh2 B3 106.2(2) . . ?
C37 Rh2 B3 128.39(19) . . ?
B7 Rh2 B3 45.06(17) . . ?
S1 Rh2 B3 48.89(13) . . ?
B6 Rh2 B3 75.43(17) . . ?
P1 Rh2 B3 128.52(12) . . ?
C38 Rh2 B5 158.54(18) . . ?
C37 Rh2 B5 128.86(18) . . ?
B7 Rh2 B5 75.19(18) . . ?
S1 Rh2 B5 48.28(12) . . ?
B6 Rh2 B5 42.86(17) . . ?
P1 Rh2 B5 112.58(13) . . ?
B3 Rh2 B5 68.21(18) . . ?
B4 S1 B3 59.7(2) . . ?
B4 S1 B5 58.6(2) . . ?
B3 S1 B5 89.8(2) . . ?
B4 S1 Rh2 105.68(17) . . ?
B3 S1 Rh2 69.18(16) . . ?
B5 S1 Rh2 72.10(15) . . ?
C13 P1 C7 103.09(19) . . ?
C13 P1 C1 101.87(19) . . ?
C7 P1 C1 101.60(19) . . ?
C13 P1 Rh2 112.76(14) . . ?
C7 P1 Rh2 116.22(14) . . ?
C1 P1 Rh2 119.09(14) . . ?
C19 P2 C31 104.7(2) . . ?
C19 P2 C25 106.7(2) . . ?
C31 P2 C25 104.71(19) . . ?
C19 P2 B6 115.5(2) . . ?
C31 P2 B6 116.4(2) . . ?
C25 P2 B6 107.9(2) . . ?
B8 B4 B9 61.9(3) . . ?
B8 B4 B5 101.7(4) . . ?
B9 B4 B5 57.9(3) . . ?
B8 B4 B3 57.5(3) . . ?
B9 B4 B3 102.1(4) . . ?
B5 B4 B3 92.3(3) . . ?
B8 B4 S1 114.7(3) . . ?
B9 B4 S1 116.1(3) . . ?
B5 B4 S1 61.9(2) . . ?
B3 B4 S1 60.7(2) . . ?
B8 B3 B7 61.5(3) . . ?
B8 B3 B4 56.9(3) . . ?
B7 B3 B4 100.7(3) . . ?
B8 B3 S1 113.3(3) . . ?
B7 B3 S1 115.0(3) . . ?
B4 B3 S1 59.7(2) . . ?
B8 B3 Rh2 112.5(3) . . ?
B7 B3 Rh2 63.3(2) . . ?
B4 B3 Rh2 100.8(3) . . ?
S1 B3 Rh2 61.92(14) . . ?
B10 B8 B4 112.0(4) . . ?
B10 B8 B3 113.2(4) . . ?
B4 B8 B3 65.6(3) . . ?
B10 B8 B9 56.9(3) . . ?
B4 B8 B9 59.2(3) . . ?
B3 B8 B9 106.0(4) . . ?
B10 B8 B7 57.7(3) . . ?
B4 B8 B7 105.5(4) . . ?
B3 B8 B7 59.7(3) . . ?
B9 B8 B7 92.2(3) . . ?
B10 B9 B4 112.9(4) . . ?
B10 B9 B5 112.2(4) . . ?
B4 B9 B5 64.7(3) . . ?
B10 B9 B8 58.1(3) . . ?
B4 B9 B8 58.9(3) . . ?
B5 B9 B8 104.5(4) . . ?
B10 B9 B6 57.0(3) . . ?
B4 B9 B6 103.4(3) . . ?
B5 B9 B6 58.6(3) . . ?
B8 B9 B6 90.4(3) . . ?
B6 B10 B9 65.9(3) . . ?
B6 B10 B8 99.7(4) . . ?
B9 B10 B8 64.9(3) . . ?
B6 B10 B7 68.2(3) . . ?
B9 B10 B7 101.5(4) . . ?
B8 B10 B7 64.7(3) . . ?
B10 B7 B3 112.2(4) . . ?
B10 B7 B8 57.5(3) . . ?
B3 B7 B8 58.8(3) . . ?
B10 B7 B6 55.2(3) . . ?
B3 B7 B6 102.5(3) . . ?
B8 B7 B6 87.9(3) . . ?
B10 B7 Rh2 121.3(3) . . ?
B3 B7 Rh2 71.7(2) . . ?
B8 B7 Rh2 117.0(3) . . ?
B6 B7 Rh2 66.5(2) . . ?
B10 B6 B5 112.9(4) . . ?
B10 B6 B9 57.1(3) . . ?
B5 B6 B9 59.3(3) . . ?
B10 B6 B7 56.6(3) . . ?
B5 B6 B7 105.2(3) . . ?
B9 B6 B7 89.5(3) . . ?
B10 B6 P2 110.5(3) . . ?
B5 B6 P2 118.3(3) . . ?
B9 B6 P2 120.7(3) . . ?
B7 B6 P2 135.3(3) . . ?
B10 B6 Rh2 120.4(3) . . ?
B5 B6 Rh2 74.6(2) . . ?
B9 B6 Rh2 118.3(3) . . ?
B7 B6 Rh2 64.3(2) . . ?
P2 B6 Rh2 116.3(2) . . ?
B6 B5 B9 62.1(3) . . ?
B6 B5 B4 100.7(3) . . ?
B9 B5 B4 57.4(3) . . ?
B6 B5 S1 113.4(3) . . ?
B9 B5 S1 113.5(3) . . ?
B4 B5 S1 59.5(2) . . ?
B6 B5 Rh2 62.5(2) . . ?
B9 B5 Rh2 111.1(3) . . ?
B4 B5 Rh2 97.9(3) . . ?
S1 B5 Rh2 59.62(13) . . ?
C6 C1 C2 118.5(4) . . ?
C6 C1 P1 122.1(3) . . ?
C2 C1 P1 119.3(3) . . ?
C1 C2 C3 120.5(4) . . ?
C4 C3 C2 120.4(4) . . ?
C3 C4 C5 119.5(4) . . ?
C4 C5 C6 120.9(4) . . ?
C5 C6 C1 120.1(4) . . ?
C12 C7 C8 118.6(4) . . ?
C12 C7 P1 122.3(3) . . ?
C8 C7 P1 118.8(3) . . ?
C9 C8 C7 121.1(4) . . ?
C8 C9 C10 119.7(4) . . ?
C11 C10 C9 119.2(4) . . ?
C10 C11 C12 121.3(4) . . ?
C11 C12 C7 120.0(4) . . ?
C14 C13 C18 117.5(4) . . ?
C14 C13 P1 119.7(3) . . ?
C18 C13 P1 122.8(3) . . ?
C15 C14 C13 121.4(4) . . ?
C14 C15 C16 119.8(5) . . ?
C17 C16 C15 119.8(4) . . ?
C16 C17 C18 120.5(4) . . ?
C17 C18 C13 120.9(4) . . ?
C24 C19 C20 118.7(4) . . ?
C24 C19 P2 118.7(3) . . ?
C20 C19 P2 122.6(3) . . ?
C21 C20 C19 119.6(4) . . ?
C22 C21 C20 120.8(4) . . ?
C21 C22 C23 120.1(4) . . ?
C24 C23 C22 119.6(4) . . ?
C23 C24 C19 121.1(4) . . ?
C30 C25 C26 119.3(4) . . ?
C30 C25 P2 123.4(3) . . ?
C26 C25 P2 117.2(3) . . ?
C27 C26 C25 120.1(5) . . ?
C26 C27 C28 119.8(5) . . ?
C29 C28 C27 120.9(5) . . ?
C28 C29 C30 119.4(5) . . ?
C25 C30 C29 120.5(5) . . ?
C32 C31 C36 119.8(4) . . ?
C32 C31 P2 117.9(3) . . ?
C36 C31 P2 122.2(3) . . ?
C31 C32 C33 120.2(4) . . ?
C32 C33 C34 119.8(4) . . ?
C35 C34 C33 119.7(4) . . ?
C34 C35 C36 121.5(4) . . ?
C35 C36 C31 119.0(4) . . ?
C38 C37 Rh2 70.3(3) . . ?
C37 C38 Rh2 71.9(3) . . ?

_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.989
_refine_diff_density_max         0.584
_refine_diff_density_min         -0.618
_refine_diff_density_rms         0.097


# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.000 1.000 112 48 ' '
2 1.000 0.500 0.500 112 48 ' '
_platon_squeeze_details          
;
;

####################################################################### 
# 
# 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_fjl251a
_database_code_depnum_ccdc_archive 'CCDC 1030707'
_audit_update_record             
;
2014-10-23 deposited with the CCDC.
2015-01-07 downloaded from the CCDC.
;


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
'[2,2,2-(H)2(PPh3)-6-(PPh3)-closo-2,1-RhSB8H7] (3)'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C36 H39 B8 P2 Rh S'
_chemical_formula_sum            'C36 H39 B8 P2 Rh S'
_chemical_formula_weight         755.12

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0020 '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 0.0010 0.0010 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1020 0.0940 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1250 0.1230 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1180 0.9190 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'


loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.140(2)
_cell_length_b                   11.537(2)
_cell_length_c                   16.129(3)
_cell_angle_alpha                84.356(2)
_cell_angle_beta                 76.622(2)
_cell_angle_gamma                65.160(2)
_cell_volume                     1830.1(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5459
_cell_measurement_theta_min      2.18
_cell_measurement_theta_max      28.04

_exptl_crystal_description       Block
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.176
_exptl_crystal_size_mid          0.121
_exptl_crystal_size_min          0.111
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.370
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             772
_exptl_absorpt_coefficient_mu    0.637
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8422
_exptl_absorpt_correction_T_max  0.9373
_exptl_absorpt_process_details   
;
 Multi-scan correction included in APEX2 package (Bruker AXS, 2008)

;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_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 APEX system'
_diffrn_measurement_method       'ω rotations with narrow frames'
_diffrn_detector_area_resol_mean 8.26
_diffrn_standards_decay_%        'no decay'
_diffrn_reflns_number            19474
_diffrn_reflns_av_R_equivalents  0.0561
_diffrn_reflns_av_sigmaI/netI    0.0754
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.30
_diffrn_reflns_theta_max         26.37
_reflns_number_total             7405
_reflns_number_gt                6084
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 v. 2009.7 (Bruker AXS, 2008)'
_computing_cell_refinement       'APEX2 v. 2009.7 (Bruker AXS, 2008)'
_computing_data_reduction        'APEX2 v. 2009.7 (Bruker AXS, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ORTEP
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_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.

 The structure was solved by Patterson methods and anisotropic refinement
 of all non hydrogen atoms was applied. 
 The asymmetric unit contains a rhodathiaborane molecule. Hydrogen atoms
 have been observed in Fourier difference maps and freely refined except the
 hydrogen H18 which has been refined with displacement riding parameters.

Residual electron density peaks are observed around the metal atom and they
have no chemical sense.

;

_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)+(0.0001P)²+5.5046P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7405
_refine_ls_number_parameters     588
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0832
_refine_ls_R_factor_gt           0.0634
_refine_ls_wR_factor_ref         0.1047
_refine_ls_wR_factor_gt          0.0988
_refine_ls_goodness_of_fit_ref   1.159
_refine_ls_restrained_S_all      1.159
_refine_ls_shift/su_max          0.000
_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
H H 0.011(4) 0.003(4) 0.295(3) 0.016(12) Uiso 1 1 d . . .
H111 H 0.056(5) 0.092(5) 0.187(3) 0.024(14) Uiso 1 1 d . . .
Rh2 Rh 0.12069(4) 0.03888(4) 0.25529(3) 0.01525(10) Uani 1 1 d . . .
P1 P -0.14064(12) 0.34100(11) 0.28660(8) 0.0158(3) Uani 1 1 d . . .
P2 P 0.16658(12) -0.14594(11) 0.19287(8) 0.0150(3) Uani 1 1 d . . .
S1 S 0.24678(13) -0.02484(12) 0.36251(8) 0.0238(3) Uani 1 1 d . . .
H10B H 0.136(5) 0.413(5) 0.226(3) 0.027(14) Uiso 1 1 d . . .
B3 B 0.0896(6) 0.1437(5) 0.3838(4) 0.0218(12) Uani 1 1 d . . .
H3B H 0.020(5) 0.143(4) 0.444(3) 0.019(13) Uiso 1 1 d . . .
B8 B 0.2976(6) 0.2180(6) 0.2835(4) 0.0209(12) Uani 1 1 d . . .
H8B H 0.382(5) 0.246(4) 0.277(3) 0.021(13) Uiso 1 1 d . . .
B4 B 0.2727(6) 0.1274(6) 0.3768(4) 0.0231(13) Uani 1 1 d . . .
H4B H 0.324(5) 0.115(5) 0.427(3) 0.035(16) Uiso 1 1 d . . .
B5 B 0.3298(5) 0.0536(6) 0.2633(4) 0.0237(13) Uani 1 1 d . . .
B6 B 0.0497(5) 0.2448(5) 0.2905(3) 0.0165(11) Uani 1 1 d . . .
B7 B 0.1384(5) 0.2779(5) 0.3636(4) 0.0193(12) Uani 1 1 d . . .
H7B H 0.101(5) 0.350(5) 0.418(3) 0.036(16) Uiso 1 1 d . . .
H5B H 0.435(5) -0.009(5) 0.235(3) 0.027(14) Uiso 1 1 d . . .
B9 B 0.2171(6) 0.1795(6) 0.2072(4) 0.0218(12) Uani 1 1 d . . .
H9B H 0.245(5) 0.182(4) 0.137(3) 0.022(13) Uiso 1 1 d . . .
B10 B 0.1499(5) 0.3240(6) 0.2579(4) 0.0209(12) Uani 1 1 d . . .
C1 C -0.1658(4) 0.4094(4) 0.1814(3) 0.0161(10) Uani 1 1 d . . .
C2 C -0.0673(5) 0.3601(5) 0.1072(3) 0.0234(11) Uani 1 1 d . . .
H2 H 0.009(5) 0.296(5) 0.111(3) 0.022(14) Uiso 1 1 d . . .
C3 C -0.0896(5) 0.4137(5) 0.0277(3) 0.0232(11) Uani 1 1 d . . .
H3 H -0.017(5) 0.376(4) -0.022(3) 0.017(13) Uiso 1 1 d . . .
C4 C -0.2107(5) 0.5187(5) 0.0216(3) 0.0240(11) Uani 1 1 d . . .
H4 H -0.221(5) 0.556(5) -0.031(3) 0.020(13) Uiso 1 1 d . . .
C5 C -0.3090(5) 0.5675(5) 0.0947(3) 0.0236(11) Uani 1 1 d . . .
H5 H -0.385(7) 0.631(6) 0.092(4) 0.06(2) Uiso 1 1 d . . .
C6 C -0.2875(5) 0.5148(4) 0.1746(3) 0.0192(10) Uani 1 1 d . . .
H6 H -0.357(5) 0.553(4) 0.228(3) 0.014(12) Uiso 1 1 d . . .
C7 C -0.2292(5) 0.4788(4) 0.3579(3) 0.0177(10) Uani 1 1 d . . .
C8 C -0.3687(5) 0.5210(5) 0.3921(3) 0.0223(11) Uani 1 1 d . . .
H8 H -0.415(5) 0.470(5) 0.385(3) 0.023(14) Uiso 1 1 d . . .
C9 C -0.4409(5) 0.6385(5) 0.4343(3) 0.0270(12) Uani 1 1 d . . .
H9 H -0.536(5) 0.664(5) 0.454(3) 0.028(14) Uiso 1 1 d . . .
C10 C -0.3736(5) 0.7136(5) 0.4441(3) 0.0267(12) Uani 1 1 d . . .
H10 H -0.423(5) 0.797(5) 0.474(3) 0.032(15) Uiso 1 1 d . . .
C11 C -0.2352(5) 0.6719(5) 0.4123(3) 0.0245(11) Uani 1 1 d . . .
H11 H -0.190(5) 0.724(5) 0.419(3) 0.021(14) Uiso 1 1 d . . .
C12 C -0.1629(5) 0.5554(5) 0.3684(3) 0.0212(11) Uani 1 1 d . . .
H12 H -0.067(5) 0.525(4) 0.347(3) 0.014(12) Uiso 1 1 d . . .
C13 C -0.2350(4) 0.2422(4) 0.3128(3) 0.0172(10) Uani 1 1 d . . .
C14 C -0.2539(5) 0.1926(5) 0.3955(3) 0.0213(11) Uani 1 1 d . . .
H14 H -0.233(5) 0.219(5) 0.440(3) 0.030(15) Uiso 1 1 d . . .
C15 C -0.3068(5) 0.1010(5) 0.4138(3) 0.0259(12) Uani 1 1 d . . .
H15 H -0.315(5) 0.063(5) 0.470(3) 0.027(14) Uiso 1 1 d . . .
C16 C -0.3434(5) 0.0596(5) 0.3490(4) 0.0267(12) Uani 1 1 d . . .
H16 H -0.375(5) -0.002(5) 0.364(3) 0.027(15) Uiso 1 1 d . . .
C17 C -0.3288(5) 0.1086(5) 0.2673(3) 0.0240(11) Uani 1 1 d . . .
H17 H -0.353(5) 0.074(5) 0.222(3) 0.028(15) Uiso 1 1 d . . .
C18 C -0.2743(5) 0.1997(5) 0.2488(3) 0.0193(10) Uani 1 1 d . . .
H18 H -0.267(5) 0.234(5) 0.191(3) 0.023 Uiso 1 1 d . . .
C19 C 0.0212(4) -0.1562(4) 0.1626(3) 0.0179(10) Uani 1 1 d . . .
C20 C -0.0312(5) -0.2451(5) 0.1974(3) 0.0203(10) Uani 1 1 d . . .
H20 H 0.006(5) -0.304(5) 0.240(3) 0.029(15) Uiso 1 1 d . . .
C21 C -0.1440(5) -0.2459(5) 0.1731(3) 0.0259(12) Uani 1 1 d . . .
H21 H -0.183(5) -0.298(5) 0.200(3) 0.020(14) Uiso 1 1 d . . .
C22 C -0.2039(5) -0.1601(5) 0.1132(3) 0.0263(12) Uani 1 1 d . . .
H22 H -0.278(5) -0.158(5) 0.096(3) 0.030(15) Uiso 1 1 d . . .
C23 C -0.1525(5) -0.0709(5) 0.0776(3) 0.0246(11) Uani 1 1 d . . .
H23 H -0.184(5) -0.017(5) 0.036(3) 0.034(16) Uiso 1 1 d . . .
C24 C -0.0412(5) -0.0690(5) 0.1026(3) 0.0215(11) Uani 1 1 d . . .
H24 H -0.011(5) -0.010(4) 0.086(3) 0.011(12) Uiso 1 1 d . . .
C25 C 0.2934(4) -0.1859(4) 0.0918(3) 0.0157(10) Uani 1 1 d . . .
C26 C 0.3801(5) -0.1239(5) 0.0687(3) 0.0198(10) Uani 1 1 d . . .
H26 H 0.375(5) -0.061(5) 0.108(3) 0.021(13) Uiso 1 1 d . . .
C27 C 0.4760(5) -0.1539(5) -0.0084(3) 0.0232(11) Uani 1 1 d . . .
H27 H 0.537(5) -0.112(5) -0.027(3) 0.022(14) Uiso 1 1 d . . .
C28 C 0.4867(5) -0.2465(5) -0.0630(3) 0.0237(11) Uani 1 1 d . . .
H28 H 0.546(5) -0.263(5) -0.116(3) 0.023(14) Uiso 1 1 d . . .
C29 C 0.4011(5) -0.3104(5) -0.0394(3) 0.0266(12) Uani 1 1 d . . .
H29 H 0.417(5) -0.380(5) -0.078(3) 0.030(15) Uiso 1 1 d . . .
C30 C 0.3048(5) -0.2800(5) 0.0371(3) 0.0227(11) Uani 1 1 d . . .
H30 H 0.249(5) -0.321(4) 0.055(3) 0.014(12) Uiso 1 1 d . . .
C31 C 0.2259(5) -0.2864(4) 0.2623(3) 0.0184(10) Uani 1 1 d . . .
C32 C 0.1524(6) -0.2790(5) 0.3470(3) 0.0267(12) Uani 1 1 d . . .
H32 H 0.077(6) -0.203(5) 0.362(4) 0.037(17) Uiso 1 1 d . . .
C33 C 0.1888(7) -0.3843(6) 0.4003(4) 0.0346(14) Uani 1 1 d . . .
H33 H 0.139(6) -0.378(6) 0.455(4) 0.042(18) Uiso 1 1 d . . .
C34 C 0.3000(6) -0.4968(6) 0.3719(4) 0.0365(15) Uani 1 1 d . . .
H34 H 0.330(5) -0.571(5) 0.409(3) 0.034(16) Uiso 1 1 d . . .
C35 C 0.3753(6) -0.5033(5) 0.2893(4) 0.0336(14) Uani 1 1 d . . .
H35 H 0.458(5) -0.582(5) 0.274(3) 0.027(14) Uiso 1 1 d . . .
C36 C 0.3387(5) -0.3987(5) 0.2340(4) 0.0221(11) Uani 1 1 d . . .
H36 H 0.389(5) -0.402(5) 0.180(3) 0.025(15) 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
Rh2 B6 2.252(5) . ?
Rh2 P2 2.2561(13) . ?
Rh2 B9 2.284(6) . ?
Rh2 S1 2.3473(13) . ?
Rh2 B3 2.384(6) . ?
Rh2 B5 2.439(5) . ?
Rh2 H 1.44(4) . ?
Rh2 H111 1.41(5) . ?
P1 C13 1.814(5) . ?
P1 C7 1.827(5) . ?
P1 C1 1.830(5) . ?
P1 B6 1.950(5) . ?
P2 C25 1.844(5) . ?
P2 C31 1.844(5) . ?
P2 C19 1.847(5) . ?
S1 B4 1.939(6) . ?
S1 B3 1.989(6) . ?
S1 B5 1.992(6) . ?
B3 B7 1.823(8) . ?
B3 B6 1.830(8) . ?
B3 B4 1.945(8) . ?
B3 H3B 1.09(5) . ?
B8 B10 1.703(8) . ?
B8 B4 1.781(8) . ?
B8 B5 1.824(8) . ?
B8 B7 1.838(8) . ?
B8 B9 1.864(8) . ?
B8 H8B 1.09(5) . ?
B4 B7 1.786(8) . ?
B4 B5 1.946(8) . ?
B4 H4B 1.06(5) . ?
B5 B9 1.800(8) . ?
B5 H5B 1.10(5) . ?
B6 B10 1.688(8) . ?
B6 B7 1.859(7) . ?
B6 B9 1.926(8) . ?
B7 B10 1.727(8) . ?
B7 H7B 1.15(5) . ?
B9 B10 1.717(8) . ?
B9 H9B 1.10(5) . ?
B10 H10B 1.07(5) . ?
C1 C2 1.402(7) . ?
C1 C6 1.409(6) . ?
C2 C3 1.396(7) . ?
C2 H2 0.87(5) . ?
C3 C4 1.401(7) . ?
C3 H3 0.98(5) . ?
C4 C5 1.386(7) . ?
C4 H4 0.92(5) . ?
C5 C6 1.398(7) . ?
C5 H5 0.86(6) . ?
C6 H6 1.01(4) . ?
C7 C8 1.406(6) . ?
C7 C12 1.411(7) . ?
C8 C9 1.400(7) . ?
C8 H8 0.96(5) . ?
C9 C10 1.402(7) . ?
C9 H9 0.96(5) . ?
C10 C11 1.389(7) . ?
C10 H10 0.99(5) . ?
C11 C12 1.404(7) . ?
C11 H11 0.96(5) . ?
C12 H12 0.96(5) . ?
C13 C14 1.404(7) . ?
C13 C18 1.410(6) . ?
C14 C15 1.391(7) . ?
C14 H14 0.92(5) . ?
C15 C16 1.395(7) . ?
C15 H15 0.97(5) . ?
C16 C17 1.383(7) . ?
C16 H16 0.91(5) . ?
C17 C18 1.398(7) . ?
C17 H17 1.01(5) . ?
C18 H18 0.97(5) . ?
C19 C20 1.395(7) . ?
C19 C24 1.402(7) . ?
C20 C21 1.404(7) . ?
C20 H20 0.96(5) . ?
C21 C22 1.384(7) . ?
C21 H21 0.91(5) . ?
C22 C23 1.394(7) . ?
C22 H22 0.92(5) . ?
C23 C24 1.398(7) . ?
C23 H23 0.90(5) . ?
C24 H24 0.87(5) . ?
C25 C26 1.395(6) . ?
C25 C30 1.412(7) . ?
C26 C27 1.402(7) . ?
C26 H26 0.98(5) . ?
C27 C28 1.400(7) . ?
C27 H27 0.97(5) . ?
C28 C29 1.402(7) . ?
C28 H28 0.94(5) . ?
C29 C30 1.397(7) . ?
C29 H29 1.00(5) . ?
C30 H30 0.91(5) . ?
C31 C36 1.396(7) . ?
C31 C32 1.412(7) . ?
C32 C33 1.386(7) . ?
C32 H32 0.93(5) . ?
C33 C34 1.390(9) . ?
C33 H33 0.91(6) . ?
C34 C35 1.390(9) . ?
C34 H34 0.97(5) . ?
C35 C36 1.401(7) . ?
C35 H35 0.99(5) . ?
C36 H36 0.92(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
B6 Rh2 P2 165.85(13) . . ?
B6 Rh2 B9 50.3(2) . . ?
P2 Rh2 B9 126.73(16) . . ?
B6 Rh2 S1 89.98(13) . . ?
P2 Rh2 S1 104.03(5) . . ?
B9 Rh2 S1 88.84(15) . . ?
B6 Rh2 B3 46.38(19) . . ?
P2 Rh2 B3 146.79(14) . . ?
B9 Rh2 B3 78.3(2) . . ?
S1 Rh2 B3 49.71(14) . . ?
B6 Rh2 B5 77.10(19) . . ?
P2 Rh2 B5 110.47(14) . . ?
B9 Rh2 B5 44.7(2) . . ?
S1 Rh2 B5 49.14(15) . . ?
B3 Rh2 B5 70.0(2) . . ?
B6 Rh2 H 105.9(18) . . ?
P2 Rh2 H 74.1(18) . . ?
B9 Rh2 H 155.0(18) . . ?
S1 Rh2 H 99.7(17) . . ?
B3 Rh2 H 89.3(18) . . ?
B5 Rh2 H 148.8(17) . . ?
B6 Rh2 H111 83.5(19) . . ?
P2 Rh2 H111 82.3(19) . . ?
B9 Rh2 H111 81.0(19) . . ?
S1 Rh2 H111 170(2) . . ?
B3 Rh2 H111 127.0(19) . . ?
B5 Rh2 H111 121.4(19) . . ?
H Rh2 H111 90(3) . . ?
C13 P1 C7 106.8(2) . . ?
C13 P1 C1 106.3(2) . . ?
C7 P1 C1 103.8(2) . . ?
C13 P1 B6 112.0(2) . . ?
C7 P1 B6 114.4(2) . . ?
C1 P1 B6 112.9(2) . . ?
C25 P2 C31 105.5(2) . . ?
C25 P2 C19 101.9(2) . . ?
C31 P2 C19 103.3(2) . . ?
C25 P2 Rh2 116.36(15) . . ?
C31 P2 Rh2 113.05(15) . . ?
C19 P2 Rh2 115.21(15) . . ?
B4 S1 B3 59.4(2) . . ?
B4 S1 B5 59.3(2) . . ?
B3 S1 B5 88.1(2) . . ?
B4 S1 Rh2 101.82(18) . . ?
B3 S1 Rh2 66.11(17) . . ?
B5 S1 Rh2 67.82(16) . . ?
B7 B3 B6 61.2(3) . . ?
B7 B3 B4 56.5(3) . . ?
B6 B3 B4 99.8(4) . . ?
B7 B3 S1 113.0(3) . . ?
B6 B3 S1 116.7(4) . . ?
B4 B3 S1 59.0(2) . . ?
B7 B3 Rh2 111.9(3) . . ?
B6 B3 Rh2 63.0(2) . . ?
B4 B3 Rh2 100.3(3) . . ?
S1 B3 Rh2 64.17(17) . . ?
B7 B3 H3B 118(3) . . ?
B6 B3 H3B 127(2) . . ?
B4 B3 H3B 124(2) . . ?
S1 B3 H3B 111(2) . . ?
Rh2 B3 H3B 126(3) . . ?
B10 B8 B4 113.0(4) . . ?
B10 B8 B5 111.8(4) . . ?
B4 B8 B5 65.3(3) . . ?
B10 B8 B7 58.3(3) . . ?
B4 B8 B7 59.1(3) . . ?
B5 B8 B7 105.1(4) . . ?
B10 B8 B9 57.3(3) . . ?
B4 B8 B9 105.1(4) . . ?
B5 B8 B9 58.4(3) . . ?
B7 B8 B9 92.3(3) . . ?
B10 B8 H8B 120(2) . . ?
B4 B8 H8B 114(2) . . ?
B5 B8 H8B 120(2) . . ?
B7 B8 H8B 126(3) . . ?
B9 B8 H8B 135(3) . . ?
B8 B4 B7 62.0(3) . . ?
B8 B4 S1 117.2(4) . . ?
B7 B4 S1 117.2(3) . . ?
B8 B4 B3 101.8(4) . . ?
B7 B4 B3 58.3(3) . . ?
S1 B4 B3 61.6(2) . . ?
B8 B4 B5 58.4(3) . . ?
B7 B4 B5 102.2(4) . . ?
S1 B4 B5 61.7(3) . . ?
B3 B4 B5 90.7(3) . . ?
B8 B4 H4B 123(3) . . ?
B7 B4 H4B 120(3) . . ?
S1 B4 H4B 110(3) . . ?
B3 B4 H4B 128(3) . . ?
B5 B4 H4B 133(3) . . ?
B9 B5 B8 61.9(3) . . ?
B9 B5 B4 101.1(4) . . ?
B8 B5 B4 56.3(3) . . ?
B9 B5 S1 117.4(3) . . ?
B8 B5 S1 112.6(4) . . ?
B4 B5 S1 59.0(3) . . ?
B9 B5 Rh2 63.1(2) . . ?
B8 B5 Rh2 110.5(3) . . ?
B4 B5 Rh2 98.5(3) . . ?
S1 B5 Rh2 63.04(16) . . ?
B9 B5 H5B 125(3) . . ?
B8 B5 H5B 116(3) . . ?
B4 B5 H5B 123(3) . . ?
S1 B5 H5B 113(3) . . ?
Rh2 B5 H5B 130(3) . . ?
B10 B6 B3 113.0(4) . . ?
B10 B6 B7 58.0(3) . . ?
B3 B6 B7 59.2(3) . . ?
B10 B6 B9 56.3(3) . . ?
B3 B6 B9 103.4(3) . . ?
B7 B6 B9 89.7(3) . . ?
B10 B6 P1 115.8(3) . . ?
B3 B6 P1 117.7(3) . . ?
B7 B6 P1 125.3(3) . . ?
B9 B6 P1 135.4(3) . . ?
B10 B6 Rh2 121.2(3) . . ?
B3 B6 Rh2 70.6(2) . . ?
B7 B6 Rh2 116.5(3) . . ?
B9 B6 Rh2 65.7(2) . . ?
P1 B6 Rh2 111.0(2) . . ?
B10 B7 B4 111.6(4) . . ?
B10 B7 B3 111.5(4) . . ?
B4 B7 B3 65.2(3) . . ?
B10 B7 B8 57.0(3) . . ?
B4 B7 B8 58.9(3) . . ?
B3 B7 B8 104.5(4) . . ?
B10 B7 B6 56.0(3) . . ?
B4 B7 B6 104.8(4) . . ?
B3 B7 B6 59.6(3) . . ?
B8 B7 B6 90.4(3) . . ?
B10 B7 H7B 122(3) . . ?
B4 B7 H7B 116(3) . . ?
B3 B7 H7B 117(3) . . ?
B8 B7 H7B 131(3) . . ?
B6 B7 H7B 132(3) . . ?
B10 B9 B5 112.3(4) . . ?
B10 B9 B8 56.6(3) . . ?
B5 B9 B8 59.7(3) . . ?
B10 B9 B6 54.8(3) . . ?
B5 B9 B6 103.5(4) . . ?
B8 B9 B6 87.6(3) . . ?
B10 B9 Rh2 118.2(4) . . ?
B5 B9 Rh2 72.2(3) . . ?
B8 B9 Rh2 115.7(3) . . ?
B6 B9 Rh2 64.0(2) . . ?
B10 B9 H9B 116(3) . . ?
B5 B9 H9B 119(2) . . ?
B8 B9 H9B 126(3) . . ?
B6 B9 H9B 135(2) . . ?
Rh2 B9 H9B 113(3) . . ?
B6 B10 B8 101.4(4) . . ?
B6 B10 B9 68.9(3) . . ?
B8 B10 B9 66.0(3) . . ?
B6 B10 B7 65.9(3) . . ?
B8 B10 B7 64.8(3) . . ?
B9 B10 B7 101.6(4) . . ?
B6 B10 H10B 134(3) . . ?
B8 B10 H10B 125(3) . . ?
B9 B10 H10B 124(3) . . ?
B7 B10 H10B 133(3) . . ?
C2 C1 C6 118.8(4) . . ?
C2 C1 P1 121.9(4) . . ?
C6 C1 P1 119.3(4) . . ?
C3 C2 C1 120.6(5) . . ?
C3 C2 H2 120(3) . . ?
C1 C2 H2 120(3) . . ?
C2 C3 C4 120.1(5) . . ?
C2 C3 H3 118(3) . . ?
C4 C3 H3 122(3) . . ?
C5 C4 C3 119.6(5) . . ?
C5 C4 H4 122(3) . . ?
C3 C4 H4 119(3) . . ?
C4 C5 C6 120.8(5) . . ?
C4 C5 H5 121(5) . . ?
C6 C5 H5 118(5) . . ?
C5 C6 C1 120.1(5) . . ?
C5 C6 H6 121(3) . . ?
C1 C6 H6 119(3) . . ?
C8 C7 C12 118.9(4) . . ?
C8 C7 P1 120.5(4) . . ?
C12 C7 P1 119.8(4) . . ?
C9 C8 C7 120.3(5) . . ?
C9 C8 H8 120(3) . . ?
C7 C8 H8 120(3) . . ?
C8 C9 C10 120.0(5) . . ?
C8 C9 H9 116(3) . . ?
C10 C9 H9 123(3) . . ?
C11 C10 C9 120.3(5) . . ?
C11 C10 H10 118(3) . . ?
C9 C10 H10 122(3) . . ?
C10 C11 C12 119.9(5) . . ?
C10 C11 H11 120(3) . . ?
C12 C11 H11 120(3) . . ?
C11 C12 C7 120.5(5) . . ?
C11 C12 H12 120(3) . . ?
C7 C12 H12 119(3) . . ?
C14 C13 C18 118.6(4) . . ?
C14 C13 P1 120.0(4) . . ?
C18 C13 P1 120.9(4) . . ?
C15 C14 C13 121.0(5) . . ?
C15 C14 H14 117(3) . . ?
C13 C14 H14 122(3) . . ?
C14 C15 C16 119.2(5) . . ?
C14 C15 H15 121(3) . . ?
C16 C15 H15 119(3) . . ?
C17 C16 C15 121.2(5) . . ?
C17 C16 H16 123(3) . . ?
C15 C16 H16 116(3) . . ?
C16 C17 C18 119.5(5) . . ?
C16 C17 H17 119(3) . . ?
C18 C17 H17 122(3) . . ?
C17 C18 C13 120.5(5) . . ?
C17 C18 H18 118(3) . . ?
C13 C18 H18 122(3) . . ?
C20 C19 C24 118.2(4) . . ?
C20 C19 P2 123.4(4) . . ?
C24 C19 P2 118.5(4) . . ?
C19 C20 C21 120.5(5) . . ?
C19 C20 H20 121(3) . . ?
C21 C20 H20 119(3) . . ?
C22 C21 C20 120.8(5) . . ?
C22 C21 H21 118(3) . . ?
C20 C21 H21 121(3) . . ?
C21 C22 C23 119.4(5) . . ?
C21 C22 H22 123(3) . . ?
C23 C22 H22 118(3) . . ?
C22 C23 C24 119.9(5) . . ?
C22 C23 H23 123(4) . . ?
C24 C23 H23 117(4) . . ?
C23 C24 C19 121.3(5) . . ?
C23 C24 H24 122(3) . . ?
C19 C24 H24 116(3) . . ?
C26 C25 C30 119.1(4) . . ?
C26 C25 P2 120.3(4) . . ?
C30 C25 P2 120.6(4) . . ?
C25 C26 C27 120.2(5) . . ?
C25 C26 H26 119(3) . . ?
C27 C26 H26 121(3) . . ?
C28 C27 C26 120.8(5) . . ?
C28 C27 H27 117(3) . . ?
C26 C27 H27 122(3) . . ?
C27 C28 C29 119.3(5) . . ?
C27 C28 H28 122(3) . . ?
C29 C28 H28 119(3) . . ?
C30 C29 C28 120.1(5) . . ?
C30 C29 H29 123(3) . . ?
C28 C29 H29 117(3) . . ?
C29 C30 C25 120.6(5) . . ?
C29 C30 H30 123(3) . . ?
C25 C30 H30 117(3) . . ?
C36 C31 C32 119.4(5) . . ?
C36 C31 P2 122.7(4) . . ?
C32 C31 P2 118.0(4) . . ?
C33 C32 C31 120.1(5) . . ?
C33 C32 H32 124(4) . . ?
C31 C32 H32 115(4) . . ?
C32 C33 C34 120.6(6) . . ?
C32 C33 H33 119(4) . . ?
C34 C33 H33 121(4) . . ?
C33 C34 C35 119.5(5) . . ?
C33 C34 H34 122(3) . . ?
C35 C34 H34 118(3) . . ?
C34 C35 C36 120.7(5) . . ?
C34 C35 H35 117(3) . . ?
C36 C35 H35 123(3) . . ?
C31 C36 C35 119.6(5) . . ?
C31 C36 H36 119(3) . . ?
C35 C36 H36 121(3) . . ?

_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_theta_full        26.37
_diffrn_measured_fraction_theta_full 0.989
_refine_diff_density_max         1.021
_refine_diff_density_min         -1.100
_refine_diff_density_rms         0.109
