# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_3

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C37 H51 B9 Cl O P Rh2 S2'
_chemical_formula_weight         945.43

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'
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'
Cl Cl 0.1484 0.1585 '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)/n

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                   11.8553(8)
_cell_length_b                   22.2136(15)
_cell_length_c                   17.9969(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.097(2)
_cell_angle_gamma                90.00
_cell_volume                     4732.5(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    291(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.327
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1920
_exptl_absorpt_coefficient_mu    0.903
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.8125
_exptl_absorpt_correction_T_max  0.8544
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      291(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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            42547
_diffrn_reflns_av_R_equivalents  0.0211
_diffrn_reflns_av_sigmaI/netI    0.0864
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.46
_diffrn_reflns_theta_max         27.54
_reflns_number_total             10887
_reflns_number_gt                8254
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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. 
;
# SQUEEZE RESULTS
# 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 0.000 0.000 0.500 393 44 ' '
2 0.500 0.500 1.000 393 44 ' '

_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)+(0.0700P)²+1.7700P] 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         10887
_refine_ls_number_parameters     483
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0642
_refine_ls_R_factor_gt           0.0600
_refine_ls_wR_factor_ref         0.1482
_refine_ls_wR_factor_gt          0.1473
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      1.046
_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
B3 B 0.0894(5) -0.0181(2) 0.1676(3) 0.0324(12) Uani 1 1 d . . .
H3 H 0.0563 -0.0566 0.1981 0.039 Uiso 1 1 calc R . .
B4 B 0.2373(5) -0.0094(2) 0.1592(3) 0.0278(11) Uani 1 1 d . . .
H4 H 0.2990 -0.0401 0.1870 0.033 Uiso 1 1 calc R . .
B5 B 0.2510(4) 0.0200(2) 0.0645(3) 0.0236(10) Uani 1 1 d . . .
H5 H 0.2979 0.0079 0.0156 0.028 Uiso 1 1 calc R . .
B7 B 0.0353(4) 0.0836(2) 0.0779(3) 0.0264(11) Uani 1 1 d . . .
H7 H -0.0229 0.1027 0.0344 0.032 Uiso 1 1 calc R . .
B8 B 0.1867(4) 0.0974(2) 0.0651(2) 0.0197(9) Uani 1 1 d . . .
H8 H 0.1841 0.0634 0.0139 0.024 Uiso 1 1 d R . .
B9 B 0.2615(4) 0.0672(2) 0.1433(3) 0.0227(10) Uani 1 1 d . . .
B10 B 0.1631(4) 0.0440(2) 0.2103(3) 0.0252(10) Uani 1 1 d . . .
H10 H 0.1806 0.0490 0.2706 0.030 Uiso 1 1 calc R . .
B11 B 0.0247(5) 0.0536(2) 0.1687(3) 0.0293(11) Uani 1 1 d . . .
H11 H -0.0475 0.0622 0.2031 0.035 Uiso 1 1 calc R . .
B12 B 0.1264(4) 0.1067(2) 0.1507(3) 0.0236(10) Uani 1 1 d . . .
C1 C 0.1426(4) -0.02142(19) 0.0812(2) 0.0298(10) Uani 1 1 d . . .
H1 H 0.1358 -0.0489 0.0393 0.036 Uiso 1 1 d R . .
C2 C 0.0282(4) 0.0141(2) 0.0882(3) 0.0347(12) Uani 1 1 d . . .
H2 H -0.0335 -0.0131 0.0743 0.042 Uiso 1 1 d R . .
C13 C 0.3886(4) 0.1526(2) 0.3423(2) 0.0282(10) Uani 1 1 d . . .
C14 C 0.4744(4) 0.1927(2) 0.3209(3) 0.0352(12) Uani 1 1 d . . .
C15 C 0.4321(4) 0.2513(2) 0.3228(3) 0.0350(11) Uani 1 1 d . . .
C16 C 0.3146(4) 0.2503(2) 0.3410(3) 0.0326(11) Uani 1 1 d . . .
C17 C 0.2881(4) 0.18836(17) 0.3546(2) 0.0226(9) Uani 1 1 d . . .
C18 C 0.4010(5) 0.0866(2) 0.3547(3) 0.0437(14) Uani 1 1 d . . .
H18A H 0.4222 0.0791 0.4061 0.065 Uiso 1 1 calc R . .
H18B H 0.4584 0.0712 0.3241 0.065 Uiso 1 1 calc R . .
H18C H 0.3305 0.0670 0.3418 0.065 Uiso 1 1 calc R . .
C19 C 0.5958(5) 0.1754(3) 0.3043(4) 0.0502(15) Uani 1 1 d . . .
H19A H 0.6263 0.2052 0.2723 0.075 Uiso 1 1 calc R . .
H19B H 0.5957 0.1369 0.2801 0.075 Uiso 1 1 calc R . .
H19C H 0.6412 0.1734 0.3500 0.075 Uiso 1 1 calc R . .
C20 C 0.4924(6) 0.3091(2) 0.3039(4) 0.0509(16) Uani 1 1 d . . .
H20A H 0.4463 0.3317 0.2684 0.076 Uiso 1 1 calc R . .
H20B H 0.5631 0.2996 0.2831 0.076 Uiso 1 1 calc R . .
H20C H 0.5060 0.3326 0.3483 0.076 Uiso 1 1 calc R . .
C21 C 0.2420(6) 0.3038(2) 0.3503(3) 0.0447(14) Uani 1 1 d . . .
H21A H 0.2556 0.3199 0.3994 0.067 Uiso 1 1 calc R . .
H21B H 0.1641 0.2924 0.3431 0.067 Uiso 1 1 calc R . .
H21C H 0.2594 0.3338 0.3142 0.067 Uiso 1 1 calc R . .
C22 C 0.1799(5) 0.1643(2) 0.3809(3) 0.0396(12) Uani 1 1 d . . .
H22A H 0.1643 0.1259 0.3582 0.059 Uiso 1 1 calc R . .
H22B H 0.1197 0.1918 0.3674 0.059 Uiso 1 1 calc R . .
H22C H 0.1860 0.1598 0.4340 0.059 Uiso 1 1 calc R . .
C23 C 0.5431(4) 0.1715(2) 0.0135(2) 0.0258(9) Uani 1 1 d . . .
C24 C 0.5983(4) 0.2254(2) 0.0226(2) 0.0264(9) Uani 1 1 d . . .
H24 H 0.5632 0.2606 0.0054 0.032 Uiso 1 1 calc R . .
C25 C 0.7064(4) 0.2284(2) 0.0572(3) 0.0406(13) Uani 1 1 d . . .
H25 H 0.7436 0.2651 0.0631 0.049 Uiso 1 1 calc R . .
C26 C 0.7572(4) 0.1756(2) 0.0827(3) 0.0383(12) Uani 1 1 d . . .
H26 H 0.8287 0.1767 0.1067 0.046 Uiso 1 1 calc R . .
C27 C 0.7007(4) 0.1203(2) 0.0724(3) 0.0337(11) Uani 1 1 d . . .
H27 H 0.7365 0.0848 0.0874 0.040 Uiso 1 1 calc R . .
C28 C 0.5951(4) 0.1186(2) 0.0410(3) 0.0303(10) Uani 1 1 d . . .
H28 H 0.5565 0.0822 0.0374 0.036 Uiso 1 1 calc R . .
C29 C 0.3893(4) 0.2351(2) -0.0876(3) 0.0286(10) Uani 1 1 d . . .
C30 C 0.3678(4) 0.2935(2) -0.0603(3) 0.0331(11) Uani 1 1 d . . .
H30 H 0.3539 0.2994 -0.0104 0.040 Uiso 1 1 calc R . .
C31 C 0.3679(4) 0.3416(2) -0.1086(3) 0.0431(13) Uani 1 1 d . . .
H31 H 0.3565 0.3803 -0.0908 0.052 Uiso 1 1 calc R . .
C32 C 0.3853(4) 0.3327(3) -0.1854(3) 0.0454(15) Uani 1 1 d . . .
H32 H 0.3845 0.3653 -0.2180 0.055 Uiso 1 1 calc R . .
C33 C 0.4026(5) 0.2771(3) -0.2102(3) 0.0487(15) Uani 1 1 d . . .
H33 H 0.4112 0.2710 -0.2607 0.058 Uiso 1 1 calc R . .
C34 C 0.4083(4) 0.2276(2) -0.1618(3) 0.0333(11) Uani 1 1 d . . .
H34 H 0.4250 0.1896 -0.1799 0.040 Uiso 1 1 calc R . .
C35 C 0.3754(4) 0.10777(19) -0.0860(2) 0.0245(9) Uani 1 1 d . . .
C36 C 0.2655(4) 0.0968(2) -0.1151(2) 0.0285(10) Uani 1 1 d . . .
H36 H 0.2064 0.1208 -0.1004 0.034 Uiso 1 1 calc R . .
C37 C 0.2433(4) 0.0502(2) -0.1657(3) 0.0365(11) Uani 1 1 d . . .
H37 H 0.1701 0.0429 -0.1848 0.044 Uiso 1 1 calc R . .
C38 C 0.3332(5) 0.0148(2) -0.1873(3) 0.0402(13) Uani 1 1 d . . .
H38 H 0.3191 -0.0164 -0.2210 0.048 Uiso 1 1 calc R . .
C39 C 0.4427(5) 0.0250(2) -0.1598(3) 0.0386(12) Uani 1 1 d . . .
H39 H 0.5022 0.0015 -0.1750 0.046 Uiso 1 1 calc R . .
C40 C 0.4612(4) 0.0712(2) -0.1090(3) 0.0301(10) Uani 1 1 d . . .
H40 H 0.5344 0.0780 -0.0895 0.036 Uiso 1 1 calc R . .
C41 C 0.6106(5) 0.1205(3) 0.5450(4) 0.0594(17) Uani 1 1 d . . .
H41A H 0.6269 0.1122 0.4937 0.071 Uiso 1 1 calc R . .
H41B H 0.6638 0.1508 0.5638 0.071 Uiso 1 1 calc R . .
C42 C 0.4898(5) 0.1459(3) 0.5471(3) 0.0535(16) Uani 1 1 d . . .
H42A H 0.4391 0.1124 0.5366 0.064 Uiso 1 1 d R . .
H42B H 0.4714 0.1779 0.5118 0.064 Uiso 1 1 d R . .
C43 C 0.4796(7) 0.1564(3) 0.6303(4) 0.071(2) Uani 1 1 d . . .
H43A H 0.5425 0.1808 0.6494 0.086 Uiso 1 1 calc R . .
H43B H 0.4104 0.1782 0.6382 0.086 Uiso 1 1 calc R . .
C44 C 0.4789(7) 0.0977(3) 0.6721(5) 0.082(2) Uani 1 1 d . . .
H44A H 0.4343 0.0711 0.6395 0.098 Uiso 1 1 d R . .
H44B H 0.4463 0.0978 0.7204 0.098 Uiso 1 1 d R . .
C45 C 0.6085(7) 0.0790(3) 0.6689(4) 0.071(2) Uani 1 1 d . . .
H45A H 0.6571 0.1120 0.6857 0.085 Uiso 1 1 calc R . .
H45B H 0.6249 0.0443 0.7004 0.085 Uiso 1 1 calc R . .
C46 C 0.6273(7) 0.0642(3) 0.5897(4) 0.076(2) Uani 1 1 d . . .
H46A H 0.5743 0.0336 0.5719 0.092 Uiso 1 1 calc R . .
H46B H 0.7033 0.0490 0.5853 0.092 Uiso 1 1 calc R . .
C1A C 0.1588(4) 0.2143(2) 0.0051(3) 0.0347(11) Uani 1 1 d . . .
Cl1 Cl 0.37526(10) 0.26787(5) 0.13953(6) 0.0297(2) Uani 1 1 d . . .
O1 O 0.0846(3) 0.2306(2) -0.0323(2) 0.0515(10) Uani 1 1 d . . .
P1 P 0.39579(9) 0.17115(5) -0.02395(6) 0.0219(2) Uani 1 1 d . . .
Rh1 Rh 0.33400(3) 0.197106(14) 0.240563(18) 0.01995(10) Uani 1 1 d . . .
Rh2 Rh 0.27100(3) 0.181196(14) 0.069025(18) 0.01891(10) Uani 1 1 d . . .
S1 S 0.38455(8) 0.12027(4) 0.15607(6) 0.0195(2) Uani 1 1 d . . .
S2 S 0.15226(9) 0.18836(4) 0.17489(6) 0.0204(2) 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
B3 C1 1.710(8) . ?
B3 C2 1.723(7) . ?
B3 B11 1.768(8) . ?
B3 B4 1.778(8) . ?
B3 B10 1.785(7) . ?
B3 H3 1.1000 . ?
B4 B9 1.752(7) . ?
B4 B10 1.766(7) . ?
B4 C1 1.769(7) . ?
B4 B5 1.841(7) . ?
B4 H4 1.1000 . ?
B5 C1 1.621(7) . ?
B5 B9 1.762(7) . ?
B5 B8 1.881(7) . ?
B5 H5 1.1000 . ?
B5 H8 1.5191 . ?
B7 C2 1.558(7) . ?
B7 B12 1.730(6) . ?
B7 B11 1.776(8) . ?
B7 B8 1.848(7) . ?
B7 H7 1.1000 . ?
B8 B12 1.746(7) . ?
B8 B9 1.756(6) . ?
B8 Rh2 2.112(5) . ?
B8 H8 1.1892 . ?
B9 B10 1.798(8) . ?
B9 B12 1.838(7) . ?
B9 S1 1.880(5) . ?
B10 B11 1.778(7) . ?
B10 B12 1.796(7) . ?
B10 H10 1.1000 . ?
B11 C2 1.696(7) . ?
B11 B12 1.730(7) . ?
B11 H11 1.1000 . ?
B12 S2 1.886(5) . ?
C1 C2 1.580(6) . ?
C1 H1 0.9710 . ?
C2 H2 0.9700 . ?
C13 C14 1.421(7) . ?
C13 C17 1.459(6) . ?
C13 C18 1.489(6) . ?
C13 Rh1 2.149(4) . ?
C14 C15 1.397(7) . ?
C14 C19 1.534(8) . ?
C14 Rh1 2.148(4) . ?
C15 C16 1.448(7) . ?
C15 C20 1.518(7) . ?
C15 Rh1 2.192(4) . ?
C16 C17 1.435(6) . ?
C16 C21 1.482(7) . ?
C16 Rh1 2.182(4) . ?
C17 C22 1.489(7) . ?
C17 Rh1 2.161(4) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C24 1.370(6) . ?
C23 C28 1.405(6) . ?
C23 P1 1.837(4) . ?
C24 C25 1.396(6) . ?
C24 H24 0.9300 . ?
C25 C26 1.386(7) . ?
C25 H25 0.9300 . ?
C26 C27 1.406(7) . ?
C26 H26 0.9300 . ?
C27 C28 1.346(6) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 C34 1.376(7) . ?
C29 C30 1.417(7) . ?
C29 P1 1.823(4) . ?
C30 C31 1.377(7) . ?
C30 H30 0.9300 . ?
C31 C32 1.424(8) . ?
C31 H31 0.9300 . ?
C32 C33 1.332(9) . ?
C32 H32 0.9300 . ?
C33 C34 1.401(7) . ?
C33 H33 0.9300 . ?
C34 H34 0.9300 . ?
C35 C40 1.382(6) . ?
C35 C36 1.400(6) . ?
C35 P1 1.805(4) . ?
C36 C37 1.393(6) . ?
C36 H36 0.9300 . ?
C37 C38 1.398(7) . ?
C37 H37 0.9300 . ?
C38 C39 1.382(7) . ?
C38 H38 0.9300 . ?
C39 C40 1.385(6) . ?
C39 H39 0.9300 . ?
C40 H40 0.9300 . ?
C41 C46 1.496(10) . ?
C41 C42 1.542(8) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C42 C43 1.527(9) . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C43 C44 1.505(11) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C44 C45 1.596(11) . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C45 C46 1.490(10) . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C46 H46A 0.9700 . ?
C46 H46B 0.9700 . ?
C1A O1 1.139(5) . ?
C1A Rh2 1.862(4) . ?
Cl1 Rh1 2.4723(11) . ?
Cl1 Rh2 2.5836(11) . ?
P1 Rh2 2.3034(12) . ?
Rh1 S1 2.3839(10) . ?
Rh1 S2 2.4087(11) . ?
Rh1 Rh2 3.1566(5) . ?
Rh2 S1 2.4227(10) . ?
Rh2 S2 2.4344(12) . ?

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
C1 B3 C2 54.8(3) . . ?
C1 B3 B11 103.3(4) . . ?
C2 B3 B11 58.1(3) . . ?
C1 B3 B4 60.9(3) . . ?
C2 B3 B4 104.9(4) . . ?
B11 B3 B4 109.5(4) . . ?
C1 B3 B10 103.2(4) . . ?
C2 B3 B10 102.1(4) . . ?
B11 B3 B10 60.0(3) . . ?
B4 B3 B10 59.4(3) . . ?
C1 B3 H3 125.4 . . ?
C2 B3 H3 126.2 . . ?
B11 B3 H3 121.9 . . ?
B4 B3 H3 120.4 . . ?
B10 B3 H3 124.5 . . ?
B9 B4 B10 61.5(3) . . ?
B9 B4 C1 96.8(3) . . ?
B10 B4 C1 101.6(3) . . ?
B9 B4 B3 106.9(4) . . ?
B10 B4 B3 60.5(3) . . ?
C1 B4 B3 57.7(3) . . ?
B9 B4 B5 58.7(3) . . ?
B10 B4 B5 108.3(4) . . ?
C1 B4 B5 53.3(3) . . ?
B3 B4 B5 104.7(4) . . ?
B9 B4 H4 124.4 . . ?
B10 B4 H4 121.2 . . ?
C1 B4 H4 130.2 . . ?
B3 B4 H4 121.9 . . ?
B5 B4 H4 123.5 . . ?
C1 B5 B9 102.2(3) . . ?
C1 B5 B4 61.1(3) . . ?
B9 B5 B4 58.2(3) . . ?
C1 B5 B8 101.1(3) . . ?
B9 B5 B8 57.5(2) . . ?
B4 B5 B8 105.3(3) . . ?
C1 B5 H5 116.7 . . ?
B9 B5 H5 140.6 . . ?
B4 B5 H5 136.7 . . ?
B8 B5 H5 116.7 . . ?
C1 B5 H8 94.5 . . ?
B9 B5 H8 96.7 . . ?
B4 B5 H8 135.3 . . ?
B8 B5 H8 39.2 . . ?
H5 B5 H8 86.9 . . ?
C2 B7 B12 103.9(4) . . ?
C2 B7 B11 60.7(3) . . ?
B12 B7 B11 59.1(3) . . ?
C2 B7 B8 103.8(4) . . ?
B12 B7 B8 58.3(3) . . ?
B11 B7 B8 107.2(3) . . ?
C2 B7 H7 115.5 . . ?
B12 B7 H7 140.0 . . ?
B11 B7 H7 136.7 . . ?
B8 B7 H7 115.0 . . ?
B12 B8 B9 63.3(3) . . ?
B12 B8 B7 57.5(3) . . ?
B9 B8 B7 106.7(3) . . ?
B12 B8 B5 107.3(3) . . ?
B9 B8 B5 57.8(2) . . ?
B7 B8 B5 104.2(3) . . ?
B12 B8 Rh2 94.7(2) . . ?
B9 B8 Rh2 95.3(2) . . ?
B7 B8 Rh2 127.1(3) . . ?
B5 B8 Rh2 127.9(3) . . ?
B12 B8 H8 139.8 . . ?
B9 B8 H8 111.6 . . ?
B7 B8 H8 90.4 . . ?
B5 B8 H8 53.8 . . ?
Rh2 B8 H8 125.3 . . ?
B4 B9 B8 115.0(3) . . ?
B4 B9 B5 63.2(3) . . ?
B8 B9 B5 64.6(3) . . ?
B4 B9 B10 59.6(3) . . ?
B8 B9 B10 109.2(3) . . ?
B5 B9 B10 110.4(3) . . ?
B4 B9 B12 107.5(3) . . ?
B8 B9 B12 58.1(3) . . ?
B5 B9 B12 108.6(3) . . ?
B10 B9 B12 59.2(3) . . ?
B4 B9 S1 136.2(3) . . ?
B8 B9 S1 102.3(3) . . ?
B5 B9 S1 119.5(3) . . ?
B10 B9 S1 128.6(3) . . ?
B12 B9 S1 111.4(3) . . ?
B4 B10 B11 109.6(3) . . ?
B4 B10 B3 60.1(3) . . ?
B11 B10 B3 59.5(3) . . ?
B4 B10 B12 108.8(4) . . ?
B11 B10 B12 57.9(3) . . ?
B3 B10 B12 104.2(3) . . ?
B4 B10 B9 58.9(3) . . ?
B11 B10 B9 107.5(3) . . ?
B3 B10 B9 104.6(4) . . ?
B12 B10 B9 61.5(3) . . ?
B4 B10 H10 120.5 . . ?
B11 B10 H10 121.6 . . ?
B3 B10 H10 124.3 . . ?
B12 B10 H10 122.6 . . ?
B9 B10 H10 122.6 . . ?
C2 B11 B12 98.3(4) . . ?
C2 B11 B3 59.6(3) . . ?
B12 B11 B3 107.8(4) . . ?
C2 B11 B7 53.3(3) . . ?
B12 B11 B7 59.1(3) . . ?
B3 B11 B7 106.0(4) . . ?
C2 B11 B10 103.5(4) . . ?
B12 B11 B10 61.6(3) . . ?
B3 B11 B10 60.4(3) . . ?
B7 B11 B10 108.8(4) . . ?
C2 B11 H11 128.8 . . ?
B12 B11 H11 123.9 . . ?
B3 B11 H11 121.0 . . ?
B7 B11 H11 123.3 . . ?
B10 B11 H11 120.8 . . ?
B11 B12 B7 61.7(3) . . ?
B11 B12 B8 114.0(3) . . ?
B7 B12 B8 64.2(3) . . ?
B11 B12 B10 60.5(3) . . ?
B7 B12 B10 110.1(3) . . ?
B8 B12 B10 109.7(3) . . ?
B11 B12 B9 107.9(3) . . ?
B7 B12 B9 108.3(3) . . ?
B8 B12 B9 58.6(3) . . ?
B10 B12 B9 59.3(3) . . ?
B11 B12 S2 136.0(4) . . ?
B7 B12 S2 123.1(3) . . ?
B8 B12 S2 104.4(3) . . ?
B10 B12 S2 125.2(3) . . ?
B9 B12 S2 110.2(3) . . ?
C2 C1 B5 115.0(4) . . ?
C2 C1 B3 63.0(3) . . ?
B5 C1 B3 118.6(3) . . ?
C2 C1 B4 111.9(3) . . ?
B5 C1 B4 65.6(3) . . ?
B3 C1 B4 61.4(3) . . ?
C2 C1 H1 109.9 . . ?
B5 C1 H1 104.3 . . ?
B3 C1 H1 135.5 . . ?
B4 C1 H1 137.2 . . ?
B7 C2 C1 115.7(4) . . ?
B7 C2 B11 66.0(3) . . ?
C1 C2 B11 112.7(3) . . ?
B7 C2 B3 119.2(4) . . ?
C1 C2 B3 62.2(3) . . ?
B11 C2 B3 62.3(3) . . ?
B7 C2 H2 129.1 . . ?
C1 C2 H2 107.9 . . ?
B11 C2 H2 119.2 . . ?
B3 C2 H2 103.5 . . ?
C14 C13 C17 107.6(4) . . ?
C14 C13 C18 126.2(5) . . ?
C17 C13 C18 126.1(5) . . ?
C14 C13 Rh1 70.6(3) . . ?
C17 C13 Rh1 70.7(2) . . ?
C18 C13 Rh1 127.1(3) . . ?
C15 C14 C13 108.3(5) . . ?
C15 C14 C19 125.4(5) . . ?
C13 C14 C19 126.1(5) . . ?
C15 C14 Rh1 72.9(3) . . ?
C13 C14 Rh1 70.8(2) . . ?
C19 C14 Rh1 125.5(4) . . ?
C14 C15 C16 110.0(4) . . ?
C14 C15 C20 127.6(5) . . ?
C16 C15 C20 122.3(5) . . ?
C14 C15 Rh1 69.5(2) . . ?
C16 C15 Rh1 70.3(2) . . ?
C20 C15 Rh1 123.6(4) . . ?
C17 C16 C15 106.0(4) . . ?
C17 C16 C21 128.0(5) . . ?
C15 C16 C21 125.8(5) . . ?
C17 C16 Rh1 69.9(2) . . ?
C15 C16 Rh1 71.0(3) . . ?
C21 C16 Rh1 128.0(4) . . ?
C16 C17 C13 107.9(4) . . ?
C16 C17 C22 126.7(4) . . ?
C13 C17 C22 125.3(4) . . ?
C16 C17 Rh1 71.5(3) . . ?
C13 C17 Rh1 69.8(3) . . ?
C22 C17 Rh1 126.8(3) . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 C28 119.4(4) . . ?
C24 C23 P1 119.1(3) . . ?
C28 C23 P1 121.0(3) . . ?
C23 C24 C25 121.1(4) . . ?
C23 C24 H24 119.4 . . ?
C25 C24 H24 119.4 . . ?
C26 C25 C24 118.6(5) . . ?
C26 C25 H25 120.7 . . ?
C24 C25 H25 120.7 . . ?
C25 C26 C27 120.0(4) . . ?
C25 C26 H26 120.0 . . ?
C27 C26 H26 120.0 . . ?
C28 C27 C26 120.4(4) . . ?
C28 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
C27 C28 C23 120.3(4) . . ?
C27 C28 H28 119.9 . . ?
C23 C28 H28 119.9 . . ?
C34 C29 C30 119.3(4) . . ?
C34 C29 P1 120.9(4) . . ?
C30 C29 P1 119.9(4) . . ?
C31 C30 C29 119.0(5) . . ?
C31 C30 H30 120.5 . . ?
C29 C30 H30 120.5 . . ?
C30 C31 C32 120.7(5) . . ?
C30 C31 H31 119.6 . . ?
C32 C31 H31 119.6 . . ?
C33 C32 C31 119.1(5) . . ?
C33 C32 H32 120.4 . . ?
C31 C32 H32 120.4 . . ?
C32 C33 C34 121.5(5) . . ?
C32 C33 H33 119.3 . . ?
C34 C33 H33 119.3 . . ?
C29 C34 C33 120.3(5) . . ?
C29 C34 H34 119.9 . . ?
C33 C34 H34 119.9 . . ?
C40 C35 C36 118.1(4) . . ?
C40 C35 P1 124.5(3) . . ?
C36 C35 P1 117.3(3) . . ?
C37 C36 C35 120.9(4) . . ?
C37 C36 H36 119.6 . . ?
C35 C36 H36 119.6 . . ?
C36 C37 C38 118.7(4) . . ?
C36 C37 H37 120.7 . . ?
C38 C37 H37 120.7 . . ?
C39 C38 C37 121.6(4) . . ?
C39 C38 H38 119.2 . . ?
C37 C38 H38 119.2 . . ?
C38 C39 C40 118.0(5) . . ?
C38 C39 H39 121.0 . . ?
C40 C39 H39 121.0 . . ?
C35 C40 C39 122.7(4) . . ?
C35 C40 H40 118.7 . . ?
C39 C40 H40 118.7 . . ?
C46 C41 C42 112.9(6) . . ?
C46 C41 H41A 109.0 . . ?
C42 C41 H41A 109.0 . . ?
C46 C41 H41B 109.0 . . ?
C42 C41 H41B 109.0 . . ?
H41A C41 H41B 107.8 . . ?
C43 C42 C41 101.7(5) . . ?
C43 C42 H42A 103.1 . . ?
C41 C42 H42A 106.3 . . ?
C43 C42 H42B 120.3 . . ?
C41 C42 H42B 115.4 . . ?
H42A C42 H42B 108.7 . . ?
C44 C43 C42 111.2(6) . . ?
C44 C43 H43A 109.4 . . ?
C42 C43 H43A 109.4 . . ?
C44 C43 H43B 109.4 . . ?
C42 C43 H43B 109.4 . . ?
H43A C43 H43B 108.0 . . ?
C43 C44 C45 100.1(7) . . ?
C43 C44 H44A 104.1 . . ?
C45 C44 H44A 108.3 . . ?
C43 C44 H44B 117.4 . . ?
C45 C44 H44B 117.6 . . ?
H44A C44 H44B 108.3 . . ?
C46 C45 C44 106.6(6) . . ?
C46 C45 H45A 110.4 . . ?
C44 C45 H45A 110.4 . . ?
C46 C45 H45B 110.4 . . ?
C44 C45 H45B 110.4 . . ?
H45A C45 H45B 108.6 . . ?
C45 C46 C41 108.0(6) . . ?
C45 C46 H46A 110.1 . . ?
C41 C46 H46A 110.1 . . ?
C45 C46 H46B 110.1 . . ?
C41 C46 H46B 110.1 . . ?
H46A C46 H46B 108.4 . . ?
O1 C1A Rh2 174.2(5) . . ?
Rh1 Cl1 Rh2 77.23(3) . . ?
C35 P1 C29 102.6(2) . . ?
C35 P1 C23 108.9(2) . . ?
C29 P1 C23 103.5(2) . . ?
C35 P1 Rh2 117.07(15) . . ?
C29 P1 Rh2 111.97(17) . . ?
C23 P1 Rh2 111.59(15) . . ?
C14 Rh1 C13 38.61(18) . . ?
C14 Rh1 C17 65.28(19) . . ?
C13 Rh1 C17 39.56(17) . . ?
C14 Rh1 C16 65.1(2) . . ?
C13 Rh1 C16 65.42(17) . . ?
C17 Rh1 C16 38.59(16) . . ?
C14 Rh1 C15 37.53(18) . . ?
C13 Rh1 C15 63.48(18) . . ?
C17 Rh1 C15 63.87(18) . . ?
C16 Rh1 C15 38.68(19) . . ?
C14 Rh1 S1 100.63(15) . . ?
C13 Rh1 S1 98.02(12) . . ?
C17 Rh1 S1 128.79(11) . . ?
C16 Rh1 S1 163.24(13) . . ?
C15 Rh1 S1 132.95(14) . . ?
C14 Rh1 S2 165.23(15) . . ?
C13 Rh1 S2 126.94(13) . . ?
C17 Rh1 S2 101.21(12) . . ?
C16 Rh1 S2 108.57(14) . . ?
C15 Rh1 S2 143.45(14) . . ?
S1 Rh1 S2 83.01(3) . . ?
C14 Rh1 Cl1 110.34(14) . . ?
C13 Rh1 Cl1 148.93(13) . . ?
C17 Rh1 Cl1 145.68(11) . . ?
C16 Rh1 Cl1 107.39(13) . . ?
C15 Rh1 Cl1 91.63(14) . . ?
S1 Rh1 Cl1 85.38(4) . . ?
S2 Rh1 Cl1 84.13(4) . . ?
C14 Rh1 Rh2 141.94(16) . . ?
C13 Rh1 Rh2 145.68(12) . . ?
C17 Rh1 Rh2 149.39(11) . . ?
C16 Rh1 Rh2 147.22(13) . . ?
C15 Rh1 Rh2 144.15(14) . . ?
S1 Rh1 Rh2 49.48(2) . . ?
S2 Rh1 Rh2 49.68(3) . . ?
Cl1 Rh1 Rh2 52.96(3) . . ?
C1A Rh2 B8 90.4(2) . . ?
C1A Rh2 P1 93.12(16) . . ?
B8 Rh2 P1 102.21(13) . . ?
C1A Rh2 S1 166.75(18) . . ?
B8 Rh2 S1 77.00(12) . . ?
P1 Rh2 S1 93.40(4) . . ?
C1A Rh2 S2 91.96(16) . . ?
B8 Rh2 S2 77.96(13) . . ?
P1 Rh2 S2 174.92(4) . . ?
S1 Rh2 S2 81.67(4) . . ?
C1A Rh2 Cl1 108.42(16) . . ?
B8 Rh2 Cl1 152.41(12) . . ?
P1 Rh2 Cl1 96.89(4) . . ?
S1 Rh2 Cl1 82.20(3) . . ?
S2 Rh2 Cl1 81.28(4) . . ?
C1A Rh2 Rh1 133.12(15) . . ?
B8 Rh2 Rh1 102.61(12) . . ?
P1 Rh2 Rh1 126.44(3) . . ?
S1 Rh2 Rh1 48.42(2) . . ?
S2 Rh2 Rh1 48.97(3) . . ?
Cl1 Rh2 Rh1 49.81(3) . . ?
B9 S1 Rh1 107.89(16) . . ?
B9 S1 Rh2 82.58(15) . . ?
Rh1 S1 Rh2 82.10(3) . . ?
B12 S2 Rh1 108.70(15) . . ?
B12 S2 Rh2 81.39(17) . . ?
Rh1 S2 Rh2 81.35(4) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 B3 B4 B9 87.4(4) . . . . ?
C2 B3 B4 B9 53.6(4) . . . . ?
B11 B3 B4 B9 -7.3(5) . . . . ?
B10 B3 B4 B9 -41.8(3) . . . . ?
C1 B3 B4 B10 129.2(4) . . . . ?
C2 B3 B4 B10 95.4(4) . . . . ?
B11 B3 B4 B10 34.5(4) . . . . ?
C2 B3 B4 C1 -33.8(3) . . . . ?
B11 B3 B4 C1 -94.8(4) . . . . ?
B10 B3 B4 C1 -129.2(4) . . . . ?
C1 B3 B4 B5 26.3(3) . . . . ?
C2 B3 B4 B5 -7.5(4) . . . . ?
B11 B3 B4 B5 -68.5(4) . . . . ?
B10 B3 B4 B5 -103.0(4) . . . . ?
B9 B4 B5 C1 -128.8(4) . . . . ?
B10 B4 B5 C1 -91.1(4) . . . . ?
B3 B4 B5 C1 -27.8(3) . . . . ?
B10 B4 B5 B9 37.8(3) . . . . ?
C1 B4 B5 B9 128.8(4) . . . . ?
B3 B4 B5 B9 101.0(4) . . . . ?
B9 B4 B5 B8 -34.4(3) . . . . ?
B10 B4 B5 B8 3.4(4) . . . . ?
C1 B4 B5 B8 94.4(3) . . . . ?
B3 B4 B5 B8 66.6(4) . . . . ?
C2 B7 B8 B12 -97.9(4) . . . . ?
B11 B7 B8 B12 -34.7(3) . . . . ?
C2 B7 B8 B9 -56.4(4) . . . . ?
B12 B7 B8 B9 41.6(3) . . . . ?
B11 B7 B8 B9 6.8(4) . . . . ?
C2 B7 B8 B5 3.8(4) . . . . ?
B12 B7 B8 B5 101.7(3) . . . . ?
B11 B7 B8 B5 67.0(4) . . . . ?
C2 B7 B8 Rh2 -166.8(3) . . . . ?
B12 B7 B8 Rh2 -68.8(4) . . . . ?
B11 B7 B8 Rh2 -103.6(4) . . . . ?
C1 B5 B8 B12 56.2(4) . . . . ?
B9 B5 B8 B12 -41.2(3) . . . . ?
B4 B5 B8 B12 -6.5(4) . . . . ?
C1 B5 B8 B9 97.4(4) . . . . ?
B4 B5 B8 B9 34.7(3) . . . . ?
C1 B5 B8 B7 -3.6(4) . . . . ?
B9 B5 B8 B7 -101.1(3) . . . . ?
B4 B5 B8 B7 -66.4(4) . . . . ?
C1 B5 B8 Rh2 166.8(3) . . . . ?
B9 B5 B8 Rh2 69.4(4) . . . . ?
B4 B5 B8 Rh2 104.1(4) . . . . ?
B10 B4 B9 B8 -98.5(4) . . . . ?
C1 B4 B9 B8 1.1(5) . . . . ?
B3 B4 B9 B8 -57.1(5) . . . . ?
B5 B4 B9 B8 40.1(4) . . . . ?
B10 B4 B9 B5 -138.6(3) . . . . ?
C1 B4 B9 B5 -39.0(3) . . . . ?
B3 B4 B9 B5 -97.2(4) . . . . ?
C1 B4 B9 B10 99.5(4) . . . . ?
B3 B4 B9 B10 41.3(3) . . . . ?
B5 B4 B9 B10 138.6(3) . . . . ?
B10 B4 B9 B12 -36.1(3) . . . . ?
C1 B4 B9 B12 63.4(4) . . . . ?
B3 B4 B9 B12 5.2(5) . . . . ?
B5 B4 B9 B12 102.4(4) . . . . ?
B10 B4 B9 S1 115.8(5) . . . . ?
C1 B4 B9 S1 -144.7(4) . . . . ?
B3 B4 B9 S1 157.1(4) . . . . ?
B5 B4 B9 S1 -105.7(5) . . . . ?
B12 B8 B9 B4 95.8(4) . . . . ?
B7 B8 B9 B4 57.0(5) . . . . ?
B5 B8 B9 B4 -39.5(4) . . . . ?
Rh2 B8 B9 B4 -171.6(3) . . . . ?
B12 B8 B9 B5 135.3(3) . . . . ?
B7 B8 B9 B5 96.5(3) . . . . ?
Rh2 B8 B9 B5 -132.1(3) . . . . ?
B12 B8 B9 B10 31.1(3) . . . . ?
B7 B8 B9 B10 -7.6(4) . . . . ?
B5 B8 B9 B10 -104.1(4) . . . . ?
Rh2 B8 B9 B10 123.7(3) . . . . ?
B7 B8 B9 B12 -38.8(3) . . . . ?
B5 B8 B9 B12 -135.3(3) . . . . ?
Rh2 B8 B9 B12 92.6(2) . . . . ?
B12 B8 B9 S1 -107.7(3) . . . . ?
B7 B8 B9 S1 -146.5(3) . . . . ?
B5 B8 B9 S1 117.0(3) . . . . ?
Rh2 B8 B9 S1 -15.1(3) . . . . ?
C1 B5 B9 B4 44.2(3) . . . . ?
B8 B5 B9 B4 139.8(4) . . . . ?
C1 B5 B9 B8 -95.6(3) . . . . ?
B4 B5 B9 B8 -139.8(4) . . . . ?
C1 B5 B9 B10 6.7(4) . . . . ?
B4 B5 B9 B10 -37.6(3) . . . . ?
B8 B5 B9 B10 102.2(4) . . . . ?
C1 B5 B9 B12 -56.5(4) . . . . ?
B4 B5 B9 B12 -100.7(4) . . . . ?
B8 B5 B9 B12 39.1(3) . . . . ?
C1 B5 B9 S1 174.3(3) . . . . ?
B4 B5 B9 S1 130.1(4) . . . . ?
B8 B5 B9 S1 -90.2(3) . . . . ?
B9 B4 B10 B11 99.1(4) . . . . ?
C1 B4 B10 B11 7.6(5) . . . . ?
B3 B4 B10 B11 -34.3(4) . . . . ?
B5 B4 B10 B11 62.6(4) . . . . ?
B9 B4 B10 B3 133.4(4) . . . . ?
C1 B4 B10 B3 41.9(3) . . . . ?
B5 B4 B10 B3 96.9(4) . . . . ?
B9 B4 B10 B12 37.5(3) . . . . ?
C1 B4 B10 B12 -54.1(4) . . . . ?
B3 B4 B10 B12 -96.0(4) . . . . ?
B5 B4 B10 B12 0.9(4) . . . . ?
C1 B4 B10 B9 -91.5(4) . . . . ?
B3 B4 B10 B9 -133.4(4) . . . . ?
B5 B4 B10 B9 -36.5(3) . . . . ?
C1 B3 B10 B4 -44.0(3) . . . . ?
C2 B3 B10 B4 -100.3(4) . . . . ?
B11 B3 B10 B4 -142.0(4) . . . . ?
C1 B3 B10 B11 97.9(4) . . . . ?
C2 B3 B10 B11 41.7(3) . . . . ?
B4 B3 B10 B11 142.0(4) . . . . ?
C1 B3 B10 B12 59.7(4) . . . . ?
C2 B3 B10 B12 3.4(5) . . . . ?
B11 B3 B10 B12 -38.2(3) . . . . ?
B4 B3 B10 B12 103.7(4) . . . . ?
C1 B3 B10 B9 -4.0(4) . . . . ?
C2 B3 B10 B9 -60.3(4) . . . . ?
B11 B3 B10 B9 -102.0(4) . . . . ?
B4 B3 B10 B9 40.0(3) . . . . ?
B8 B9 B10 B4 108.3(4) . . . . ?
B5 B9 B10 B4 39.1(3) . . . . ?
B12 B9 B10 B4 139.1(3) . . . . ?
S1 B9 B10 B4 -127.1(4) . . . . ?
B4 B9 B10 B11 -102.7(4) . . . . ?
B8 B9 B10 B11 5.6(4) . . . . ?
B5 B9 B10 B11 -63.7(4) . . . . ?
B12 B9 B10 B11 36.3(3) . . . . ?
S1 B9 B10 B11 130.2(4) . . . . ?
B4 B9 B10 B3 -40.6(3) . . . . ?
B8 B9 B10 B3 67.7(4) . . . . ?
B5 B9 B10 B3 -1.5(4) . . . . ?
B12 B9 B10 B3 98.5(3) . . . . ?
S1 B9 B10 B3 -167.7(3) . . . . ?
B4 B9 B10 B12 -139.1(3) . . . . ?
B8 B9 B10 B12 -30.7(3) . . . . ?
B5 B9 B10 B12 -100.0(3) . . . . ?
S1 B9 B10 B12 93.8(4) . . . . ?
C1 B3 B11 C2 32.4(3) . . . . ?
B4 B3 B11 C2 95.8(4) . . . . ?
B10 B3 B11 C2 130.1(4) . . . . ?
C1 B3 B11 B12 -56.9(4) . . . . ?
C2 B3 B11 B12 -89.2(4) . . . . ?
B4 B3 B11 B12 6.6(5) . . . . ?
B10 B3 B11 B12 40.8(3) . . . . ?
C1 B3 B11 B7 5.2(4) . . . . ?
C2 B3 B11 B7 -27.2(3) . . . . ?
B4 B3 B11 B7 68.7(4) . . . . ?
B10 B3 B11 B7 102.9(4) . . . . ?
C1 B3 B11 B10 -97.7(4) . . . . ?
C2 B3 B11 B10 -130.1(4) . . . . ?
B4 B3 B11 B10 -34.2(4) . . . . ?
B12 B7 B11 C2 -130.9(4) . . . . ?
B8 B7 B11 C2 -96.5(4) . . . . ?
C2 B7 B11 B12 130.9(4) . . . . ?
B8 B7 B11 B12 34.4(3) . . . . ?
C2 B7 B11 B3 29.4(3) . . . . ?
B12 B7 B11 B3 -101.4(4) . . . . ?
B8 B7 B11 B3 -67.1(4) . . . . ?
C2 B7 B11 B10 93.0(4) . . . . ?
B12 B7 B11 B10 -37.9(3) . . . . ?
B8 B7 B11 B10 -3.5(4) . . . . ?
B4 B10 B11 C2 -8.2(5) . . . . ?
B3 B10 B11 C2 -42.7(4) . . . . ?
B12 B10 B11 C2 92.2(4) . . . . ?
B9 B10 B11 C2 54.2(4) . . . . ?
B4 B10 B11 B12 -100.4(4) . . . . ?
B3 B10 B11 B12 -134.9(4) . . . . ?
B9 B10 B11 B12 -37.9(3) . . . . ?
B4 B10 B11 B3 34.5(4) . . . . ?
B12 B10 B11 B3 134.9(4) . . . . ?
B9 B10 B11 B3 97.0(4) . . . . ?
B4 B10 B11 B7 -63.6(4) . . . . ?
B3 B10 B11 B7 -98.1(4) . . . . ?
B12 B10 B11 B7 36.8(3) . . . . ?
B9 B10 B11 B7 -1.1(4) . . . . ?
C2 B11 B12 B7 37.7(3) . . . . ?
B3 B11 B12 B7 98.4(4) . . . . ?
B10 B11 B12 B7 138.7(4) . . . . ?
C2 B11 B12 B8 -1.0(5) . . . . ?
B3 B11 B12 B8 59.7(5) . . . . ?
B7 B11 B12 B8 -38.7(4) . . . . ?
B10 B11 B12 B8 100.0(4) . . . . ?
C2 B11 B12 B10 -100.9(4) . . . . ?
B3 B11 B12 B10 -40.3(3) . . . . ?
B7 B11 B12 B10 -138.7(4) . . . . ?
C2 B11 B12 B9 -63.9(4) . . . . ?
B3 B11 B12 B9 -3.2(5) . . . . ?
B7 B11 B12 B9 -101.6(4) . . . . ?
B10 B11 B12 B9 37.1(3) . . . . ?
C2 B11 B12 S2 147.5(4) . . . . ?
B3 B11 B12 S2 -151.9(4) . . . . ?
B7 B11 B12 S2 109.7(5) . . . . ?
B10 B11 B12 S2 -111.6(5) . . . . ?
C2 B7 B12 B11 -42.8(4) . . . . ?
B8 B7 B12 B11 -140.6(4) . . . . ?
C2 B7 B12 B8 97.9(4) . . . . ?
B11 B7 B12 B8 140.6(4) . . . . ?
C2 B7 B12 B10 -5.0(5) . . . . ?
B11 B7 B12 B10 37.7(4) . . . . ?
B8 B7 B12 B10 -102.9(4) . . . . ?
C2 B7 B12 B9 58.1(4) . . . . ?
B11 B7 B12 B9 100.9(4) . . . . ?
B8 B7 B12 B9 -39.7(3) . . . . ?
C2 B7 B12 S2 -171.4(4) . . . . ?
B11 B7 B12 S2 -128.6(5) . . . . ?
B8 B7 B12 S2 90.8(4) . . . . ?
B9 B8 B12 B11 -97.0(4) . . . . ?
B7 B8 B12 B11 37.7(4) . . . . ?
B5 B8 B12 B11 -58.4(4) . . . . ?
Rh2 B8 B12 B11 169.5(3) . . . . ?
B9 B8 B12 B7 -134.7(3) . . . . ?
B5 B8 B12 B7 -96.1(4) . . . . ?
Rh2 B8 B12 B7 131.7(3) . . . . ?
B9 B8 B12 B10 -31.3(3) . . . . ?
B7 B8 B12 B10 103.4(4) . . . . ?
B5 B8 B12 B10 7.3(4) . . . . ?
Rh2 B8 B12 B10 -124.9(3) . . . . ?
B7 B8 B12 B9 134.7(3) . . . . ?
B5 B8 B12 B9 38.6(3) . . . . ?
Rh2 B8 B12 B9 -93.6(2) . . . . ?
B9 B8 B12 S2 105.1(3) . . . . ?
B7 B8 B12 S2 -120.2(3) . . . . ?
B5 B8 B12 S2 143.7(3) . . . . ?
Rh2 B8 B12 S2 11.5(3) . . . . ?
B4 B10 B12 B11 101.8(4) . . . . ?
B3 B10 B12 B11 39.0(4) . . . . ?
B9 B10 B12 B11 138.2(4) . . . . ?
B4 B10 B12 B7 63.6(5) . . . . ?
B11 B10 B12 B7 -38.3(3) . . . . ?
B3 B10 B12 B7 0.8(5) . . . . ?
B9 B10 B12 B7 99.9(4) . . . . ?
B4 B10 B12 B8 -5.3(5) . . . . ?
B11 B10 B12 B8 -107.1(4) . . . . ?
B3 B10 B12 B8 -68.1(4) . . . . ?
B9 B10 B12 B8 31.1(3) . . . . ?
B4 B10 B12 B9 -36.3(3) . . . . ?
B11 B10 B12 B9 -138.2(4) . . . . ?
B3 B10 B12 B9 -99.1(4) . . . . ?
B4 B10 B12 S2 -130.4(4) . . . . ?
B11 B10 B12 S2 127.7(5) . . . . ?
B3 B10 B12 S2 166.7(4) . . . . ?
B9 B10 B12 S2 -94.1(4) . . . . ?
B4 B9 B12 B11 -1.2(5) . . . . ?
B8 B9 B12 B11 107.7(4) . . . . ?
B5 B9 B12 B11 65.6(4) . . . . ?
B10 B9 B12 B11 -37.6(3) . . . . ?
S1 B9 B12 B11 -160.8(3) . . . . ?
B4 B9 B12 B7 -66.6(4) . . . . ?
B8 B9 B12 B7 42.4(3) . . . . ?
B5 B9 B12 B7 0.3(5) . . . . ?
B10 B9 B12 B7 -102.9(4) . . . . ?
S1 B9 B12 B7 133.9(3) . . . . ?
B4 B9 B12 B8 -109.0(4) . . . . ?
B5 B9 B12 B8 -42.1(3) . . . . ?
B10 B9 B12 B8 -145.3(3) . . . . ?
S1 B9 B12 B8 91.5(3) . . . . ?
B4 B9 B12 B10 36.3(3) . . . . ?
B8 B9 B12 B10 145.3(3) . . . . ?
B5 B9 B12 B10 103.2(4) . . . . ?
S1 B9 B12 B10 -123.2(3) . . . . ?
B4 B9 B12 S2 156.1(3) . . . . ?
B8 B9 B12 S2 -94.9(3) . . . . ?
B5 B9 B12 S2 -137.0(3) . . . . ?
B10 B9 B12 S2 119.8(3) . . . . ?
S1 B9 B12 S2 -3.4(4) . . . . ?
B9 B5 C1 C2 61.2(4) . . . . ?
B4 B5 C1 C2 103.9(4) . . . . ?
B8 B5 C1 C2 2.4(4) . . . . ?
B9 B5 C1 B3 -10.3(5) . . . . ?
B4 B5 C1 B3 32.3(4) . . . . ?
B8 B5 C1 B3 -69.2(4) . . . . ?
B9 B5 C1 B4 -42.6(3) . . . . ?
B8 B5 C1 B4 -101.5(3) . . . . ?
B11 B3 C1 C2 -33.8(3) . . . . ?
B4 B3 C1 C2 -138.9(4) . . . . ?
B10 B3 C1 C2 -95.7(4) . . . . ?
C2 B3 C1 B5 105.3(4) . . . . ?
B11 B3 C1 B5 71.5(5) . . . . ?
B4 B3 C1 B5 -33.6(4) . . . . ?
B10 B3 C1 B5 9.6(5) . . . . ?
C2 B3 C1 B4 138.9(4) . . . . ?
B11 B3 C1 B4 105.1(4) . . . . ?
B10 B3 C1 B4 43.2(3) . . . . ?
B9 B4 C1 C2 -66.5(4) . . . . ?
B10 B4 C1 C2 -4.3(5) . . . . ?
B3 B4 C1 C2 39.1(4) . . . . ?
B5 B4 C1 C2 -108.6(4) . . . . ?
B9 B4 C1 B5 42.1(3) . . . . ?
B10 B4 C1 B5 104.3(4) . . . . ?
B3 B4 C1 B5 147.7(4) . . . . ?
B9 B4 C1 B3 -105.7(4) . . . . ?
B10 B4 C1 B3 -43.5(3) . . . . ?
B5 B4 C1 B3 -147.7(4) . . . . ?
B12 B7 C2 C1 -62.9(5) . . . . ?
B11 B7 C2 C1 -104.8(4) . . . . ?
B8 B7 C2 C1 -2.7(5) . . . . ?
B12 B7 C2 B11 41.9(3) . . . . ?
B8 B7 C2 B11 102.1(3) . . . . ?
B12 B7 C2 B3 8.2(6) . . . . ?
B11 B7 C2 B3 -33.7(4) . . . . ?
B8 B7 C2 B3 68.4(5) . . . . ?
B5 C1 C2 B7 0.1(6) . . . . ?
B3 C1 C2 B7 111.0(4) . . . . ?
B4 C1 C2 B7 72.5(5) . . . . ?
B5 C1 C2 B11 -73.1(5) . . . . ?
B3 C1 C2 B11 37.7(4) . . . . ?
B4 C1 C2 B11 -0.8(5) . . . . ?
B5 C1 C2 B3 -110.8(4) . . . . ?
B4 C1 C2 B3 -38.5(4) . . . . ?
B12 B11 C2 B7 -41.0(3) . . . . ?
B3 B11 C2 B7 -146.8(4) . . . . ?
B10 B11 C2 B7 -103.6(4) . . . . ?
B12 B11 C2 C1 68.1(5) . . . . ?
B3 B11 C2 C1 -37.7(4) . . . . ?
B7 B11 C2 C1 109.1(4) . . . . ?
B10 B11 C2 C1 5.5(5) . . . . ?
B12 B11 C2 B3 105.8(4) . . . . ?
B7 B11 C2 B3 146.8(4) . . . . ?
B10 B11 C2 B3 43.2(3) . . . . ?
C1 B3 C2 B7 -105.4(5) . . . . ?
B11 B3 C2 B7 35.0(4) . . . . ?
B4 B3 C2 B7 -69.0(5) . . . . ?
B10 B3 C2 B7 -7.7(6) . . . . ?
B11 B3 C2 C1 140.4(4) . . . . ?
B4 B3 C2 C1 36.5(3) . . . . ?
B10 B3 C2 C1 97.7(4) . . . . ?
C1 B3 C2 B11 -140.4(4) . . . . ?
B4 B3 C2 B11 -103.9(4) . . . . ?
B10 B3 C2 B11 -42.7(3) . . . . ?
C17 C13 C14 C15 2.4(5) . . . . ?
C18 C13 C14 C15 -173.9(4) . . . . ?
Rh1 C13 C14 C15 63.7(3) . . . . ?
C17 C13 C14 C19 178.2(4) . . . . ?
C18 C13 C14 C19 1.9(8) . . . . ?
Rh1 C13 C14 C19 -120.5(5) . . . . ?
C17 C13 C14 Rh1 -61.3(3) . . . . ?
C18 C13 C14 Rh1 122.4(4) . . . . ?
C13 C14 C15 C16 -3.6(5) . . . . ?
C19 C14 C15 C16 -179.5(5) . . . . ?
Rh1 C14 C15 C16 58.7(3) . . . . ?
C13 C14 C15 C20 -179.5(5) . . . . ?
C19 C14 C15 C20 4.6(8) . . . . ?
Rh1 C14 C15 C20 -117.2(5) . . . . ?
C13 C14 C15 Rh1 -62.3(3) . . . . ?
C19 C14 C15 Rh1 121.8(5) . . . . ?
C14 C15 C16 C17 3.3(5) . . . . ?
C20 C15 C16 C17 179.5(4) . . . . ?
Rh1 C15 C16 C17 61.6(3) . . . . ?
C14 C15 C16 C21 178.1(5) . . . . ?
C20 C15 C16 C21 -5.7(8) . . . . ?
Rh1 C15 C16 C21 -123.7(5) . . . . ?
C14 C15 C16 Rh1 -58.3(3) . . . . ?
C20 C15 C16 Rh1 117.9(5) . . . . ?
C15 C16 C17 C13 -1.7(5) . . . . ?
C21 C16 C17 C13 -176.3(5) . . . . ?
Rh1 C16 C17 C13 60.6(3) . . . . ?
C15 C16 C17 C22 175.1(4) . . . . ?
C21 C16 C17 C22 0.5(8) . . . . ?
Rh1 C16 C17 C22 -122.6(4) . . . . ?
C15 C16 C17 Rh1 -62.3(3) . . . . ?
C21 C16 C17 Rh1 123.1(5) . . . . ?
C14 C13 C17 C16 -0.4(5) . . . . ?
C18 C13 C17 C16 176.0(4) . . . . ?
Rh1 C13 C17 C16 -61.6(3) . . . . ?
C14 C13 C17 C22 -177.3(4) . . . . ?
C18 C13 C17 C22 -1.0(7) . . . . ?
Rh1 C13 C17 C22 121.4(4) . . . . ?
C14 C13 C17 Rh1 61.3(3) . . . . ?
C18 C13 C17 Rh1 -122.4(4) . . . . ?
C28 C23 C24 C25 1.4(7) . . . . ?
P1 C23 C24 C25 174.0(4) . . . . ?
C23 C24 C25 C26 -0.2(8) . . . . ?
C24 C25 C26 C27 1.0(8) . . . . ?
C25 C26 C27 C28 -3.2(8) . . . . ?
C26 C27 C28 C23 4.4(8) . . . . ?
C24 C23 C28 C27 -3.5(7) . . . . ?
P1 C23 C28 C27 -175.9(4) . . . . ?
C34 C29 C30 C31 -0.8(7) . . . . ?
P1 C29 C30 C31 177.3(4) . . . . ?
C29 C30 C31 C32 2.2(7) . . . . ?
C30 C31 C32 C33 -0.7(8) . . . . ?
C31 C32 C33 C34 -2.4(8) . . . . ?
C30 C29 C34 C33 -2.2(7) . . . . ?
P1 C29 C34 C33 179.7(4) . . . . ?
C32 C33 C34 C29 3.8(8) . . . . ?
C40 C35 C36 C37 0.0(7) . . . . ?
P1 C35 C36 C37 177.4(4) . . . . ?
C35 C36 C37 C38 -0.3(7) . . . . ?
C36 C37 C38 C39 -0.2(8) . . . . ?
C37 C38 C39 C40 0.9(8) . . . . ?
C36 C35 C40 C39 0.7(7) . . . . ?
P1 C35 C40 C39 -176.4(4) . . . . ?
C38 C39 C40 C35 -1.2(8) . . . . ?
C46 C41 C42 C43 59.0(7) . . . . ?
C41 C42 C43 C44 -67.6(7) . . . . ?
C42 C43 C44 C45 73.1(7) . . . . ?
C43 C44 C45 C46 -68.7(7) . . . . ?
C44 C45 C46 C41 64.9(8) . . . . ?
C42 C41 C46 C45 -62.0(8) . . . . ?
C40 C35 P1 C29 100.9(4) . . . . ?
C36 C35 P1 C29 -76.3(4) . . . . ?
C40 C35 P1 C23 -8.4(5) . . . . ?
C36 C35 P1 C23 174.5(3) . . . . ?
C40 C35 P1 Rh2 -136.1(4) . . . . ?
C36 C35 P1 Rh2 46.8(4) . . . . ?
C34 C29 P1 C35 -20.9(4) . . . . ?
C30 C29 P1 C35 161.0(4) . . . . ?
C34 C29 P1 C23 92.4(4) . . . . ?
C30 C29 P1 C23 -85.7(4) . . . . ?
C34 C29 P1 Rh2 -147.3(3) . . . . ?
C30 C29 P1 Rh2 34.6(4) . . . . ?
C24 C23 P1 C35 141.3(4) . . . . ?
C28 C23 P1 C35 -46.3(4) . . . . ?
C24 C23 P1 C29 32.6(4) . . . . ?
C28 C23 P1 C29 -155.0(4) . . . . ?
C24 C23 P1 Rh2 -88.0(4) . . . . ?
C28 C23 P1 Rh2 84.5(4) . . . . ?
C15 C14 Rh1 C13 -117.1(5) . . . . ?
C19 C14 Rh1 C13 121.2(6) . . . . ?
C15 C14 Rh1 C17 -78.7(3) . . . . ?
C13 C14 Rh1 C17 38.4(3) . . . . ?
C19 C14 Rh1 C17 159.6(5) . . . . ?
C15 C14 Rh1 C16 -36.0(3) . . . . ?
C13 C14 Rh1 C16 81.1(3) . . . . ?
C19 C14 Rh1 C16 -157.7(5) . . . . ?
C13 C14 Rh1 C15 117.1(5) . . . . ?
C19 C14 Rh1 C15 -121.7(6) . . . . ?
C15 C14 Rh1 S1 153.3(3) . . . . ?
C13 C14 Rh1 S1 -89.6(3) . . . . ?
C19 C14 Rh1 S1 31.6(4) . . . . ?
C15 C14 Rh1 S2 -103.6(6) . . . . ?
C13 C14 Rh1 S2 13.5(8) . . . . ?
C19 C14 Rh1 S2 134.7(5) . . . . ?
C15 C14 Rh1 Cl1 64.4(3) . . . . ?
C13 C14 Rh1 Cl1 -178.5(2) . . . . ?
C19 C14 Rh1 Cl1 -57.4(4) . . . . ?
C15 C14 Rh1 Rh2 119.7(3) . . . . ?
C13 C14 Rh1 Rh2 -123.2(3) . . . . ?
C19 C14 Rh1 Rh2 -2.0(6) . . . . ?
C17 C13 Rh1 C14 117.6(4) . . . . ?
C18 C13 Rh1 C14 -121.3(6) . . . . ?
C14 C13 Rh1 C17 -117.6(4) . . . . ?
C18 C13 Rh1 C17 121.1(6) . . . . ?
C14 C13 Rh1 C16 -80.3(3) . . . . ?
C17 C13 Rh1 C16 37.3(2) . . . . ?
C18 C13 Rh1 C16 158.4(5) . . . . ?
C14 C13 Rh1 C15 -37.3(3) . . . . ?
C17 C13 Rh1 C15 80.3(3) . . . . ?
C18 C13 Rh1 C15 -158.6(5) . . . . ?
C14 C13 Rh1 S1 97.0(3) . . . . ?
C17 C13 Rh1 S1 -145.4(2) . . . . ?
C18 C13 Rh1 S1 -24.3(5) . . . . ?
C14 C13 Rh1 S2 -175.7(2) . . . . ?
C17 C13 Rh1 S2 -58.1(3) . . . . ?
C18 C13 Rh1 S2 63.0(5) . . . . ?
C14 C13 Rh1 Cl1 2.6(4) . . . . ?
C17 C13 Rh1 Cl1 120.2(3) . . . . ?
C18 C13 Rh1 Cl1 -118.7(4) . . . . ?
C14 C13 Rh1 Rh2 113.8(3) . . . . ?
C17 C13 Rh1 Rh2 -128.6(2) . . . . ?
C18 C13 Rh1 Rh2 -7.5(6) . . . . ?
C16 C17 Rh1 C14 80.5(3) . . . . ?
C13 C17 Rh1 C14 -37.5(3) . . . . ?
C22 C17 Rh1 C14 -157.0(4) . . . . ?
C16 C17 Rh1 C13 118.0(4) . . . . ?
C22 C17 Rh1 C13 -119.5(5) . . . . ?
C13 C17 Rh1 C16 -118.0(4) . . . . ?
C22 C17 Rh1 C16 122.5(5) . . . . ?
C16 C17 Rh1 C15 38.8(3) . . . . ?
C13 C17 Rh1 C15 -79.2(3) . . . . ?
C22 C17 Rh1 C15 161.3(4) . . . . ?
C16 C17 Rh1 S1 164.2(2) . . . . ?
C13 C17 Rh1 S1 46.2(3) . . . . ?
C22 C17 Rh1 S1 -73.3(4) . . . . ?
C16 C17 Rh1 S2 -105.8(3) . . . . ?
C13 C17 Rh1 S2 136.2(2) . . . . ?
C22 C17 Rh1 S2 16.7(4) . . . . ?
C16 C17 Rh1 Cl1 -9.7(4) . . . . ?
C13 C17 Rh1 Cl1 -127.7(2) . . . . ?
C22 C17 Rh1 Cl1 112.7(4) . . . . ?
C16 C17 Rh1 Rh2 -121.9(3) . . . . ?
C13 C17 Rh1 Rh2 120.0(3) . . . . ?
C22 C17 Rh1 Rh2 0.5(5) . . . . ?
C17 C16 Rh1 C14 -80.9(3) . . . . ?
C15 C16 Rh1 C14 34.9(3) . . . . ?
C21 C16 Rh1 C14 156.0(6) . . . . ?
C17 C16 Rh1 C13 -38.2(3) . . . . ?
C15 C16 Rh1 C13 77.6(3) . . . . ?
C21 C16 Rh1 C13 -161.3(6) . . . . ?
C15 C16 Rh1 C17 115.8(4) . . . . ?
C21 C16 Rh1 C17 -123.1(6) . . . . ?
C17 C16 Rh1 C15 -115.8(4) . . . . ?
C21 C16 Rh1 C15 121.0(6) . . . . ?
C17 C16 Rh1 S1 -47.4(6) . . . . ?
C15 C16 Rh1 S1 68.5(6) . . . . ?
C21 C16 Rh1 S1 -170.5(4) . . . . ?
C17 C16 Rh1 S2 84.7(3) . . . . ?
C15 C16 Rh1 S2 -159.5(3) . . . . ?
C21 C16 Rh1 S2 -38.4(5) . . . . ?
C17 C16 Rh1 Cl1 174.3(2) . . . . ?
C15 C16 Rh1 Cl1 -69.9(3) . . . . ?
C21 C16 Rh1 Cl1 51.1(5) . . . . ?
C17 C16 Rh1 Rh2 127.1(3) . . . . ?
C15 C16 Rh1 Rh2 -117.1(3) . . . . ?
C21 C16 Rh1 Rh2 3.9(7) . . . . ?
C16 C15 Rh1 C14 -121.5(5) . . . . ?
C20 C15 Rh1 C14 122.2(6) . . . . ?
C14 C15 Rh1 C13 38.4(3) . . . . ?
C16 C15 Rh1 C13 -83.1(3) . . . . ?
C20 C15 Rh1 C13 160.6(5) . . . . ?
C14 C15 Rh1 C17 82.7(3) . . . . ?
C16 C15 Rh1 C17 -38.7(3) . . . . ?
C20 C15 Rh1 C17 -155.0(5) . . . . ?
C14 C15 Rh1 C16 121.5(5) . . . . ?
C20 C15 Rh1 C16 -116.3(6) . . . . ?
C14 C15 Rh1 S1 -37.0(4) . . . . ?
C16 C15 Rh1 S1 -158.5(2) . . . . ?
C20 C15 Rh1 S1 85.2(5) . . . . ?
C14 C15 Rh1 S2 155.4(3) . . . . ?
C16 C15 Rh1 S2 34.0(4) . . . . ?
C20 C15 Rh1 S2 -82.4(5) . . . . ?
C14 C15 Rh1 Cl1 -122.3(3) . . . . ?
C16 C15 Rh1 Cl1 116.3(3) . . . . ?
C20 C15 Rh1 Cl1 0.0(5) . . . . ?
C14 C15 Rh1 Rh2 -113.9(3) . . . . ?
C16 C15 Rh1 Rh2 124.6(3) . . . . ?
C20 C15 Rh1 Rh2 8.3(6) . . . . ?
Rh2 Cl1 Rh1 C14 140.56(16) . . . . ?
Rh2 Cl1 Rh1 C13 138.8(2) . . . . ?
Rh2 Cl1 Rh1 C17 -143.8(2) . . . . ?
Rh2 Cl1 Rh1 C16 -150.16(14) . . . . ?
Rh2 Cl1 Rh1 C15 173.89(14) . . . . ?
Rh2 Cl1 Rh1 S1 40.92(3) . . . . ?
Rh2 Cl1 Rh1 S2 -42.50(3) . . . . ?
O1 C1A Rh2 B8 20(5) . . . . ?
O1 C1A Rh2 P1 122(5) . . . . ?
O1 C1A Rh2 S1 3(5) . . . . ?
O1 C1A Rh2 S2 -58(5) . . . . ?
O1 C1A Rh2 Cl1 -140(4) . . . . ?
O1 C1A Rh2 Rh1 -88(5) . . . . ?
B12 B8 Rh2 C1A -100.7(3) . . . . ?
B9 B8 Rh2 C1A -164.3(3) . . . . ?
B7 B8 Rh2 C1A -48.7(4) . . . . ?
B5 B8 Rh2 C1A 143.0(4) . . . . ?
B12 B8 Rh2 P1 166.0(2) . . . . ?
B9 B8 Rh2 P1 102.4(2) . . . . ?
B7 B8 Rh2 P1 -141.9(3) . . . . ?
B5 B8 Rh2 P1 49.7(3) . . . . ?
B12 B8 Rh2 S1 75.3(2) . . . . ?
B9 B8 Rh2 S1 11.7(2) . . . . ?
B7 B8 Rh2 S1 127.4(3) . . . . ?
B5 B8 Rh2 S1 -41.0(3) . . . . ?
B12 B8 Rh2 S2 -8.8(2) . . . . ?
B9 B8 Rh2 S2 -72.4(2) . . . . ?
B7 B8 Rh2 S2 43.3(3) . . . . ?
B5 B8 Rh2 S2 -125.1(3) . . . . ?
B12 B8 Rh2 Cl1 33.2(4) . . . . ?
B9 B8 Rh2 Cl1 -30.4(4) . . . . ?
B7 B8 Rh2 Cl1 85.3(4) . . . . ?
B5 B8 Rh2 Cl1 -83.1(4) . . . . ?
B12 B8 Rh2 Rh1 33.8(2) . . . . ?
B9 B8 Rh2 Rh1 -29.7(3) . . . . ?
B7 B8 Rh2 Rh1 85.9(3) . . . . ?
B5 B8 Rh2 Rh1 -82.5(3) . . . . ?
C35 P1 Rh2 C1A -79.2(2) . . . . ?
C29 P1 Rh2 C1A 38.9(2) . . . . ?
C23 P1 Rh2 C1A 154.4(2) . . . . ?
C35 P1 Rh2 B8 11.8(2) . . . . ?
C29 P1 Rh2 B8 129.95(19) . . . . ?
C23 P1 Rh2 B8 -114.53(19) . . . . ?
C35 P1 Rh2 S1 89.26(16) . . . . ?
C29 P1 Rh2 S1 -152.62(15) . . . . ?
C23 P1 Rh2 S1 -37.10(16) . . . . ?
C35 P1 Rh2 S2 103.2(5) . . . . ?
C29 P1 Rh2 S2 -138.7(4) . . . . ?
C23 P1 Rh2 S2 -23.1(5) . . . . ?
C35 P1 Rh2 Cl1 171.80(16) . . . . ?
C29 P1 Rh2 Cl1 -70.07(15) . . . . ?
C23 P1 Rh2 Cl1 45.45(16) . . . . ?
C35 P1 Rh2 Rh1 127.77(16) . . . . ?
C29 P1 Rh2 Rh1 -114.11(15) . . . . ?
C23 P1 Rh2 Rh1 1.41(16) . . . . ?
Rh1 Cl1 Rh2 C1A 131.44(18) . . . . ?
Rh1 Cl1 Rh2 B8 0.8(3) . . . . ?
Rh1 Cl1 Rh2 P1 -132.93(4) . . . . ?
Rh1 Cl1 Rh2 S1 -40.42(3) . . . . ?
Rh1 Cl1 Rh2 S2 42.28(3) . . . . ?
C14 Rh1 Rh2 C1A -152.1(3) . . . . ?
C13 Rh1 Rh2 C1A 140.1(3) . . . . ?
C17 Rh1 Rh2 C1A 62.1(3) . . . . ?
C16 Rh1 Rh2 C1A -15.7(3) . . . . ?
C15 Rh1 Rh2 C1A -87.5(3) . . . . ?
S1 Rh1 Rh2 C1A 162.2(2) . . . . ?
S2 Rh1 Rh2 C1A 41.2(2) . . . . ?
Cl1 Rh1 Rh2 C1A -77.0(2) . . . . ?
C14 Rh1 Rh2 B8 105.3(2) . . . . ?
C13 Rh1 Rh2 B8 37.5(3) . . . . ?
C17 Rh1 Rh2 B8 -40.5(2) . . . . ?
C16 Rh1 Rh2 B8 -118.3(3) . . . . ?
C15 Rh1 Rh2 B8 169.9(3) . . . . ?
S1 Rh1 Rh2 B8 59.56(13) . . . . ?
S2 Rh1 Rh2 B8 -61.45(13) . . . . ?
Cl1 Rh1 Rh2 B8 -179.63(13) . . . . ?
C14 Rh1 Rh2 P1 -10.5(2) . . . . ?
C13 Rh1 Rh2 P1 -78.3(2) . . . . ?
C17 Rh1 Rh2 P1 -156.2(2) . . . . ?
C16 Rh1 Rh2 P1 125.9(3) . . . . ?
C15 Rh1 Rh2 P1 54.1(2) . . . . ?
S1 Rh1 Rh2 P1 -56.19(5) . . . . ?
S2 Rh1 Rh2 P1 -177.20(5) . . . . ?
Cl1 Rh1 Rh2 P1 64.62(5) . . . . ?
C14 Rh1 Rh2 S1 45.7(2) . . . . ?
C13 Rh1 Rh2 S1 -22.1(2) . . . . ?
C17 Rh1 Rh2 S1 -100.0(2) . . . . ?
C16 Rh1 Rh2 S1 -177.9(3) . . . . ?
C15 Rh1 Rh2 S1 110.3(2) . . . . ?
S2 Rh1 Rh2 S1 -121.01(5) . . . . ?
Cl1 Rh1 Rh2 S1 120.81(5) . . . . ?
C14 Rh1 Rh2 S2 166.7(2) . . . . ?
C13 Rh1 Rh2 S2 98.9(2) . . . . ?
C17 Rh1 Rh2 S2 21.0(2) . . . . ?
C16 Rh1 Rh2 S2 -56.9(3) . . . . ?
C15 Rh1 Rh2 S2 -128.7(2) . . . . ?
S1 Rh1 Rh2 S2 121.01(5) . . . . ?
Cl1 Rh1 Rh2 S2 -118.18(5) . . . . ?
C14 Rh1 Rh2 Cl1 -75.1(2) . . . . ?
C13 Rh1 Rh2 Cl1 -142.9(2) . . . . ?
C17 Rh1 Rh2 Cl1 139.2(2) . . . . ?
C16 Rh1 Rh2 Cl1 61.3(3) . . . . ?
C15 Rh1 Rh2 Cl1 -10.5(2) . . . . ?
S1 Rh1 Rh2 Cl1 -120.81(5) . . . . ?
S2 Rh1 Rh2 Cl1 118.18(5) . . . . ?
B4 B9 S1 Rh1 -119.1(5) . . . . ?
B8 B9 S1 Rh1 92.4(3) . . . . ?
B5 B9 S1 Rh1 160.0(3) . . . . ?
B10 B9 S1 Rh1 -34.9(4) . . . . ?
B12 B9 S1 Rh1 32.1(3) . . . . ?
B4 B9 S1 Rh2 161.7(5) . . . . ?
B8 B9 S1 Rh2 13.2(2) . . . . ?
B5 B9 S1 Rh2 80.8(3) . . . . ?
B10 B9 S1 Rh2 -114.1(4) . . . . ?
B12 B9 S1 Rh2 -47.1(3) . . . . ?
C14 Rh1 S1 B9 127.2(2) . . . . ?
C13 Rh1 S1 B9 88.1(2) . . . . ?
C17 Rh1 S1 B9 60.4(2) . . . . ?
C16 Rh1 S1 B9 96.5(5) . . . . ?
C15 Rh1 S1 B9 149.1(2) . . . . ?
S2 Rh1 S1 B9 -38.34(16) . . . . ?
Cl1 Rh1 S1 B9 -122.98(16) . . . . ?
Rh2 Rh1 S1 B9 -79.52(16) . . . . ?
C14 Rh1 S1 Rh2 -153.31(14) . . . . ?
C13 Rh1 S1 Rh2 167.63(13) . . . . ?
C17 Rh1 S1 Rh2 139.96(15) . . . . ?
C16 Rh1 S1 Rh2 176.0(5) . . . . ?
C15 Rh1 S1 Rh2 -131.39(19) . . . . ?
S2 Rh1 S1 Rh2 41.18(3) . . . . ?
Cl1 Rh1 S1 Rh2 -43.46(3) . . . . ?
C1A Rh2 S1 B9 6.7(7) . . . . ?
B8 Rh2 S1 B9 -11.0(2) . . . . ?
P1 Rh2 S1 B9 -112.72(16) . . . . ?
S2 Rh2 S1 B9 68.52(16) . . . . ?
Cl1 Rh2 S1 B9 150.79(16) . . . . ?
Rh1 Rh2 S1 B9 109.32(16) . . . . ?
C1A Rh2 S1 Rh1 -102.7(7) . . . . ?
B8 Rh2 S1 Rh1 -120.29(13) . . . . ?
P1 Rh2 S1 Rh1 137.96(4) . . . . ?
S2 Rh2 S1 Rh1 -40.80(3) . . . . ?
Cl1 Rh2 S1 Rh1 41.46(3) . . . . ?
B11 B12 S2 Rh1 121.8(4) . . . . ?
B7 B12 S2 Rh1 -156.2(3) . . . . ?
B8 B12 S2 Rh1 -87.8(3) . . . . ?
B10 B12 S2 Rh1 39.6(4) . . . . ?
B9 B12 S2 Rh1 -26.4(3) . . . . ?
B11 B12 S2 Rh2 -160.5(5) . . . . ?
B7 B12 S2 Rh2 -78.4(4) . . . . ?
B8 B12 S2 Rh2 -10.1(2) . . . . ?
B10 B12 S2 Rh2 117.4(4) . . . . ?
B9 B12 S2 Rh2 51.3(3) . . . . ?
C14 Rh1 S2 B12 -68.5(6) . . . . ?
C13 Rh1 S2 B12 -58.0(2) . . . . ?
C17 Rh1 S2 B12 -91.5(2) . . . . ?
C16 Rh1 S2 B12 -130.8(2) . . . . ?
C15 Rh1 S2 B12 -152.4(3) . . . . ?
S1 Rh1 S2 B12 36.77(18) . . . . ?
Cl1 Rh1 S2 B12 122.82(18) . . . . ?
Rh2 Rh1 S2 B12 77.80(18) . . . . ?
C14 Rh1 S2 Rh2 -146.3(6) . . . . ?
C13 Rh1 S2 Rh2 -135.82(15) . . . . ?
C17 Rh1 S2 Rh2 -169.29(11) . . . . ?
C16 Rh1 S2 Rh2 151.42(14) . . . . ?
C15 Rh1 S2 Rh2 129.8(2) . . . . ?
S1 Rh1 S2 Rh2 -41.03(3) . . . . ?
Cl1 Rh1 S2 Rh2 45.02(3) . . . . ?
C1A Rh2 S2 B12 98.2(2) . . . . ?
B8 Rh2 S2 B12 8.23(19) . . . . ?
P1 Rh2 S2 B12 -84.2(5) . . . . ?
S1 Rh2 S2 B12 -70.16(15) . . . . ?
Cl1 Rh2 S2 B12 -153.49(15) . . . . ?
Rh1 Rh2 S2 B12 -110.55(15) . . . . ?
C1A Rh2 S2 Rh1 -151.27(17) . . . . ?
B8 Rh2 S2 Rh1 118.78(12) . . . . ?
P1 Rh2 S2 Rh1 26.3(4) . . . . ?
S1 Rh2 S2 Rh1 40.39(3) . . . . ?
Cl1 Rh2 S2 Rh1 -42.94(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        27.54
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.861
_refine_diff_density_min         -0.818
_refine_diff_density_rms         0.187
_database_code_depnum_ccdc_archive 'CCDC 996712'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_20120503

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C12 H25 B10 F0 P0 Rh S2'
_chemical_formula_weight         444.45

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'
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'
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           Orthorhombic
_symmetry_space_group_name_H-M   Pbca

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

_cell_length_a                   11.7502(18)
_cell_length_b                   12.940(2)
_cell_length_c                   26.299(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3998.7(11)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.477
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1792
_exptl_absorpt_coefficient_mu    1.055
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            28883
_diffrn_reflns_av_R_equivalents  0.0590
_diffrn_reflns_av_sigmaI/netI    0.0371
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         1.55
_diffrn_reflns_theta_max         25.99
_reflns_number_total             3925
_reflns_number_gt                3498
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0762P)²+0.9743P] 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         3925
_refine_ls_number_parameters     231
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0363
_refine_ls_wR_factor_ref         0.1077
_refine_ls_wR_factor_gt          0.1039
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.084516(17) 0.123687(16) 0.651978(7) 0.02543(12) Uani 1 1 d . . .
S1 S 0.00996(6) 0.28435(5) 0.66736(2) 0.03272(18) Uani 1 1 d . . .
S2 S 0.00070(6) 0.10124(5) 0.57339(2) 0.03011(17) Uani 1 1 d . . .
B12 B -0.0961(2) 0.2125(2) 0.56669(11) 0.0254(6) Uani 1 1 d . . .
C16 C 0.1865(2) -0.0166(2) 0.65169(9) 0.0325(6) Uani 1 1 d . . .
B9 B -0.0913(2) 0.3067(2) 0.61523(11) 0.0261(6) Uani 1 1 d . . .
C14 C 0.2188(2) 0.1195(2) 0.70818(10) 0.0341(6) Uani 1 1 d . . .
B11 B -0.2386(3) 0.2072(2) 0.54289(12) 0.0371(7) Uani 1 1 d . . .
H11 H -0.2759 0.1356 0.5277 0.044 Uiso 1 1 calc R . .
C17 C 0.1033(2) -0.0205(2) 0.69055(11) 0.0356(6) Uani 1 1 d . . .
B4 B -0.2304(3) 0.3600(3) 0.62190(14) 0.0386(7) Uani 1 1 d . . .
H4 H -0.2621 0.3885 0.6587 0.046 Uiso 1 1 calc R . .
B10 B -0.2154(2) 0.2264(2) 0.60861(12) 0.0341(6) Uani 1 1 d . . .
H10 H -0.2378 0.1668 0.6367 0.041 Uiso 1 1 calc R . .
B7 B -0.1323(3) 0.2761(2) 0.50864(11) 0.0342(6) Uani 1 1 d . . .
H7 H -0.1013 0.2487 0.4716 0.041 Uiso 1 1 calc R . .
C18 C 0.0610(3) 0.0789(3) 0.77406(12) 0.0549(9) Uani 1 1 d . . .
H18A H 0.0941 0.0380 0.8007 0.082 Uiso 1 1 calc R . .
H18B H -0.0170 0.0589 0.7693 0.082 Uiso 1 1 calc R . .
H18C H 0.0644 0.1506 0.7832 0.082 Uiso 1 1 calc R . .
B5 B -0.1258(3) 0.4294(2) 0.58727(12) 0.0336(6) Uani 1 1 d . . .
H5 H -0.0906 0.5025 0.6017 0.040 Uiso 1 1 calc R . .
C13 C 0.1245(2) 0.0622(2) 0.72636(9) 0.0345(6) Uani 1 1 d . . .
B3 B -0.3215(3) 0.2977(3) 0.57740(14) 0.0436(8) Uani 1 1 d . . .
H3 H -0.4128 0.2862 0.5846 0.052 Uiso 1 1 calc R . .
B8 B -0.0428(3) 0.3393(2) 0.55262(11) 0.0289(6) Uani 1 1 d . . .
H8 H 0.0476 0.3533 0.5443 0.035 Uiso 1 1 calc R . .
C19 C 0.2692(3) 0.2131(3) 0.73322(12) 0.0525(8) Uani 1 1 d . . .
H19A H 0.2111 0.2491 0.7518 0.079 Uiso 1 1 calc R . .
H19B H 0.3005 0.2580 0.7077 0.079 Uiso 1 1 calc R . .
H19C H 0.3284 0.1921 0.7562 0.079 Uiso 1 1 calc R . .
B6 B -0.1502(3) 0.4102(2) 0.52168(12) 0.0366(7) Uani 1 1 d . . .
H6 H -0.1321 0.4703 0.4932 0.044 Uiso 1 1 calc R . .
C1 C -0.2592(2) 0.4143(2) 0.56456(10) 0.0391(6) Uani 1 1 d . . .
H1 H -0.3153 0.4824 0.5636 0.047 Uiso 1 1 calc R . .
C2 C -0.2635(2) 0.3275(2) 0.51972(10) 0.0394(6) Uani 1 1 d . . .
H2 H -0.3222 0.3352 0.4874 0.047 Uiso 1 1 calc R . .
C21 C 0.1994(3) -0.0891(2) 0.60769(12) 0.0502(8) Uani 1 1 d . . .
H21A H 0.2552 -0.1408 0.6158 0.075 Uiso 1 1 calc R . .
H21B H 0.2236 -0.0512 0.5782 0.075 Uiso 1 1 calc R . .
H21C H 0.1277 -0.1218 0.6008 0.075 Uiso 1 1 calc R . .
C15 C 0.2558(2) 0.0722(2) 0.66140(9) 0.0324(6) Uani 1 1 d . . .
C22 C 0.0092(3) -0.0976(3) 0.69638(14) 0.0523(8) Uani 1 1 d . . .
H22A H 0.0018 -0.1369 0.6656 0.078 Uiso 1 1 calc R . .
H22B H -0.0609 -0.0621 0.7032 0.078 Uiso 1 1 calc R . .
H22C H 0.0263 -0.1433 0.7241 0.078 Uiso 1 1 calc R . .
C20 C 0.3531(3) 0.1057(3) 0.62910(12) 0.0508(8) Uani 1 1 d . . .
H20A H 0.4160 0.0594 0.6340 0.076 Uiso 1 1 calc R . .
H20B H 0.3754 0.1745 0.6385 0.076 Uiso 1 1 calc R . .
H20C H 0.3306 0.1048 0.5940 0.076 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 C15 2.135(3) . ?
Rh1 C17 2.135(3) . ?
Rh1 C14 2.162(3) . ?
Rh1 C13 2.163(2) . ?
Rh1 C16 2.175(3) . ?
Rh1 S1 2.2920(7) . ?
Rh1 S2 2.3079(7) . ?
S1 B9 1.838(3) . ?
S2 B12 1.843(3) . ?
B12 B9 1.766(4) . ?
B12 B7 1.786(4) . ?
B12 B11 1.789(4) . ?
B12 B10 1.793(4) . ?
B12 B8 1.794(4) . ?
C16 C17 1.415(4) . ?
C16 C15 1.431(4) . ?
C16 C21 1.497(4) . ?
B9 B4 1.783(4) . ?
B9 B8 1.792(4) . ?
B9 B5 1.796(4) . ?
B9 B10 1.800(4) . ?
C14 C13 1.416(4) . ?
C14 C15 1.442(4) . ?
C14 C19 1.500(4) . ?
B11 C2 1.697(4) . ?
B11 B10 1.767(4) . ?
B11 B3 1.773(5) . ?
B11 B7 1.779(5) . ?
C17 C13 1.447(4) . ?
C17 C22 1.498(4) . ?
B4 C1 1.698(4) . ?
B4 B5 1.773(5) . ?
B4 B10 1.773(5) . ?
B4 B3 1.779(5) . ?
B10 B3 1.755(4) . ?
B7 C2 1.703(4) . ?
B7 B8 1.764(4) . ?
B7 B6 1.781(4) . ?
C18 C13 1.476(4) . ?
B5 C1 1.689(4) . ?
B5 B6 1.766(4) . ?
B5 B8 1.772(4) . ?
B3 C2 1.707(5) . ?
B3 C1 1.710(5) . ?
B8 B6 1.759(4) . ?
B6 C1 1.708(4) . ?
B6 C2 1.709(4) . ?
C1 C2 1.630(4) . ?
C15 C20 1.489(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C15 Rh1 C17 64.81(10) . . ?
C15 Rh1 C14 39.20(10) . . ?
C17 Rh1 C14 65.04(10) . . ?
C15 Rh1 C13 64.87(9) . . ?
C17 Rh1 C13 39.34(11) . . ?
C14 Rh1 C13 38.21(10) . . ?
C15 Rh1 C16 38.77(11) . . ?
C17 Rh1 C16 38.31(10) . . ?
C14 Rh1 C16 65.15(10) . . ?
C13 Rh1 C16 64.94(10) . . ?
C15 Rh1 S1 128.54(8) . . ?
C17 Rh1 S1 138.45(8) . . ?
C14 Rh1 S1 100.41(7) . . ?
C13 Rh1 S1 104.90(8) . . ?
C16 Rh1 S1 165.50(7) . . ?
C15 Rh1 S2 117.84(7) . . ?
C17 Rh1 S2 111.08(8) . . ?
C14 Rh1 S2 156.98(8) . . ?
C13 Rh1 S2 148.89(8) . . ?
C16 Rh1 S2 97.29(7) . . ?
S1 Rh1 S2 96.27(2) . . ?
B9 S1 Rh1 104.99(9) . . ?
B12 S2 Rh1 104.51(9) . . ?
B9 B12 B7 107.9(2) . . ?
B9 B12 B11 108.02(19) . . ?
B7 B12 B11 59.70(17) . . ?
B9 B12 B10 60.76(16) . . ?
B7 B12 B10 107.1(2) . . ?
B11 B12 B10 59.14(16) . . ?
B9 B12 B8 60.45(16) . . ?
B7 B12 B8 59.03(16) . . ?
B11 B12 B8 106.8(2) . . ?
B10 B12 B8 108.0(2) . . ?
B9 B12 S2 116.77(16) . . ?
B7 B12 S2 126.07(19) . . ?
B11 B12 S2 125.51(19) . . ?
B10 B12 S2 120.12(19) . . ?
B8 B12 S2 121.25(18) . . ?
C17 C16 C15 107.0(2) . . ?
C17 C16 C21 127.3(3) . . ?
C15 C16 C21 125.7(3) . . ?
C17 C16 Rh1 69.32(15) . . ?
C15 C16 Rh1 69.08(15) . . ?
C21 C16 Rh1 125.54(18) . . ?
B12 B9 B4 107.99(19) . . ?
B12 B9 B8 60.55(16) . . ?
B4 B9 B8 106.9(2) . . ?
B12 B9 B5 107.9(2) . . ?
B4 B9 B5 59.41(17) . . ?
B8 B9 B5 59.20(17) . . ?
B12 B9 B10 60.35(16) . . ?
B4 B9 B10 59.34(16) . . ?
B8 B9 B10 107.7(2) . . ?
B5 B9 B10 106.7(2) . . ?
B12 B9 S1 116.81(17) . . ?
B4 B9 S1 125.5(2) . . ?
B8 B9 S1 121.11(17) . . ?
B5 B9 S1 126.23(19) . . ?
B10 B9 S1 120.36(19) . . ?
C13 C14 C15 107.5(2) . . ?
C13 C14 C19 125.7(3) . . ?
C15 C14 C19 126.7(3) . . ?
C13 C14 Rh1 70.93(15) . . ?
C15 C14 Rh1 69.36(15) . . ?
C19 C14 Rh1 124.63(19) . . ?
C2 B11 B10 104.4(2) . . ?
C2 B11 B3 58.88(18) . . ?
B10 B11 B3 59.42(18) . . ?
C2 B11 B7 58.63(17) . . ?
B10 B11 B7 108.5(2) . . ?
B3 B11 B7 108.3(2) . . ?
C2 B11 B12 104.6(2) . . ?
B10 B11 B12 60.55(16) . . ?
B3 B11 B12 108.0(2) . . ?
B7 B11 B12 60.07(17) . . ?
C16 C17 C13 108.9(2) . . ?
C16 C17 C22 127.4(3) . . ?
C13 C17 C22 123.6(3) . . ?
C16 C17 Rh1 72.37(15) . . ?
C13 C17 Rh1 71.37(15) . . ?
C22 C17 Rh1 123.7(2) . . ?
C1 B4 B5 58.18(18) . . ?
C1 B4 B10 104.4(2) . . ?
B5 B4 B10 108.9(2) . . ?
C1 B4 B3 58.87(19) . . ?
B5 B4 B3 108.0(2) . . ?
B10 B4 B3 59.21(18) . . ?
C1 B4 B9 104.8(2) . . ?
B5 B4 B9 60.66(17) . . ?
B10 B4 B9 60.81(16) . . ?
B3 B4 B9 108.1(2) . . ?
B3 B10 B11 60.47(19) . . ?
B3 B10 B4 60.55(19) . . ?
B11 B10 B4 108.3(2) . . ?
B3 B10 B12 108.7(2) . . ?
B11 B10 B12 60.31(17) . . ?
B4 B10 B12 107.2(2) . . ?
B3 B10 B9 108.5(2) . . ?
B11 B10 B9 107.5(2) . . ?
B4 B10 B9 59.85(17) . . ?
B12 B10 B9 58.89(16) . . ?
C2 B7 B8 104.3(2) . . ?
C2 B7 B11 58.26(18) . . ?
B8 B7 B11 108.6(2) . . ?
C2 B7 B6 58.69(17) . . ?
B8 B7 B6 59.51(17) . . ?
B11 B7 B6 107.9(2) . . ?
C2 B7 B12 104.4(2) . . ?
B8 B7 B12 60.73(16) . . ?
B11 B7 B12 60.22(16) . . ?
B6 B7 B12 108.2(2) . . ?
C1 B5 B6 59.20(18) . . ?
C1 B5 B8 104.7(2) . . ?
B6 B5 B8 59.64(17) . . ?
C1 B5 B4 58.66(18) . . ?
B6 B5 B4 108.6(2) . . ?
B8 B5 B4 108.2(2) . . ?
C1 B5 B9 104.6(2) . . ?
B6 B5 B9 108.2(2) . . ?
B8 B5 B9 60.30(16) . . ?
B4 B5 B9 59.93(17) . . ?
C14 C13 C17 107.6(2) . . ?
C14 C13 C18 127.3(3) . . ?
C17 C13 C18 125.0(3) . . ?
C14 C13 Rh1 70.86(14) . . ?
C17 C13 Rh1 69.28(14) . . ?
C18 C13 Rh1 127.2(2) . . ?
C2 B3 C1 56.97(17) . . ?
C2 B3 B10 104.5(2) . . ?
C1 B3 B10 104.7(2) . . ?
C2 B3 B11 58.31(18) . . ?
C1 B3 B11 104.3(2) . . ?
B10 B3 B11 60.11(18) . . ?
C2 B3 B4 104.0(2) . . ?
C1 B3 B4 58.19(18) . . ?
B10 B3 B4 60.24(18) . . ?
B11 B3 B4 107.8(2) . . ?
B6 B8 B7 60.73(17) . . ?
B6 B8 B5 60.00(17) . . ?
B7 B8 B5 108.3(2) . . ?
B6 B8 B9 108.6(2) . . ?
B7 B8 B9 107.7(2) . . ?
B5 B8 B9 60.50(17) . . ?
B6 B8 B12 108.8(2) . . ?
B7 B8 B12 60.24(16) . . ?
B5 B8 B12 107.7(2) . . ?
B9 B8 B12 59.00(16) . . ?
C1 B6 C2 56.97(17) . . ?
C1 B6 B8 104.4(2) . . ?
C2 B6 B8 104.2(2) . . ?
C1 B6 B5 58.15(17) . . ?
C2 B6 B5 104.1(2) . . ?
B8 B6 B5 60.36(17) . . ?
C1 B6 B7 104.2(2) . . ?
C2 B6 B7 58.38(17) . . ?
B8 B6 B7 59.76(17) . . ?
B5 B6 B7 107.8(2) . . ?
C2 C1 B5 111.3(2) . . ?
C2 C1 B4 111.3(2) . . ?
B5 C1 B4 63.16(18) . . ?
C2 C1 B6 61.54(18) . . ?
B5 C1 B6 62.65(18) . . ?
B4 C1 B6 115.1(2) . . ?
C2 C1 B3 61.42(19) . . ?
B5 C1 B3 115.4(2) . . ?
B4 C1 B3 62.94(19) . . ?
B6 C1 B3 115.1(2) . . ?
C1 C2 B11 111.6(2) . . ?
C1 C2 B7 111.4(2) . . ?
B11 C2 B7 63.11(18) . . ?
C1 C2 B3 61.61(19) . . ?
B11 C2 B3 62.81(19) . . ?
B7 C2 B3 115.2(2) . . ?
C1 C2 B6 61.48(18) . . ?
B11 C2 B6 115.4(2) . . ?
B7 C2 B6 62.93(18) . . ?
B3 C2 B6 115.2(2) . . ?
C16 C15 C14 108.8(2) . . ?
C16 C15 C20 124.7(3) . . ?
C14 C15 C20 126.5(3) . . ?
C16 C15 Rh1 72.15(16) . . ?
C14 C15 Rh1 71.44(15) . . ?
C20 C15 Rh1 124.55(19) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.99
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.882
_refine_diff_density_min         -1.953
_refine_diff_density_rms         0.104
_database_code_depnum_ccdc_archive 'CCDC 996713'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_20120705C

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H55 B10 F6 P3 Rh2 S2'
_chemical_formula_weight         1216.87

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'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/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                   25.340(3)
_cell_length_b                   20.953(2)
_cell_length_c                   22.865(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.648(3)
_cell_angle_gamma                90.00
_cell_volume                     12116(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    291(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.334
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4912
_exptl_absorpt_coefficient_mu    0.742
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.901
_exptl_absorpt_correction_T_max  0.915
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      291(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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            71768
_diffrn_reflns_av_R_equivalents  0.0260
_diffrn_reflns_av_sigmaI/netI    0.0546
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         0.81
_diffrn_reflns_theta_max         26.00
_reflns_number_total             23803
_reflns_number_gt                16988
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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           fullcycle
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0700P)²+1.9900P] 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         23803
_refine_ls_number_parameters     1277
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0590
_refine_ls_R_factor_gt           0.0521
_refine_ls_wR_factor_ref         0.1305
_refine_ls_wR_factor_gt          0.1291
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.042
_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
B3 B 0.9042(2) 0.3198(2) 0.4253(2) 0.0467(13) Uani 1 1 d . . .
H3 H 0.9434 0.3057 0.4117 0.056 Uiso 1 1 d R . .
B4 B 0.8565(2) 0.3673(2) 0.3794(2) 0.0434(12) Uani 1 1 d . . .
H4 H 0.8661 0.3827 0.3353 0.052 Uiso 1 1 d R . .
B5 B 0.8187(2) 0.4167(2) 0.4267(2) 0.0473(13) Uani 1 1 d . . .
H5 H 0.8038 0.4637 0.4118 0.057 Uiso 1 1 d R . .
B6 B 0.8416(2) 0.4030(2) 0.5015(3) 0.0483(13) Uani 1 1 d . . .
H6 H 0.8421 0.4407 0.5350 0.058 Uiso 1 1 d R . .
B7 B 0.8278(2) 0.3206(2) 0.5175(2) 0.0438(12) Uani 1 1 d . . .
H7 H 0.8189 0.3049 0.5617 0.053 Uiso 1 1 d R . .
B8 B 0.7827(2) 0.3672(2) 0.4711(2) 0.0410(12) Uani 1 1 d . . .
H8 H 0.7441 0.3818 0.4860 0.049 Uiso 1 1 d R . .
B9 B 0.79343(18) 0.3447(2) 0.3975(2) 0.0371(11) Uani 1 1 d . . .
B10 B 0.84494(18) 0.2874(2) 0.3975(2) 0.0369(11) Uani 1 1 d . . .
H10 H 0.8458 0.2495 0.3643 0.044 Uiso 1 1 d R . .
B11 B 0.86623(19) 0.2695(3) 0.4724(2) 0.0432(12) Uani 1 1 d . . .
H11 H 0.8813 0.2228 0.4879 0.052 Uiso 1 1 d R . .
B12 B 0.79799(18) 0.2858(2) 0.4511(2) 0.0317(10) Uani 1 1 d . . .
B13 B 0.8434(2) 0.5984(2) 0.4808(3) 0.0504(13) Uani 1 1 d . . .
H13 H 0.8438 0.5600 0.4480 0.061 Uiso 1 1 d R . .
B14 B 0.8308(2) 0.6807(2) 0.4620(2) 0.0434(12) Uani 1 1 d . . .
H14 H 0.8224 0.6949 0.4160 0.052 Uiso 1 1 d R . .
B15 B 0.8684(2) 0.7313(2) 0.5123(2) 0.0403(11) Uani 1 1 d . . .
H15 H 0.8836 0.7781 0.4993 0.048 Uiso 1 1 d R . .
B16 B 0.9040(2) 0.6817(3) 0.5608(2) 0.0472(13) Uani 1 1 d . . .
H16 H 0.9437 0.6951 0.5790 0.057 Uiso 1 1 d R . .
B17 B 0.8581(2) 0.6360(2) 0.6026(2) 0.0459(12) Uani 1 1 d . . .
H17 H 0.8668 0.6205 0.6481 0.055 Uiso 1 1 d R . .
B18 B 0.84705(17) 0.7179(2) 0.5830(2) 0.0356(10) Uani 1 1 d . . .
H18 H 0.8488 0.7552 0.6170 0.043 Uiso 1 1 d R . .
B19 B 0.80058(19) 0.7174(2) 0.5201(2) 0.0351(10) Uani 1 1 d . . .
B20 B 0.7850(2) 0.6363(2) 0.4997(2) 0.0422(12) Uani 1 1 d . . .
H20 H 0.7464 0.6221 0.4791 0.051 Uiso 1 1 d R . .
B21 B 0.8221(2) 0.5861(2) 0.5496(2) 0.0469(13) Uani 1 1 d . . .
H21 H 0.8077 0.5388 0.5621 0.056 Uiso 1 1 d R . .
B22 B 0.79363(19) 0.6607(2) 0.5751(2) 0.0362(10) Uani 1 1 d . . .
C1 C 0.88453(18) 0.3966(2) 0.4447(2) 0.0494(11) Uani 1 1 d . . .
H1 H 0.9149 0.4338 0.4424 0.059 Uiso 1 1 d R . .
C2 C 0.88823(18) 0.3444(2) 0.4962(2) 0.0483(11) Uani 1 1 d . . .
H2 H 0.9207 0.3467 0.5303 0.058 Uiso 1 1 d R . .
C13 C 0.60211(17) 0.2459(2) 0.4426(2) 0.0436(10) Uani 1 1 d . . .
C14 C 0.58700(16) 0.2635(2) 0.3832(2) 0.0465(11) Uani 1 1 d . . .
C15 C 0.59502(16) 0.3300(2) 0.3799(2) 0.0452(11) Uani 1 1 d . . .
C16 C 0.61607(17) 0.3531(2) 0.4355(2) 0.0483(11) Uani 1 1 d . . .
C17 C 0.61942(17) 0.2989(2) 0.4750(2) 0.0482(11) Uani 1 1 d . . .
C18 C 0.5939(2) 0.1782(2) 0.4667(2) 0.0646(14) Uani 1 1 d . . .
H18A H 0.6249 0.1652 0.4898 0.097 Uiso 1 1 calc R . .
H18B H 0.5874 0.1491 0.4346 0.097 Uiso 1 1 calc R . .
H18C H 0.5641 0.1782 0.4906 0.097 Uiso 1 1 calc R . .
C19 C 0.56582(18) 0.2194(2) 0.3367(2) 0.0584(14) Uani 1 1 d . . .
H19A H 0.5558 0.2434 0.3019 0.088 Uiso 1 1 calc R . .
H19B H 0.5355 0.1975 0.3498 0.088 Uiso 1 1 calc R . .
H19C H 0.5925 0.1889 0.3281 0.088 Uiso 1 1 calc R . .
C20 C 0.5806(2) 0.3711(3) 0.3271(3) 0.0694(16) Uani 1 1 d . . .
H20A H 0.6085 0.4011 0.3217 0.104 Uiso 1 1 calc R . .
H20B H 0.5484 0.3937 0.3329 0.104 Uiso 1 1 calc R . .
H20C H 0.5758 0.3445 0.2929 0.104 Uiso 1 1 calc R . .
C21 C 0.6276(2) 0.4213(2) 0.4523(3) 0.0711(16) Uani 1 1 d . . .
H21A H 0.6541 0.4381 0.4284 0.107 Uiso 1 1 calc R . .
H21B H 0.6401 0.4232 0.4928 0.107 Uiso 1 1 calc R . .
H21C H 0.5958 0.4461 0.4465 0.107 Uiso 1 1 calc R . .
C22 C 0.6489(2) 0.2936(2) 0.5416(2) 0.0623(15) Uani 1 1 d . . .
H22A H 0.6432 0.2519 0.5573 0.093 Uiso 1 1 calc R . .
H22B H 0.6345 0.3252 0.5665 0.093 Uiso 1 1 calc R . .
H22C H 0.6862 0.3008 0.5396 0.093 Uiso 1 1 calc R . .
C23 C 0.66618(10) 0.28033(13) 0.21335(13) 0.0447(11) Uani 1 1 d G . .
C24 C 0.61785(12) 0.25473(11) 0.19295(14) 0.0551(13) Uani 1 1 d G . .
H24 H 0.6122 0.2110 0.1949 0.066 Uiso 1 1 calc R . .
C25 C 0.57799(10) 0.29458(16) 0.16968(15) 0.0683(16) Uani 1 1 d G . .
H25 H 0.5457 0.2775 0.1560 0.082 Uiso 1 1 calc R . .
C26 C 0.58646(11) 0.36001(15) 0.16679(14) 0.0563(13) Uani 1 1 d G . .
H26 H 0.5598 0.3867 0.1512 0.068 Uiso 1 1 calc R . .
C27 C 0.63478(13) 0.38561(11) 0.18719(14) 0.0588(13) Uani 1 1 d G . .
H27 H 0.6404 0.4294 0.1853 0.071 Uiso 1 1 calc R . .
C28 C 0.67464(10) 0.34576(14) 0.21047(13) 0.0552(13) Uani 1 1 d G . .
H28 H 0.7070 0.3629 0.2241 0.066 Uiso 1 1 calc R . .
C29 C 0.70685(17) 0.15373(19) 0.20155(17) 0.0375(9) Uani 1 1 d . . .
C30 C 0.73241(19) 0.1322(2) 0.15304(19) 0.0460(11) Uani 1 1 d . . .
H30 H 0.7588 0.1563 0.1371 0.055 Uiso 1 1 calc R . .
C31 C 0.7170(2) 0.0731(2) 0.1293(2) 0.0507(12) Uani 1 1 d . . .
H31 H 0.7338 0.0586 0.0969 0.061 Uiso 1 1 calc R . .
C32 C 0.6808(2) 0.0374(2) 0.1496(2) 0.0603(14) Uani 1 1 d . . .
H32 H 0.6722 -0.0017 0.1322 0.072 Uiso 1 1 calc R . .
C33 C 0.6545(2) 0.0590(2) 0.1985(2) 0.0631(15) Uani 1 1 d . . .
H33 H 0.6285 0.0336 0.2136 0.076 Uiso 1 1 calc R . .
C34 C 0.66665(18) 0.1164(2) 0.2240(2) 0.0492(11) Uani 1 1 d . . .
H34 H 0.6486 0.1307 0.2557 0.059 Uiso 1 1 calc R . .
C35 C 0.77372(16) 0.26727(18) 0.19893(18) 0.0355(9) Uani 1 1 d . . .
C36 C 0.82050(19) 0.2865(2) 0.22846(19) 0.0478(12) Uani 1 1 d . . .
H36 H 0.8267 0.2768 0.2680 0.057 Uiso 1 1 calc R . .
C37 C 0.8589(2) 0.3208(2) 0.1989(2) 0.0568(13) Uani 1 1 d . . .
H37 H 0.8903 0.3336 0.2189 0.068 Uiso 1 1 calc R . .
C38 C 0.8497(2) 0.3349(3) 0.1413(2) 0.0730(17) Uani 1 1 d . . .
H38 H 0.8745 0.3584 0.1222 0.088 Uiso 1 1 calc R . .
C39 C 0.8032(2) 0.3146(3) 0.1100(2) 0.0644(15) Uani 1 1 d . . .
H39 H 0.7982 0.3227 0.0701 0.077 Uiso 1 1 calc R . .
C40 C 0.76526(19) 0.2826(2) 0.13895(18) 0.0425(10) Uani 1 1 d . . .
H40 H 0.7337 0.2710 0.1188 0.051 Uiso 1 1 calc R . .
C41 C 0.79847(16) 0.0826(2) 0.28068(18) 0.0397(10) Uani 1 1 d . . .
C42 C 0.78903(18) 0.0217(2) 0.2601(2) 0.0510(12) Uani 1 1 d . . .
H42 H 0.7647 -0.0040 0.2777 0.061 Uiso 1 1 calc R . .
C43 C 0.8165(2) -0.0025(3) 0.2117(2) 0.0739(16) Uani 1 1 d . . .
H43 H 0.8094 -0.0437 0.1983 0.089 Uiso 1 1 calc R . .
C44 C 0.8521(2) 0.0333(3) 0.1856(3) 0.0750(17) Uani 1 1 d . . .
H44 H 0.8698 0.0164 0.1547 0.090 Uiso 1 1 calc R . .
C45 C 0.8630(2) 0.0962(3) 0.2047(2) 0.0645(15) Uani 1 1 d . . .
H45 H 0.8873 0.1216 0.1867 0.077 Uiso 1 1 calc R . .
C46 C 0.83584(18) 0.1190(2) 0.2518(2) 0.0529(12) Uani 1 1 d . . .
H46 H 0.8428 0.1604 0.2648 0.063 Uiso 1 1 calc R . .
C47 C 0.72333(15) 0.05991(17) 0.36776(16) 0.0314(8) Uani 1 1 d . . .
C48 C 0.66993(16) 0.0795(2) 0.37077(19) 0.0434(10) Uani 1 1 d . . .
H48 H 0.6603 0.1217 0.3634 0.052 Uiso 1 1 calc R . .
C49 C 0.63144(18) 0.0341(2) 0.3851(2) 0.0535(12) Uani 1 1 d . . .
H49 H 0.5963 0.0467 0.3863 0.064 Uiso 1 1 calc R . .
C50 C 0.6446(2) -0.0272(3) 0.3972(2) 0.0596(14) Uani 1 1 d . . .
H50 H 0.6189 -0.0565 0.4064 0.072 Uiso 1 1 calc R . .
C51 C 0.69700(19) -0.0459(2) 0.3955(2) 0.0558(13) Uani 1 1 d . . .
H51 H 0.7061 -0.0880 0.4043 0.067 Uiso 1 1 calc R . .
C52 C 0.73576(18) -0.00389(19) 0.3812(2) 0.0487(11) Uani 1 1 d . . .
H52 H 0.7705 -0.0179 0.3804 0.058 Uiso 1 1 calc R . .
C53 C 0.82512(16) 0.10644(18) 0.40114(18) 0.0354(9) Uani 1 1 d . . .
C54 C 0.87767(18) 0.1133(2) 0.3887(2) 0.0555(13) Uani 1 1 d . . .
H54 H 0.8859 0.1238 0.3509 0.067 Uiso 1 1 calc R . .
C55 C 0.91691(19) 0.1050(2) 0.4305(2) 0.0596(13) Uani 1 1 d . . .
H55 H 0.9518 0.1110 0.4211 0.072 Uiso 1 1 calc R . .
C56 C 0.9063(2) 0.0875(2) 0.4882(2) 0.0570(14) Uani 1 1 d . . .
H56 H 0.9337 0.0805 0.5166 0.068 Uiso 1 1 calc R . .
C57 C 0.8559(2) 0.0812(2) 0.5009(2) 0.0477(11) Uani 1 1 d . . .
H57 H 0.8482 0.0702 0.5388 0.057 Uiso 1 1 calc R . .
C58 C 0.81520(17) 0.09058(18) 0.45907(19) 0.0409(10) Uani 1 1 d . . .
H58 H 0.7804 0.0864 0.4694 0.049 Uiso 1 1 calc R . .
C59 C 0.89120(18) 0.6582(2) 0.4912(2) 0.0484(11) Uani 1 1 d . . .
H59 H 0.9245 0.6573 0.4626 0.058 Uiso 1 1 d R . .
C60 C 0.88471(19) 0.6045(2) 0.5427(2) 0.0516(12) Uani 1 1 d . . .
H60 H 0.9142 0.5664 0.5507 0.062 Uiso 1 1 d R . .
C61 C 0.60596(16) 0.7600(2) 0.4931(2) 0.0453(11) Uani 1 1 d . . .
C62 C 0.58898(17) 0.7452(2) 0.5497(2) 0.0450(11) Uani 1 1 d . . .
C63 C 0.59504(16) 0.6806(2) 0.56157(19) 0.0411(10) Uani 1 1 d . . .
C64 C 0.61772(17) 0.6526(2) 0.5097(2) 0.0449(11) Uani 1 1 d . . .
C65 C 0.62440(16) 0.7017(2) 0.46951(19) 0.0427(10) Uani 1 1 d . . .
C66 C 0.6046(2) 0.8224(3) 0.4632(3) 0.0735(17) Uani 1 1 d . . .
H66A H 0.5688 0.8374 0.4587 0.110 Uiso 1 1 calc R . .
H66B H 0.6185 0.8179 0.4253 0.110 Uiso 1 1 calc R . .
H66C H 0.6257 0.8525 0.4861 0.110 Uiso 1 1 calc R . .
C67 C 0.56432(19) 0.7916(3) 0.5897(3) 0.0661(16) Uani 1 1 d . . .
H67A H 0.5266 0.7916 0.5819 0.099 Uiso 1 1 calc R . .
H67B H 0.5779 0.8337 0.5832 0.099 Uiso 1 1 calc R . .
H67C H 0.5727 0.7794 0.6297 0.099 Uiso 1 1 calc R . .
C68 C 0.5772(2) 0.6437(2) 0.6120(2) 0.0654(15) Uani 1 1 d . . .
H68A H 0.5950 0.6592 0.6476 0.098 Uiso 1 1 calc R . .
H68B H 0.5855 0.5994 0.6071 0.098 Uiso 1 1 calc R . .
H68C H 0.5397 0.6486 0.6141 0.098 Uiso 1 1 calc R . .
C69 C 0.6292(2) 0.5830(2) 0.4999(3) 0.0638(15) Uani 1 1 d . . .
H69A H 0.6085 0.5682 0.4660 0.096 Uiso 1 1 calc R . .
H69B H 0.6203 0.5588 0.5336 0.096 Uiso 1 1 calc R . .
H69C H 0.6661 0.5777 0.4939 0.096 Uiso 1 1 calc R . .
C70 C 0.6452(2) 0.6931(3) 0.40869(19) 0.0583(13) Uani 1 1 d . . .
H70A H 0.6831 0.6912 0.4120 0.087 Uiso 1 1 calc R . .
H70B H 0.6340 0.7285 0.3842 0.087 Uiso 1 1 calc R . .
H70C H 0.6314 0.6542 0.3916 0.087 Uiso 1 1 calc R . .
C71 C 0.66432(18) 0.7286(2) 0.73791(18) 0.0401(10) Uani 1 1 d . . .
C72 C 0.61646(19) 0.7556(3) 0.7476(2) 0.0580(13) Uani 1 1 d . . .
H72 H 0.6126 0.7994 0.7424 0.070 Uiso 1 1 calc R . .
C73 C 0.5724(2) 0.7201(3) 0.7653(2) 0.0592(14) Uani 1 1 d . . .
H73 H 0.5407 0.7402 0.7723 0.071 Uiso 1 1 calc R . .
C74 C 0.5781(2) 0.6551(2) 0.7716(2) 0.0589(13) Uani 1 1 d . . .
H74 H 0.5497 0.6305 0.7825 0.071 Uiso 1 1 calc R . .
C75 C 0.62675(19) 0.6254(2) 0.7618(2) 0.0523(12) Uani 1 1 d . . .
H75 H 0.6311 0.5817 0.7673 0.063 Uiso 1 1 calc R . .
C76 C 0.6693(2) 0.6636(2) 0.7432(2) 0.0539(12) Uani 1 1 d . . .
H76 H 0.7009 0.6441 0.7346 0.065 Uiso 1 1 calc R . .
C77 C 0.77233(18) 0.7314(2) 0.7689(2) 0.0457(11) Uani 1 1 d . . .
C78 C 0.7652(2) 0.7142(2) 0.82595(19) 0.0489(12) Uani 1 1 d . . .
H78 H 0.7334 0.7250 0.8417 0.059 Uiso 1 1 calc R . .
C79 C 0.80121(19) 0.6831(2) 0.8598(2) 0.0493(11) Uani 1 1 d . . .
H79 H 0.7953 0.6741 0.8986 0.059 Uiso 1 1 calc R . .
C80 C 0.8478(2) 0.6642(3) 0.8361(2) 0.0715(16) Uani 1 1 d . . .
H80 H 0.8727 0.6408 0.8587 0.086 Uiso 1 1 calc R . .
C81 C 0.8576(2) 0.6803(3) 0.7780(2) 0.0644(15) Uani 1 1 d . . .
H81 H 0.8890 0.6688 0.7621 0.077 Uiso 1 1 calc R . .
C82 C 0.82011(19) 0.7128(2) 0.74637(19) 0.0474(11) Uani 1 1 d . . .
H82 H 0.8261 0.7235 0.7079 0.057 Uiso 1 1 calc R . .
C83 C 0.71231(17) 0.84947(19) 0.76095(17) 0.0384(9) Uani 1 1 d . . .
C84 C 0.74314(19) 0.8662(2) 0.81232(19) 0.0478(11) Uani 1 1 d . . .
H84 H 0.7698 0.8393 0.8274 0.057 Uiso 1 1 calc R . .
C85 C 0.73302(19) 0.9233(2) 0.8399(2) 0.0482(11) Uani 1 1 d . . .
H85 H 0.7527 0.9330 0.8744 0.058 Uiso 1 1 calc R . .
C86 C 0.6962(2) 0.9658(2) 0.8196(2) 0.0557(13) Uani 1 1 d . . .
H86 H 0.6916 1.0047 0.8382 0.067 Uiso 1 1 calc R . .
C87 C 0.6650(2) 0.9483(2) 0.7686(2) 0.0549(12) Uani 1 1 d . . .
H87 H 0.6380 0.9756 0.7552 0.066 Uiso 1 1 calc R . .
C88 C 0.67253(18) 0.8936(2) 0.7383(2) 0.0510(12) Uani 1 1 d . . .
H88 H 0.6525 0.8850 0.7037 0.061 Uiso 1 1 calc R . .
C89 C 0.80099(17) 0.92361(18) 0.68871(19) 0.0386(10) Uani 1 1 d . . .
C90 C 0.83684(17) 0.8862(2) 0.72199(19) 0.0457(11) Uani 1 1 d . . .
H90 H 0.8417 0.8436 0.7122 0.055 Uiso 1 1 calc R . .
C91 C 0.8658(2) 0.9130(3) 0.7708(2) 0.0590(13) Uani 1 1 d . . .
H91 H 0.8921 0.8893 0.7910 0.071 Uiso 1 1 calc R . .
C92 C 0.8552(2) 0.9746(3) 0.7885(2) 0.0632(14) Uani 1 1 d . . .
H92 H 0.8731 0.9923 0.8213 0.076 Uiso 1 1 calc R . .
C93 C 0.8186(2) 1.0077(2) 0.7573(2) 0.0651(15) Uani 1 1 d . . .
H93 H 0.8105 1.0486 0.7699 0.078 Uiso 1 1 calc R . .
C94 C 0.7918(2) 0.9847(2) 0.7069(2) 0.0549(13) Uani 1 1 d . . .
H94 H 0.7678 1.0105 0.6856 0.066 Uiso 1 1 calc R . .
C95 C 0.72082(16) 0.9451(2) 0.59347(18) 0.0394(10) Uani 1 1 d . . .
C96 C 0.66934(16) 0.9249(2) 0.58612(19) 0.0421(10) Uani 1 1 d . . .
H96 H 0.6609 0.8831 0.5953 0.051 Uiso 1 1 calc R . .
C97 C 0.6287(2) 0.9670(2) 0.5648(2) 0.0580(13) Uani 1 1 d . . .
H97 H 0.5940 0.9527 0.5602 0.070 Uiso 1 1 calc R . .
C98 C 0.6408(2) 1.0294(2) 0.5507(2) 0.0627(14) Uani 1 1 d . . .
H98 H 0.6144 1.0577 0.5376 0.075 Uiso 1 1 calc R . .
C99 C 0.6948(2) 1.0491(2) 0.5570(2) 0.0615(14) Uani 1 1 d . . .
H99 H 0.7039 1.0905 0.5472 0.074 Uiso 1 1 calc R . .
C100 C 0.7334(2) 1.0071(2) 0.5773(2) 0.0492(11) Uani 1 1 d . . .
H100 H 0.7685 1.0203 0.5804 0.059 Uiso 1 1 calc R . .
C101 C 0.82421(16) 0.8995(2) 0.57193(18) 0.0395(10) Uani 1 1 d . . .
C102 C 0.87639(18) 0.8934(2) 0.5926(2) 0.0563(13) Uani 1 1 d . . .
H102 H 0.8850 0.8825 0.6315 0.068 Uiso 1 1 calc R . .
C103 C 0.9169(2) 0.9042(3) 0.5530(3) 0.0684(15) Uani 1 1 d . . .
H103 H 0.9522 0.9028 0.5671 0.082 Uiso 1 1 calc R . .
C104 C 0.9053(2) 0.9164(2) 0.4963(3) 0.0639(15) Uani 1 1 d . . .
H104 H 0.9321 0.9202 0.4705 0.077 Uiso 1 1 calc R . .
C105 C 0.8527(2) 0.9231(2) 0.4765(2) 0.0526(12) Uani 1 1 d . . .
H105 H 0.8443 0.9347 0.4377 0.063 Uiso 1 1 calc R . .
C106 C 0.81404(17) 0.91311(19) 0.51232(18) 0.0400(10) Uani 1 1 d . . .
H106 H 0.7791 0.9153 0.4972 0.048 Uiso 1 1 calc R . .
F1 F 0.51771(11) -0.01458(17) 0.32500(15) 0.0821(10) Uani 1 1 d . . .
F2 F 0.47342(13) 0.00909(14) 0.24163(16) 0.0804(10) Uani 1 1 d . . .
F3 F 0.43756(12) 0.02480(16) 0.32327(14) 0.0766(9) Uani 1 1 d . . .
F4 F 0.46436(13) 0.10850(16) 0.27534(13) 0.0792(9) Uani 1 1 d . . .
F5 F 0.50754(13) 0.08025(14) 0.35743(15) 0.0786(9) Uani 1 1 d . . .
F6 F 0.54422(12) 0.06741(17) 0.27705(17) 0.0875(10) Uani 1 1 d . . .
F7 F 0.95351(11) 0.89443(14) 0.87985(14) 0.0690(8) Uani 1 1 d . . .
F8 F 0.95739(12) 0.98701(16) 0.91589(16) 0.0831(10) Uani 1 1 d . . .
F9 F 1.04642(13) 0.98331(16) 0.92439(14) 0.0811(10) Uani 1 1 d . . .
F10 F 0.99959(12) 0.90893(13) 0.96432(14) 0.0701(8) Uani 1 1 d . . .
F11 F 1.04345(11) 0.89266(14) 0.88733(14) 0.0696(8) Uani 1 1 d . . .
F12 F 0.99836(12) 0.95635(14) 0.83336(14) 0.0712(8) Uani 1 1 d . . .
P1 P 0.72323(4) 0.22898(5) 0.23985(5) 0.0332(2) Uani 1 1 d . . .
P2 P 0.77056(4) 0.11721(5) 0.34488(5) 0.0315(2) Uani 1 1 d . . .
P3 P 0.72319(4) 0.77529(5) 0.72116(5) 0.0346(2) Uani 1 1 d . . .
P4 P 0.77027(4) 0.88774(5) 0.62172(5) 0.0319(2) Uani 1 1 d . . .
P5 P 0.49008(6) 0.04646(8) 0.29636(8) 0.0734(4) Uani 1 1 d . . .
P6 P 0.99977(6) 0.94353(7) 0.90298(7) 0.0654(4) Uani 1 1 d . . .
Rh1 Rh 0.743215(12) 0.223198(13) 0.338541(13) 0.02819(8) Uani 1 1 d . . .
Rh2 Rh 0.671123(12) 0.285084(13) 0.404725(13) 0.02878(8) Uani 1 1 d . . .
Rh3 Rh 0.672673(12) 0.720474(14) 0.547712(14) 0.03255(8) Uani 1 1 d . . .
Rh4 Rh 0.743664(12) 0.781955(13) 0.625397(13) 0.02887(8) Uani 1 1 d . . .
S1 S 0.73167(4) 0.33630(4) 0.34667(4) 0.0290(2) Uani 1 1 d . . .
S2 S 0.74284(4) 0.22590(4) 0.44565(4) 0.0288(2) Uani 1 1 d . . .
S3 S 0.74505(4) 0.77861(4) 0.51891(4) 0.0292(2) Uani 1 1 d . . .
S4 S 0.73147(4) 0.66895(4) 0.61580(4) 0.0342(2) 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. 
;
# 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 0.000 315 24 ' '
2 0.262 0.000 0.020 9 1 ' '
3 1.000 -0.028 0.333 1589 121 ' '
4 0.500 0.000 0.500 86 7 ' '
5 0.738 0.000 0.980 9 1 ' '
6 0.500 0.500 0.500 315 24 ' '
7 0.500 0.500 0.000 86 7 ' '
8 0.738 0.500 0.480 9 1 ' '
9 0.262 0.500 0.520 9 1 ' '

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
B3 B10 1.733(7) . ?
B3 C1 1.749(7) . ?
B3 C2 1.771(7) . ?
B3 B11 1.824(7) . ?
B3 B4 1.843(7) . ?
B3 H3 1.1000 . ?
B4 C1 1.725(7) . ?
B4 B9 1.741(7) . ?
B4 B10 1.752(6) . ?
B4 B5 1.814(8) . ?
B4 H4 1.1006 . ?
B5 C1 1.745(7) . ?
B5 B8 1.749(8) . ?
B5 B9 1.753(7) . ?
B5 B6 1.796(8) . ?
B5 H5 1.1009 . ?
B6 C2 1.713(7) . ?
B6 C1 1.753(8) . ?
B6 B8 1.772(7) . ?
B6 B7 1.803(7) . ?
B6 H6 1.0998 . ?
B7 C2 1.712(7) . ?
B7 B8 1.798(7) . ?
B7 B12 1.805(7) . ?
B7 B11 1.814(8) . ?
B7 H7 1.0998 . ?
B8 B9 1.785(7) . ?
B8 B12 1.813(6) . ?
B8 H8 1.0994 . ?
B9 B12 1.739(6) . ?
B9 B10 1.774(7) . ?
B9 S1 1.897(5) . ?
B10 B12 1.763(7) . ?
B10 B11 1.802(7) . ?
B10 H10 1.0998 . ?
B11 C2 1.741(6) . ?
B11 B12 1.799(7) . ?
B11 H11 1.1010 . ?
B12 S2 1.877(5) . ?
B13 C60 1.711(6) . ?
B13 B21 1.716(8) . ?
B13 C59 1.748(6) . ?
B13 B20 1.756(7) . ?
B13 B14 1.801(7) . ?
B13 H13 1.1004 . ?
B14 C59 1.698(5) . ?
B14 B19 1.752(7) . ?
B14 B20 1.755(7) . ?
B14 B15 1.793(7) . ?
B14 H14 1.1004 . ?
B15 C59 1.717(5) . ?
B15 B16 1.731(7) . ?
B15 B18 1.759(7) . ?
B15 B19 1.764(7) . ?
B15 H15 1.1013 . ?
B16 C59 1.678(6) . ?
B16 C60 1.733(5) . ?
B16 B18 1.733(7) . ?
B16 B17 1.822(8) . ?
B16 H16 1.1003 . ?
B17 C60 1.698(5) . ?
B17 B22 1.789(7) . ?
B17 B18 1.790(7) . ?
B17 B21 1.804(8) . ?
B17 H17 1.0988 . ?
B18 B19 1.799(6) . ?
B18 B22 1.808(7) . ?
B18 H18 1.1013 . ?
B19 B22 1.746(7) . ?
B19 B20 1.800(6) . ?
B19 S3 1.903(5) . ?
B20 B21 1.776(7) . ?
B20 B22 1.798(7) . ?
B20 H20 1.0993 . ?
B21 C60 1.651(5) . ?
B21 B22 1.831(6) . ?
B21 H21 1.1001 . ?
B22 S4 1.888(5) . ?
C1 C2 1.605(6) . ?
C1 H1 1.0995 . ?
C2 H2 1.0985 . ?
C13 C17 1.390(6) . ?
C13 C14 1.436(6) . ?
C13 C18 1.539(6) . ?
C13 Rh2 2.163(4) . ?
C14 C15 1.412(6) . ?
C14 C19 1.483(6) . ?
C14 Rh2 2.204(4) . ?
C15 C16 1.431(6) . ?
C15 C20 1.508(6) . ?
C15 Rh2 2.188(4) . ?
C16 C17 1.451(7) . ?
C16 C21 1.502(5) . ?
C16 Rh2 2.144(4) . ?
C17 C22 1.658(5) . ?
C17 Rh2 2.156(4) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C24 1.3900 . ?
C23 C28 1.3900 . ?
C23 P1 1.872(2) . ?
C24 C25 1.3900 . ?
C24 H24 0.9300 . ?
C25 C26 1.3900 . ?
C25 H25 0.9300 . ?
C26 C27 1.3900 . ?
C26 H26 0.9300 . ?
C27 C28 1.3900 . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 C30 1.395(6) . ?
C29 C34 1.407(6) . ?
C29 P1 1.838(4) . ?
C30 C31 1.397(6) . ?
C30 H30 0.9300 . ?
C31 C32 1.292(7) . ?
C31 H31 0.9300 . ?
C32 C33 1.412(8) . ?
C32 H32 0.9300 . ?
C33 C34 1.364(6) . ?
C33 H33 0.9300 . ?
C34 H34 0.9300 . ?
C35 C36 1.386(6) . ?
C35 C40 1.412(6) . ?
C35 P1 1.819(4) . ?
C36 C37 1.416(6) . ?
C36 H36 0.9300 . ?
C37 C38 1.356(7) . ?
C37 H37 0.9300 . ?
C38 C39 1.403(7) . ?
C38 H38 0.9300 . ?
C39 C40 1.376(6) . ?
C39 H39 0.9300 . ?
C40 H40 0.9300 . ?
C41 C42 1.376(6) . ?
C41 C46 1.411(6) . ?
C41 P2 1.820(4) . ?
C42 C43 1.436(7) . ?
C42 H42 0.9300 . ?
C43 C44 1.343(8) . ?
C43 H43 0.9300 . ?
C44 C45 1.411(8) . ?
C44 H44 0.9300 . ?
C45 C46 1.398(6) . ?
C45 H45 0.9300 . ?
C46 H46 0.9300 . ?
C47 C52 1.403(5) . ?
C47 C48 1.420(6) . ?
C47 P2 1.796(4) . ?
C48 C49 1.416(6) . ?
C48 H48 0.9300 . ?
C49 C50 1.351(7) . ?
C49 H49 0.9300 . ?
C50 C51 1.386(7) . ?
C50 H50 0.9300 . ?
C51 C52 1.374(6) . ?
C51 H51 0.9300 . ?
C52 H52 0.9300 . ?
C53 C54 1.387(6) . ?
C53 C58 1.404(6) . ?
C53 P2 1.841(4) . ?
C54 C55 1.345(6) . ?
C54 H54 0.9300 . ?
C55 C56 1.412(7) . ?
C55 H55 0.9300 . ?
C56 C57 1.334(7) . ?
C56 H56 0.9300 . ?
C57 C58 1.376(6) . ?
C57 H57 0.9300 . ?
C58 H58 0.9300 . ?
C59 C60 1.645(6) . ?
C59 H59 1.1001 . ?
C60 H60 1.1010 . ?
C61 C62 1.422(7) . ?
C61 C65 1.427(6) . ?
C61 C66 1.476(7) . ?
C61 Rh3 2.198(4) . ?
C62 C63 1.386(6) . ?
C62 C67 1.500(6) . ?
C62 Rh3 2.186(4) . ?
C63 C64 1.471(6) . ?
C63 C68 1.483(6) . ?
C63 Rh3 2.179(4) . ?
C64 C65 1.397(6) . ?
C64 C69 1.507(6) . ?
C64 Rh3 2.136(4) . ?
C65 C70 1.529(6) . ?
C65 Rh3 2.138(4) . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
C67 H67A 0.9600 . ?
C67 H67B 0.9600 . ?
C67 H67C 0.9600 . ?
C68 H68A 0.9600 . ?
C68 H68B 0.9600 . ?
C68 H68C 0.9600 . ?
C69 H69A 0.9600 . ?
C69 H69B 0.9600 . ?
C69 H69C 0.9600 . ?
C70 H70A 0.9600 . ?
C70 H70B 0.9600 . ?
C70 H70C 0.9600 . ?
C71 C72 1.369(6) . ?
C71 C76 1.372(6) . ?
C71 P3 1.844(4) . ?
C72 C73 1.421(6) . ?
C72 H72 0.9300 . ?
C73 C74 1.378(7) . ?
C73 H73 0.9300 . ?
C74 C75 1.412(7) . ?
C74 H74 0.9300 . ?
C75 C76 1.429(6) . ?
C75 H75 0.9300 . ?
C76 H76 0.9300 . ?
C77 C78 1.376(6) . ?
C77 C82 1.400(5) . ?
C77 P3 1.848(4) . ?
C78 C79 1.330(6) . ?
C78 H78 0.9300 . ?
C79 C80 1.387(7) . ?
C79 H79 0.9300 . ?
C80 C81 1.407(5) . ?
C80 H80 0.9300 . ?
C81 C82 1.342(6) . ?
C81 H81 0.9300 . ?
C82 H82 0.9300 . ?
C83 C84 1.413(6) . ?
C83 C88 1.440(6) . ?
C83 P3 1.831(4) . ?
C84 C85 1.383(6) . ?
C84 H84 0.9300 . ?
C85 C86 1.350(6) . ?
C85 H85 0.9300 . ?
C86 C87 1.414(7) . ?
C86 H86 0.9300 . ?
C87 C88 1.359(6) . ?
C87 H87 0.9300 . ?
C88 H88 0.9300 . ?
C89 C94 1.370(6) . ?
C89 C90 1.389(6) . ?
C89 P4 1.834(4) . ?
C90 C91 1.413(6) . ?
C90 H90 0.9300 . ?
C91 C92 1.384(7) . ?
C91 H91 0.9300 . ?
C92 C93 1.329(7) . ?
C92 H92 0.9300 . ?
C93 C94 1.385(7) . ?
C93 H93 0.9300 . ?
C94 H94 0.9300 . ?
C95 C96 1.372(6) . ?
C95 C100 1.392(6) . ?
C95 P4 1.825(4) . ?
C96 C97 1.418(6) . ?
C96 H96 0.9300 . ?
C97 C98 1.384(7) . ?
C97 H97 0.9300 . ?
C98 C99 1.428(7) . ?
C98 H98 0.9300 . ?
C99 C100 1.374(6) . ?
C99 H99 0.9300 . ?
C100 H100 0.9300 . ?
C101 C102 1.382(6) . ?
C101 C106 1.400(6) . ?
C101 P4 1.850(4) . ?
C102 C103 1.430(7) . ?
C102 H102 0.9300 . ?
C103 C104 1.336(8) . ?
C103 H103 0.9300 . ?
C104 C105 1.389(7) . ?
C104 H104 0.9300 . ?
C105 C106 1.333(6) . ?
C105 H105 0.9300 . ?
C106 H106 0.9300 . ?
F1 P5 1.580(4) . ?
F2 P5 1.513(4) . ?
F3 P5 1.568(3) . ?
F4 P5 1.518(4) . ?
F5 P5 1.602(4) . ?
F6 P5 1.532(4) . ?
F7 P6 1.623(3) . ?
F8 P6 1.453(3) . ?
F9 P6 1.503(3) . ?
F10 P6 1.579(3) . ?
F11 P6 1.594(3) . ?
F12 P6 1.613(3) . ?
P1 Rh1 2.2842(11) . ?
P2 Rh1 2.3281(10) . ?
P3 Rh4 2.2864(11) . ?
P4 Rh4 2.3198(10) . ?
Rh1 S1 2.3964(10) . ?
Rh1 S2 2.4503(10) . ?
Rh1 Rh2 2.7678(4) . ?
Rh2 S2 2.3451(10) . ?
Rh2 S1 2.3508(10) . ?
Rh3 S3 2.3314(10) . ?
Rh3 S4 2.3482(10) . ?
Rh3 Rh4 2.7648(5) . ?
Rh4 S4 2.3962(10) . ?
Rh4 S3 2.4383(10) . ?

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
B10 B3 C1 101.4(3) . . ?
B10 B3 C2 101.9(3) . . ?
C1 B3 C2 54.2(3) . . ?
B10 B3 B11 60.8(3) . . ?
C1 B3 B11 102.3(4) . . ?
C2 B3 B11 57.9(3) . . ?
B10 B3 B4 58.6(3) . . ?
C1 B3 B4 57.3(3) . . ?
C2 B3 B4 100.6(4) . . ?
B11 B3 B4 107.2(3) . . ?
B10 B3 H3 124.6 . . ?
C1 B3 H3 126.6 . . ?
C2 B3 H3 126.9 . . ?
B11 B3 H3 122.1 . . ?
B4 B3 H3 123.8 . . ?
C1 B4 B9 103.0(4) . . ?
C1 B4 B10 101.6(4) . . ?
B9 B4 B10 61.0(3) . . ?
C1 B4 B5 59.0(3) . . ?
B9 B4 B5 59.0(3) . . ?
B10 B4 B5 107.6(4) . . ?
C1 B4 B3 58.6(3) . . ?
B9 B4 B3 107.3(3) . . ?
B10 B4 B3 57.6(3) . . ?
B5 B4 B3 108.7(4) . . ?
C1 B4 H4 125.8 . . ?
B9 B4 H4 123.9 . . ?
B10 B4 H4 123.1 . . ?
B5 B4 H4 122.3 . . ?
B3 B4 H4 120.3 . . ?
C1 B5 B8 104.2(4) . . ?
C1 B5 B9 101.7(3) . . ?
B8 B5 B9 61.3(3) . . ?
C1 B5 B6 59.3(3) . . ?
B8 B5 B6 60.0(3) . . ?
B9 B5 B6 108.2(4) . . ?
C1 B5 B4 57.9(3) . . ?
B8 B5 B4 108.8(3) . . ?
B9 B5 B4 58.4(3) . . ?
B6 B5 B4 109.0(4) . . ?
C1 B5 H5 126.4 . . ?
B8 B5 H5 121.9 . . ?
B9 B5 H5 122.8 . . ?
B6 B5 H5 121.5 . . ?
B4 B5 H5 120.7 . . ?
C2 B6 C1 55.1(3) . . ?
C2 B6 B8 103.7(3) . . ?
C1 B6 B8 102.9(4) . . ?
C2 B6 B5 103.3(4) . . ?
C1 B6 B5 58.9(3) . . ?
B8 B6 B5 58.7(3) . . ?
C2 B6 B7 58.2(3) . . ?
C1 B6 B7 102.4(3) . . ?
B8 B6 B7 60.4(3) . . ?
B5 B6 B7 106.9(3) . . ?
C2 B6 H6 125.9 . . ?
C1 B6 H6 126.3 . . ?
B8 B6 H6 123.3 . . ?
B5 B6 H6 122.5 . . ?
B7 B6 H6 122.7 . . ?
C2 B7 B8 102.7(4) . . ?
C2 B7 B6 58.3(3) . . ?
B8 B7 B6 59.0(3) . . ?
C2 B7 B12 102.2(3) . . ?
B8 B7 B12 60.4(3) . . ?
B6 B7 B12 107.0(3) . . ?
C2 B7 B11 59.1(3) . . ?
B8 B7 B11 109.2(4) . . ?
B6 B7 B11 109.3(4) . . ?
B12 B7 B11 59.6(3) . . ?
C2 B7 H7 126.1 . . ?
B8 B7 H7 123.0 . . ?
B6 B7 H7 121.8 . . ?
B12 B7 H7 123.6 . . ?
B11 B7 H7 119.7 . . ?
B5 B8 B6 61.3(3) . . ?
B5 B8 B9 59.5(3) . . ?
B6 B8 B9 107.8(4) . . ?
B5 B8 B7 109.3(4) . . ?
B6 B8 B7 60.7(3) . . ?
B9 B8 B7 106.5(3) . . ?
B5 B8 B12 106.5(4) . . ?
B6 B8 B12 107.9(3) . . ?
B9 B8 B12 57.8(2) . . ?
B7 B8 B12 60.0(3) . . ?
B5 B8 H8 121.5 . . ?
B6 B8 H8 120.3 . . ?
B9 B8 H8 123.9 . . ?
B7 B8 H8 120.8 . . ?
B12 B8 H8 123.3 . . ?
B12 B9 B4 109.9(3) . . ?
B12 B9 B5 109.6(4) . . ?
B4 B9 B5 62.6(3) . . ?
B12 B9 B10 60.3(3) . . ?
B4 B9 B10 59.8(3) . . ?
B5 B9 B10 109.4(3) . . ?
B12 B9 B8 61.9(3) . . ?
B4 B9 B8 110.5(3) . . ?
B5 B9 B8 59.2(3) . . ?
B10 B9 B8 109.6(3) . . ?
B12 B9 S1 112.4(3) . . ?
B4 B9 S1 127.8(3) . . ?
B5 B9 S1 125.4(3) . . ?
B10 B9 S1 121.0(3) . . ?
B8 B9 S1 115.6(3) . . ?
B3 B10 B4 63.8(3) . . ?
B3 B10 B12 111.0(4) . . ?
B4 B10 B12 108.2(3) . . ?
B3 B10 B9 110.8(4) . . ?
B4 B10 B9 59.2(3) . . ?
B12 B10 B9 58.9(3) . . ?
B3 B10 B11 62.1(3) . . ?
B4 B10 B11 112.3(4) . . ?
B12 B10 B11 60.6(3) . . ?
B9 B10 B11 108.5(4) . . ?
B3 B10 H10 118.8 . . ?
B4 B10 H10 121.0 . . ?
B12 B10 H10 120.8 . . ?
B9 B10 H10 122.5 . . ?
B11 B10 H10 119.2 . . ?
C2 B11 B12 101.3(3) . . ?
C2 B11 B10 100.3(4) . . ?
B12 B11 B10 58.6(3) . . ?
C2 B11 B7 57.5(3) . . ?
B12 B11 B7 59.9(3) . . ?
B10 B11 B7 106.2(4) . . ?
C2 B11 B3 59.5(3) . . ?
B12 B11 B3 105.4(3) . . ?
B10 B11 B3 57.1(3) . . ?
B7 B11 B3 108.5(4) . . ?
C2 B11 H11 127.1 . . ?
B12 B11 H11 124.4 . . ?
B10 B11 H11 124.6 . . ?
B7 B11 H11 122.0 . . ?
B3 B11 H11 121.2 . . ?
B9 B12 B10 60.9(3) . . ?
B9 B12 B11 110.2(3) . . ?
B10 B12 B11 60.8(3) . . ?
B9 B12 B7 108.2(3) . . ?
B10 B12 B7 108.3(3) . . ?
B11 B12 B7 60.4(3) . . ?
B9 B12 B8 60.3(3) . . ?
B10 B12 B8 108.8(3) . . ?
B11 B12 B8 109.2(3) . . ?
B7 B12 B8 59.6(3) . . ?
B9 B12 S2 114.3(3) . . ?
B10 B12 S2 119.9(3) . . ?
B11 B12 S2 126.1(3) . . ?
B7 B12 S2 126.6(3) . . ?
B8 B12 S2 118.4(3) . . ?
C60 B13 B21 57.6(3) . . ?
C60 B13 C59 56.8(2) . . ?
B21 B13 C59 103.8(3) . . ?
C60 B13 B20 104.1(3) . . ?
B21 B13 B20 61.5(3) . . ?
C59 B13 B20 103.3(3) . . ?
C60 B13 B14 102.5(3) . . ?
B21 B13 B14 107.5(4) . . ?
C59 B13 B14 57.2(2) . . ?
B20 B13 B14 59.1(3) . . ?
C60 B13 H13 125.9 . . ?
B21 B13 H13 122.2 . . ?
C59 B13 H13 125.5 . . ?
B20 B13 H13 122.8 . . ?
B14 B13 H13 123.2 . . ?
C59 B14 B19 104.5(3) . . ?
C59 B14 B20 105.5(3) . . ?
B19 B14 B20 61.8(3) . . ?
C59 B14 B15 58.8(2) . . ?
B19 B14 B15 59.7(3) . . ?
B20 B14 B15 109.9(3) . . ?
C59 B14 B13 59.9(2) . . ?
B19 B14 B13 108.6(4) . . ?
B20 B14 B13 59.2(3) . . ?
B15 B14 B13 109.5(4) . . ?
C59 B14 H14 124.3 . . ?
B19 B14 H14 122.7 . . ?
B20 B14 H14 121.4 . . ?
B15 B14 H14 120.9 . . ?
B13 B14 H14 120.5 . . ?
C59 B15 B16 58.2(2) . . ?
C59 B15 B18 104.1(3) . . ?
B16 B15 B18 59.5(3) . . ?
C59 B15 B19 103.2(3) . . ?
B16 B15 B19 107.9(4) . . ?
B18 B15 B19 61.4(3) . . ?
C59 B15 B14 57.8(2) . . ?
B16 B15 B14 106.9(3) . . ?
B18 B15 B14 108.2(4) . . ?
B19 B15 B14 59.0(3) . . ?
C59 B15 H15 126.1 . . ?
B16 B15 H15 122.1 . . ?
B18 B15 H15 121.6 . . ?
B19 B15 H15 122.3 . . ?
B14 B15 H15 122.3 . . ?
C59 B16 B15 60.4(2) . . ?
C59 B16 C60 57.6(2) . . ?
B15 B16 C60 106.3(3) . . ?
C59 B16 B18 106.9(3) . . ?
B15 B16 B18 61.0(3) . . ?
C60 B16 B18 104.5(3) . . ?
C59 B16 B17 104.6(3) . . ?
B15 B16 B17 109.1(4) . . ?
C60 B16 B17 57.0(2) . . ?
B18 B16 B17 60.4(3) . . ?
C59 B16 H16 123.4 . . ?
B15 B16 H16 121.0 . . ?
C60 B16 H16 124.4 . . ?
B18 B16 H16 122.4 . . ?
B17 B16 H16 122.3 . . ?
C60 B17 B22 103.3(3) . . ?
C60 B17 B18 103.6(3) . . ?
B22 B17 B18 60.7(3) . . ?
C60 B17 B21 56.2(2) . . ?
B22 B17 B21 61.3(3) . . ?
B18 B17 B21 108.8(3) . . ?
C60 B17 B16 58.9(2) . . ?
B22 B17 B16 105.2(3) . . ?
B18 B17 B16 57.3(3) . . ?
B21 B17 B16 105.4(4) . . ?
C60 B17 H17 125.6 . . ?
B22 B17 H17 122.8 . . ?
B18 B17 H17 122.6 . . ?
B21 B17 H17 121.8 . . ?
B16 B17 H17 123.7 . . ?
B16 B18 B15 59.4(3) . . ?
B16 B18 B17 62.3(3) . . ?
B15 B18 B17 109.4(3) . . ?
B16 B18 B19 106.2(3) . . ?
B15 B18 B19 59.4(3) . . ?
B17 B18 B19 106.2(3) . . ?
B16 B18 B22 108.2(3) . . ?
B15 B18 B22 106.7(3) . . ?
B17 B18 B22 59.6(3) . . ?
B19 B18 B22 57.9(2) . . ?
B16 B18 H18 121.2 . . ?
B15 B18 H18 122.2 . . ?
B17 B18 H18 120.3 . . ?
B19 B18 H18 124.3 . . ?
B22 B18 H18 122.5 . . ?
B22 B19 B14 108.4(3) . . ?
B22 B19 B15 109.2(3) . . ?
B14 B19 B15 61.3(3) . . ?
B22 B19 B18 61.3(3) . . ?
B14 B19 B18 108.2(3) . . ?
B15 B19 B18 59.2(3) . . ?
B22 B19 B20 60.9(3) . . ?
B14 B19 B20 59.2(3) . . ?
B15 B19 B20 109.2(3) . . ?
B18 B19 B20 109.5(3) . . ?
B22 B19 S3 111.1(3) . . ?
B14 B19 S3 130.0(3) . . ?
B15 B19 S3 127.7(3) . . ?
B18 B19 S3 117.0(3) . . ?
B20 B19 S3 118.9(3) . . ?
B14 B20 B13 61.7(3) . . ?
B14 B20 B21 106.9(4) . . ?
B13 B20 B21 58.1(3) . . ?
B14 B20 B22 106.0(3) . . ?
B13 B20 B22 108.1(4) . . ?
B21 B20 B22 61.6(3) . . ?
B14 B20 B19 59.0(3) . . ?
B13 B20 B19 108.4(4) . . ?
B21 B20 B19 107.1(3) . . ?
B22 B20 B19 58.0(3) . . ?
B14 B20 H20 122.1 . . ?
B13 B20 H20 120.9 . . ?
B21 B20 H20 122.3 . . ?
B22 B20 H20 122.6 . . ?
B19 B20 H20 122.8 . . ?
C60 B21 B13 61.1(3) . . ?
C60 B21 B20 105.8(3) . . ?
B13 B21 B20 60.4(3) . . ?
C60 B21 B17 58.7(2) . . ?
B13 B21 B17 110.7(4) . . ?
B20 B21 B17 108.2(3) . . ?
C60 B21 B22 103.4(3) . . ?
B13 B21 B22 108.5(4) . . ?
B20 B21 B22 59.8(3) . . ?
B17 B21 B22 58.9(3) . . ?
C60 B21 H21 124.9 . . ?
B13 B21 H21 120.2 . . ?
B20 B21 H21 122.0 . . ?
B17 B21 H21 120.7 . . ?
B22 B21 H21 122.9 . . ?
B19 B22 B17 108.6(4) . . ?
B19 B22 B20 61.0(3) . . ?
B17 B22 B20 107.9(3) . . ?
B19 B22 B18 60.8(3) . . ?
B17 B22 B18 59.7(3) . . ?
B20 B22 B18 109.2(3) . . ?
B19 B22 B21 107.0(3) . . ?
B17 B22 B21 59.8(3) . . ?
B20 B22 B21 58.6(3) . . ?
B18 B22 B21 106.9(3) . . ?
B19 B22 S4 114.7(3) . . ?
B17 B22 S4 128.7(3) . . ?
B20 B22 S4 116.4(3) . . ?
B18 B22 S4 122.2(3) . . ?
B21 B22 S4 126.3(3) . . ?
C2 C1 B4 113.2(3) . . ?
C2 C1 B5 110.3(4) . . ?
B4 C1 B5 63.0(3) . . ?
C2 C1 B3 63.6(3) . . ?
B4 C1 B3 64.1(3) . . ?
B5 C1 B3 116.5(3) . . ?
C2 C1 B6 61.2(3) . . ?
B4 C1 B6 115.3(3) . . ?
B5 C1 B6 61.8(3) . . ?
B3 C1 B6 117.3(4) . . ?
C2 C1 H1 120.6 . . ?
B4 C1 H1 117.5 . . ?
B5 C1 H1 118.7 . . ?
B3 C1 H1 115.3 . . ?
B6 C1 H1 116.8 . . ?
C1 C2 B7 113.4(4) . . ?
C1 C2 B6 63.7(3) . . ?
B7 C2 B6 63.5(3) . . ?
C1 C2 B11 112.4(3) . . ?
B7 C2 B11 63.4(3) . . ?
B6 C2 B11 117.3(3) . . ?
C1 C2 B3 62.2(3) . . ?
B7 C2 B3 115.9(3) . . ?
B6 C2 B3 118.2(4) . . ?
B11 C2 B3 62.6(3) . . ?
C1 C2 H2 119.8 . . ?
B7 C2 H2 117.0 . . ?
B6 C2 H2 114.0 . . ?
B11 C2 H2 118.2 . . ?
B3 C2 H2 117.2 . . ?
C17 C13 C14 110.7(4) . . ?
C17 C13 C18 126.3(4) . . ?
C14 C13 C18 122.7(4) . . ?
C17 C13 Rh2 71.0(3) . . ?
C14 C13 Rh2 72.4(2) . . ?
C18 C13 Rh2 128.6(3) . . ?
C15 C14 C13 105.9(4) . . ?
C15 C14 C19 128.5(4) . . ?
C13 C14 C19 125.6(4) . . ?
C15 C14 Rh2 70.6(2) . . ?
C13 C14 Rh2 69.3(2) . . ?
C19 C14 Rh2 126.1(3) . . ?
C14 C15 C16 109.5(4) . . ?
C14 C15 C20 125.3(5) . . ?
C16 C15 C20 125.1(4) . . ?
C14 C15 Rh2 71.8(2) . . ?
C16 C15 Rh2 69.1(2) . . ?
C20 C15 Rh2 128.1(3) . . ?
C15 C16 C17 106.9(4) . . ?
C15 C16 C21 127.2(4) . . ?
C17 C16 C21 125.6(4) . . ?
C15 C16 Rh2 72.4(2) . . ?
C17 C16 Rh2 70.7(2) . . ?
C21 C16 Rh2 126.6(3) . . ?
C13 C17 C16 106.9(4) . . ?
C13 C17 C22 123.0(4) . . ?
C16 C17 C22 129.0(4) . . ?
C13 C17 Rh2 71.5(3) . . ?
C16 C17 Rh2 69.9(3) . . ?
C22 C17 Rh2 114.6(2) . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 C28 120.0 . . ?
C24 C23 P1 122.19(17) . . ?
C28 C23 P1 117.64(17) . . ?
C25 C24 C23 120.0 . . ?
C25 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
C26 C25 C24 120.0 . . ?
C26 C25 H25 120.0 . . ?
C24 C25 H25 120.0 . . ?
C27 C26 C25 120.0 . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C26 C27 C28 120.0 . . ?
C26 C27 H27 120.0 . . ?
C28 C27 H27 120.0 . . ?
C27 C28 C23 120.0 . . ?
C27 C28 H28 120.0 . . ?
C23 C28 H28 120.0 . . ?
C30 C29 C34 119.6(4) . . ?
C30 C29 P1 123.7(3) . . ?
C34 C29 P1 116.7(3) . . ?
C29 C30 C31 117.6(4) . . ?
C29 C30 H30 121.2 . . ?
C31 C30 H30 121.2 . . ?
C32 C31 C30 124.2(5) . . ?
C32 C31 H31 117.9 . . ?
C30 C31 H31 117.9 . . ?
C31 C32 C33 118.7(4) . . ?
C31 C32 H32 120.7 . . ?
C33 C32 H32 120.7 . . ?
C34 C33 C32 121.1(5) . . ?
C34 C33 H33 119.4 . . ?
C32 C33 H33 119.4 . . ?
C33 C34 C29 118.9(5) . . ?
C33 C34 H34 120.6 . . ?
C29 C34 H34 120.6 . . ?
C36 C35 C40 118.6(4) . . ?
C36 C35 P1 119.0(3) . . ?
C40 C35 P1 122.1(3) . . ?
C35 C36 C37 120.5(4) . . ?
C35 C36 H36 119.7 . . ?
C37 C36 H36 119.7 . . ?
C38 C37 C36 119.4(5) . . ?
C38 C37 H37 120.3 . . ?
C36 C37 H37 120.3 . . ?
C37 C38 C39 121.2(5) . . ?
C37 C38 H38 119.4 . . ?
C39 C38 H38 119.4 . . ?
C40 C39 C38 119.5(5) . . ?
C40 C39 H39 120.3 . . ?
C38 C39 H39 120.3 . . ?
C39 C40 C35 120.7(4) . . ?
C39 C40 H40 119.7 . . ?
C35 C40 H40 119.7 . . ?
C42 C41 C46 116.7(4) . . ?
C42 C41 P2 125.2(4) . . ?
C46 C41 P2 118.0(3) . . ?
C41 C42 C43 120.6(5) . . ?
C41 C42 H42 119.7 . . ?
C43 C42 H42 119.7 . . ?
C44 C43 C42 121.2(5) . . ?
C44 C43 H43 119.4 . . ?
C42 C43 H43 119.4 . . ?
C43 C44 C45 120.4(5) . . ?
C43 C44 H44 119.8 . . ?
C45 C44 H44 119.8 . . ?
C46 C45 C44 117.6(5) . . ?
C46 C45 H45 121.2 . . ?
C44 C45 H45 121.2 . . ?
C45 C46 C41 123.5(5) . . ?
C45 C46 H46 118.2 . . ?
C41 C46 H46 118.2 . . ?
C52 C47 C48 117.7(4) . . ?
C52 C47 P2 123.8(3) . . ?
C48 C47 P2 118.4(3) . . ?
C49 C48 C47 119.4(4) . . ?
C49 C48 H48 120.3 . . ?
C47 C48 H48 120.3 . . ?
C50 C49 C48 121.4(5) . . ?
C50 C49 H49 119.3 . . ?
C48 C49 H49 119.3 . . ?
C49 C50 C51 119.2(5) . . ?
C49 C50 H50 120.4 . . ?
C51 C50 H50 120.4 . . ?
C52 C51 C50 121.7(4) . . ?
C52 C51 H51 119.2 . . ?
C50 C51 H51 119.2 . . ?
C51 C52 C47 120.6(4) . . ?
C51 C52 H52 119.7 . . ?
C47 C52 H52 119.7 . . ?
C54 C53 C58 116.7(4) . . ?
C54 C53 P2 122.2(3) . . ?
C58 C53 P2 121.1(3) . . ?
C55 C54 C53 121.2(5) . . ?
C55 C54 H54 119.4 . . ?
C53 C54 H54 119.4 . . ?
C54 C55 C56 121.4(5) . . ?
C54 C55 H55 119.3 . . ?
C56 C55 H55 119.3 . . ?
C57 C56 C55 118.0(4) . . ?
C57 C56 H56 121.0 . . ?
C55 C56 H56 121.0 . . ?
C56 C57 C58 121.4(5) . . ?
C56 C57 H57 119.3 . . ?
C58 C57 H57 119.3 . . ?
C57 C58 C53 121.2(4) . . ?
C57 C58 H58 119.4 . . ?
C53 C58 H58 119.4 . . ?
C60 C59 B16 62.9(2) . . ?
C60 C59 B14 110.0(3) . . ?
B16 C59 B14 114.0(2) . . ?
C60 C59 B15 111.0(3) . . ?
B16 C59 B15 61.3(2) . . ?
B14 C59 B15 63.3(2) . . ?
C60 C59 B13 60.5(2) . . ?
B16 C59 B13 115.5(3) . . ?
B14 C59 B13 63.0(2) . . ?
B15 C59 B13 115.8(2) . . ?
C60 C59 H59 122.0 . . ?
B16 C59 H59 117.4 . . ?
B14 C59 H59 118.5 . . ?
B15 C59 H59 117.8 . . ?
B13 C59 H59 117.2 . . ?
C59 C60 B21 111.6(3) . . ?
C59 C60 B17 111.9(3) . . ?
B21 C60 B17 65.2(3) . . ?
C59 C60 B13 62.8(2) . . ?
B21 C60 B13 61.3(3) . . ?
B17 C60 B13 116.3(3) . . ?
C59 C60 B16 59.5(2) . . ?
B21 C60 B16 116.9(3) . . ?
B17 C60 B16 64.1(3) . . ?
B13 C60 B16 114.5(3) . . ?
C59 C60 H60 121.2 . . ?
B21 C60 H60 117.5 . . ?
B17 C60 H60 116.7 . . ?
B13 C60 H60 117.2 . . ?
B16 C60 H60 117.3 . . ?
C62 C61 C65 106.4(4) . . ?
C62 C61 C66 128.0(5) . . ?
C65 C61 C66 125.6(5) . . ?
C62 C61 Rh3 70.6(2) . . ?
C65 C61 Rh3 68.5(2) . . ?
C66 C61 Rh3 126.3(3) . . ?
C63 C62 C61 110.8(4) . . ?
C63 C62 C67 124.0(5) . . ?
C61 C62 C67 125.1(5) . . ?
C63 C62 Rh3 71.2(2) . . ?
C61 C62 Rh3 71.5(2) . . ?
C67 C62 Rh3 127.5(3) . . ?
C62 C63 C64 106.0(4) . . ?
C62 C63 C68 128.8(4) . . ?
C64 C63 C68 124.9(4) . . ?
C62 C63 Rh3 71.8(2) . . ?
C64 C63 Rh3 68.5(2) . . ?
C68 C63 Rh3 129.4(3) . . ?
C65 C64 C63 107.9(4) . . ?
C65 C64 C69 125.5(4) . . ?
C63 C64 C69 126.5(4) . . ?
C65 C64 Rh3 71.0(2) . . ?
C63 C64 Rh3 71.7(2) . . ?
C69 C64 Rh3 125.3(3) . . ?
C64 C65 C61 108.9(4) . . ?
C64 C65 C70 125.1(4) . . ?
C61 C65 C70 125.8(4) . . ?
C64 C65 Rh3 70.8(2) . . ?
C61 C65 Rh3 73.1(2) . . ?
C70 C65 Rh3 124.8(3) . . ?
C61 C66 H66A 109.5 . . ?
C61 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C61 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C62 C67 H67A 109.5 . . ?
C62 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
C62 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C63 C68 H68A 109.5 . . ?
C63 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C63 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C64 C69 H69A 109.5 . . ?
C64 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C64 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C65 C70 H70A 109.5 . . ?
C65 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
C65 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C72 C71 C76 118.3(4) . . ?
C72 C71 P3 123.4(3) . . ?
C76 C71 P3 118.3(4) . . ?
C71 C72 C73 123.4(5) . . ?
C71 C72 H72 118.3 . . ?
C73 C72 H72 118.3 . . ?
C74 C73 C72 117.9(5) . . ?
C74 C73 H73 121.0 . . ?
C72 C73 H73 121.0 . . ?
C73 C74 C75 120.3(4) . . ?
C73 C74 H74 119.8 . . ?
C75 C74 H74 119.8 . . ?
C74 C75 C76 119.0(5) . . ?
C74 C75 H75 120.5 . . ?
C76 C75 H75 120.5 . . ?
C71 C76 C75 121.0(5) . . ?
C71 C76 H76 119.5 . . ?
C75 C76 H76 119.5 . . ?
C78 C77 C82 116.5(4) . . ?
C78 C77 P3 124.4(4) . . ?
C82 C77 P3 119.1(3) . . ?
C79 C78 C77 123.5(5) . . ?
C79 C78 H78 118.2 . . ?
C77 C78 H78 118.2 . . ?
C78 C79 C80 118.9(5) . . ?
C78 C79 H79 120.6 . . ?
C80 C79 H79 120.6 . . ?
C79 C80 C81 120.3(4) . . ?
C79 C80 H80 119.8 . . ?
C81 C80 H80 119.8 . . ?
C82 C81 C80 118.0(4) . . ?
C82 C81 H81 121.0 . . ?
C80 C81 H81 121.0 . . ?
C81 C82 C77 122.7(4) . . ?
C81 C82 H82 118.6 . . ?
C77 C82 H82 118.6 . . ?
C84 C83 C88 118.5(4) . . ?
C84 C83 P3 122.1(3) . . ?
C88 C83 P3 119.4(3) . . ?
C85 C84 C83 119.0(4) . . ?
C85 C84 H84 120.5 . . ?
C83 C84 H84 120.5 . . ?
C86 C85 C84 123.9(5) . . ?
C86 C85 H85 118.1 . . ?
C84 C85 H85 118.1 . . ?
C85 C86 C87 116.8(4) . . ?
C85 C86 H86 121.6 . . ?
C87 C86 H86 121.6 . . ?
C88 C87 C86 123.3(5) . . ?
C88 C87 H87 118.3 . . ?
C86 C87 H87 118.3 . . ?
C87 C88 C83 118.4(5) . . ?
C87 C88 H88 120.8 . . ?
C83 C88 H88 120.8 . . ?
C94 C89 C90 118.6(4) . . ?
C94 C89 P4 124.4(3) . . ?
C90 C89 P4 117.0(3) . . ?
C89 C90 C91 119.8(4) . . ?
C89 C90 H90 120.1 . . ?
C91 C90 H90 120.1 . . ?
C92 C91 C90 120.1(5) . . ?
C92 C91 H91 120.0 . . ?
C90 C91 H91 120.0 . . ?
C93 C92 C91 118.1(5) . . ?
C93 C92 H92 120.9 . . ?
C91 C92 H92 120.9 . . ?
C92 C93 C94 123.5(5) . . ?
C92 C93 H93 118.2 . . ?
C94 C93 H93 118.2 . . ?
C89 C94 C93 119.7(5) . . ?
C89 C94 H94 120.2 . . ?
C93 C94 H94 120.2 . . ?
C96 C95 C100 119.2(4) . . ?
C96 C95 P4 117.8(3) . . ?
C100 C95 P4 123.0(3) . . ?
C95 C96 C97 120.9(4) . . ?
C95 C96 H96 119.5 . . ?
C97 C96 H96 119.5 . . ?
C98 C97 C96 120.0(5) . . ?
C98 C97 H97 120.0 . . ?
C96 C97 H97 120.0 . . ?
C97 C98 C99 118.3(5) . . ?
C97 C98 H98 120.8 . . ?
C99 C98 H98 120.8 . . ?
C100 C99 C98 120.3(4) . . ?
C100 C99 H99 119.8 . . ?
C98 C99 H99 119.8 . . ?
C99 C100 C95 121.1(5) . . ?
C99 C100 H100 119.4 . . ?
C95 C100 H100 119.4 . . ?
C102 C101 C106 117.7(4) . . ?
C102 C101 P4 120.4(3) . . ?
C106 C101 P4 121.9(3) . . ?
C101 C102 C103 118.6(5) . . ?
C101 C102 H102 120.7 . . ?
C103 C102 H102 120.7 . . ?
C104 C103 C102 121.5(5) . . ?
C104 C103 H103 119.2 . . ?
C102 C103 H103 119.2 . . ?
C103 C104 C105 118.9(5) . . ?
C103 C104 H104 120.5 . . ?
C105 C104 H104 120.5 . . ?
C106 C105 C104 120.7(5) . . ?
C106 C105 H105 119.6 . . ?
C104 C105 H105 119.6 . . ?
C105 C106 C101 122.3(4) . . ?
C105 C106 H106 118.9 . . ?
C101 C106 H106 118.9 . . ?
C35 P1 C29 106.15(18) . . ?
C35 P1 C23 97.70(16) . . ?
C29 P1 C23 101.10(16) . . ?
C35 P1 Rh1 114.37(13) . . ?
C29 P1 Rh1 117.02(12) . . ?
C23 P1 Rh1 117.93(9) . . ?
C47 P2 C41 105.61(18) . . ?
C47 P2 C53 101.48(17) . . ?
C41 P2 C53 101.64(18) . . ?
C47 P2 Rh1 117.03(12) . . ?
C41 P2 Rh1 117.31(14) . . ?
C53 P2 Rh1 111.58(11) . . ?
C83 P3 C71 101.41(14) . . ?
C83 P3 C77 104.25(14) . . ?
C71 P3 C77 97.9(2) . . ?
C83 P3 Rh4 118.33(13) . . ?
C71 P3 Rh4 117.84(12) . . ?
C77 P3 Rh4 114.24(14) . . ?
C95 P4 C89 105.72(19) . . ?
C95 P4 C101 102.2(2) . . ?
C89 P4 C101 99.70(19) . . ?
C95 P4 Rh4 116.61(14) . . ?
C89 P4 Rh4 118.04(14) . . ?
C101 P4 Rh4 112.15(13) . . ?
F2 P5 F4 95.15(19) . . ?
F2 P5 F6 96.8(2) . . ?
F4 P5 F6 92.2(2) . . ?
F2 P5 F3 88.6(2) . . ?
F4 P5 F3 90.8(2) . . ?
F6 P5 F3 173.6(2) . . ?
F2 P5 F1 90.96(19) . . ?
F4 P5 F1 173.8(2) . . ?
F6 P5 F1 88.3(2) . . ?
F3 P5 F1 88.15(19) . . ?
F2 P5 F5 175.0(2) . . ?
F4 P5 F5 89.24(19) . . ?
F6 P5 F5 85.52(19) . . ?
F3 P5 F5 88.86(19) . . ?
F1 P5 F5 84.61(19) . . ?
F8 P6 F9 99.3(2) . . ?
F8 P6 F10 93.6(2) . . ?
F9 P6 F10 90.68(19) . . ?
F8 P6 F11 176.3(2) . . ?
F9 P6 F11 84.31(18) . . ?
F10 P6 F11 86.20(18) . . ?
F8 P6 F12 97.23(19) . . ?
F9 P6 F12 101.35(19) . . ?
F10 P6 F12 162.2(2) . . ?
F11 P6 F12 82.06(17) . . ?
F8 P6 F7 86.32(18) . . ?
F9 P6 F7 174.1(2) . . ?
F10 P6 F7 87.45(17) . . ?
F11 P6 F7 90.03(17) . . ?
F12 P6 F7 79.27(18) . . ?
P1 Rh1 P2 99.12(4) . . ?
P1 Rh1 S1 90.21(3) . . ?
P2 Rh1 S1 167.36(4) . . ?
P1 Rh1 S2 166.27(4) . . ?
P2 Rh1 S2 88.85(3) . . ?
S1 Rh1 S2 83.76(3) . . ?
P1 Rh1 Rh2 113.75(3) . . ?
P2 Rh1 Rh2 128.10(3) . . ?
S1 Rh1 Rh2 53.57(2) . . ?
S2 Rh1 Rh2 52.99(2) . . ?
C16 Rh2 C17 39.44(17) . . ?
C16 Rh2 C13 64.00(16) . . ?
C17 Rh2 C13 37.54(17) . . ?
C16 Rh2 C15 38.54(17) . . ?
C17 Rh2 C15 64.41(17) . . ?
C13 Rh2 C15 62.98(17) . . ?
C16 Rh2 C14 64.51(17) . . ?
C17 Rh2 C14 64.45(18) . . ?
C13 Rh2 C14 38.37(17) . . ?
C15 Rh2 C14 37.51(16) . . ?
C16 Rh2 S2 136.44(13) . . ?
C17 Rh2 S2 105.43(12) . . ?
C13 Rh2 S2 105.37(11) . . ?
C15 Rh2 S2 168.18(12) . . ?
C14 Rh2 S2 133.97(12) . . ?
C16 Rh2 S1 110.06(13) . . ?
C17 Rh2 S1 143.98(13) . . ?
C13 Rh2 S1 166.68(12) . . ?
C15 Rh2 S1 104.66(12) . . ?
C14 Rh2 S1 128.65(13) . . ?
S2 Rh2 S1 87.12(3) . . ?
C16 Rh2 Rh1 163.04(13) . . ?
C17 Rh2 Rh1 157.49(13) . . ?
C13 Rh2 Rh1 128.31(12) . . ?
C15 Rh2 Rh1 131.39(12) . . ?
C14 Rh2 Rh1 116.39(13) . . ?
S2 Rh2 Rh1 56.55(3) . . ?
S1 Rh2 Rh1 55.11(2) . . ?
C64 Rh3 C65 38.17(17) . . ?
C64 Rh3 C63 39.86(16) . . ?
C65 Rh3 C63 64.99(16) . . ?
C64 Rh3 C62 63.74(17) . . ?
C65 Rh3 C62 63.67(17) . . ?
C63 Rh3 C62 37.04(17) . . ?
C64 Rh3 C61 64.03(17) . . ?
C65 Rh3 C61 38.39(17) . . ?
C63 Rh3 C61 63.77(17) . . ?
C62 Rh3 C61 37.85(17) . . ?
C64 Rh3 S3 137.51(13) . . ?
C65 Rh3 S3 106.17(12) . . ?
C63 Rh3 S3 167.21(11) . . ?
C62 Rh3 S3 131.58(13) . . ?
C61 Rh3 S3 103.49(12) . . ?
C64 Rh3 S4 109.46(13) . . ?
C65 Rh3 S4 140.80(13) . . ?
C63 Rh3 S4 105.54(11) . . ?
C62 Rh3 S4 132.12(13) . . ?
C61 Rh3 S4 169.15(12) . . ?
S3 Rh3 S4 87.14(4) . . ?
C64 Rh3 Rh4 162.20(13) . . ?
C65 Rh3 Rh4 159.63(13) . . ?
C63 Rh3 Rh4 129.93(11) . . ?
C62 Rh3 Rh4 117.97(12) . . ?
C61 Rh3 Rh4 129.39(12) . . ?
S3 Rh3 Rh4 56.40(3) . . ?
S4 Rh3 Rh4 55.17(3) . . ?
P3 Rh4 P4 100.21(4) . . ?
P3 Rh4 S4 89.51(4) . . ?
P4 Rh4 S4 167.67(4) . . ?
P3 Rh4 S3 166.68(4) . . ?
P4 Rh4 S3 88.20(3) . . ?
S4 Rh4 S3 83.69(3) . . ?
P3 Rh4 Rh3 114.13(3) . . ?
P4 Rh4 Rh3 126.92(3) . . ?
S4 Rh4 Rh3 53.55(3) . . ?
S3 Rh4 Rh3 52.79(2) . . ?
B9 S1 Rh2 103.84(14) . . ?
B9 S1 Rh1 92.27(14) . . ?
Rh2 S1 Rh1 71.32(3) . . ?
B12 S2 Rh2 103.16(13) . . ?
B12 S2 Rh1 91.84(14) . . ?
Rh2 S2 Rh1 70.46(3) . . ?
B19 S3 Rh3 103.77(14) . . ?
B19 S3 Rh4 93.58(15) . . ?
Rh3 S3 Rh4 70.81(3) . . ?
B22 S4 Rh3 103.24(14) . . ?
B22 S4 Rh4 91.64(13) . . ?
Rh3 S4 Rh4 71.28(3) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.933
_refine_diff_density_min         -0.785
_refine_diff_density_rms         0.125
_database_code_depnum_ccdc_archive 'CCDC 996714'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_20120927a

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C31 H42 B9 Cl4 P Rh2 S2'
_chemical_formula_weight         954.65

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'
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'
Cl Cl 0.1484 0.1585 '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)/n

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                   10.1173(15)
_cell_length_b                   18.265(3)
_cell_length_c                   22.185(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 100.007(2)
_cell_angle_gamma                90.00
_cell_volume                     4037.3(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    291(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.571
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1912
_exptl_absorpt_coefficient_mu    1.249
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.840
_exptl_absorpt_correction_T_max  0.861
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      291(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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            30917
_diffrn_reflns_av_R_equivalents  0.0114
_diffrn_reflns_av_sigmaI/netI    0.0316
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.86
_diffrn_reflns_theta_max         26.00
_reflns_number_total             7918
_reflns_number_gt                6950
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0600P)²+1.9900P] 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         7918
_refine_ls_number_parameters     448
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0383
_refine_ls_R_factor_gt           0.0355
_refine_ls_wR_factor_ref         0.0966
_refine_ls_wR_factor_gt          0.0956
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.037
_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
B3 B 0.3769(3) 1.0341(2) 0.28248(17) 0.0432(8) Uani 1 1 d . . .
H3 H 0.4039 1.0868 0.3053 0.052 Uiso 1 1 calc R . .
B4 B 0.4084(3) 0.9519(2) 0.32143(16) 0.0418(7) Uani 1 1 d . . .
H4 H 0.4592 0.9508 0.3695 0.050 Uiso 1 1 calc R . .
B5 B 0.2724(3) 0.8911(2) 0.29325(16) 0.0411(7) Uani 1 1 d . . .
H5 H 0.2017 0.8565 0.3129 0.049 Uiso 1 1 calc R . .
B7 B 0.2486(4) 0.96191(19) 0.17396(16) 0.0419(7) Uani 1 1 d . . .
H7 H 0.1663 0.9624 0.1344 0.050 Uiso 1 1 calc R . .
B8 B 0.2777(3) 0.87433(18) 0.21331(15) 0.0372(7) Uani 1 1 d . . .
H8 H 0.1811 0.8971 0.2306 0.045 Uiso 1 1 d R . .
B9 B 0.4299(3) 0.88418(18) 0.26811(15) 0.0361(7) Uani 1 1 d . . .
B10 B 0.4948(3) 0.97295(18) 0.26253(16) 0.0381(7) Uani 1 1 d . . .
H10 H 0.6034 0.9838 0.2716 0.046 Uiso 1 1 calc R . .
B11 B 0.3847(4) 1.02115(19) 0.20454(17) 0.0432(8) Uani 1 1 d . . .
H11 H 0.4208 1.0646 0.1771 0.052 Uiso 1 1 calc R . .
B12 B 0.4125(3) 0.92677(18) 0.19444(15) 0.0382(7) Uani 1 1 d . . .
C1 C 0.2494(3) 0.97869(16) 0.29338(13) 0.0393(6) Uani 1 1 d . . .
H1 H 0.1839 0.9935 0.3256 0.047 Uiso 1 1 d R . .
C2 C 0.2351(3) 1.01659(17) 0.22989(14) 0.0422(7) Uani 1 1 d . . .
H2 H 0.1563 1.0552 0.2154 0.051 Uiso 1 1 d R . .
C13 C 0.9013(3) 0.81190(17) 0.27038(14) 0.0418(6) Uani 1 1 d . . .
C14 C 0.8820(3) 0.88532(17) 0.26625(15) 0.0444(7) Uani 1 1 d . . .
C15 C 0.8744(3) 0.90935(17) 0.20749(14) 0.0419(7) Uani 1 1 d . . .
C16 C 0.8869(3) 0.84483(18) 0.16965(14) 0.0423(7) Uani 1 1 d . . .
C17 C 0.9074(3) 0.78428(18) 0.21506(15) 0.0435(7) Uani 1 1 d . . .
C18 C 0.9167(3) 0.76409(19) 0.32666(16) 0.0490(8) Uani 1 1 d . . .
H18A H 0.8658 0.7199 0.3173 0.074 Uiso 1 1 calc R . .
H18B H 0.8843 0.7898 0.3589 0.074 Uiso 1 1 calc R . .
H18C H 1.0097 0.7521 0.3396 0.074 Uiso 1 1 calc R . .
C19 C 0.8784(3) 0.93495(19) 0.31958(15) 0.0492(7) Uani 1 1 d . . .
H19A H 0.7870 0.9474 0.3214 0.074 Uiso 1 1 calc R . .
H19B H 0.9281 0.9787 0.3149 0.074 Uiso 1 1 calc R . .
H19C H 0.9178 0.9105 0.3567 0.074 Uiso 1 1 calc R . .
C20 C 0.8567(3) 0.98664(18) 0.18551(16) 0.0472(7) Uani 1 1 d . . .
H20A H 0.7630 0.9990 0.1785 0.071 Uiso 1 1 calc R . .
H20B H 0.8910 0.9917 0.1480 0.071 Uiso 1 1 calc R . .
H20C H 0.9046 1.0189 0.2159 0.071 Uiso 1 1 calc R . .
C21 C 0.8851(3) 0.84691(19) 0.10105(15) 0.0468(7) Uani 1 1 d . . .
H21A H 0.8288 0.8864 0.0833 0.070 Uiso 1 1 calc R . .
H21B H 0.8508 0.8014 0.0831 0.070 Uiso 1 1 calc R . .
H21C H 0.9747 0.8543 0.0934 0.070 Uiso 1 1 calc R . .
C22 C 0.9327(3) 0.70759(19) 0.19715(17) 0.0533(8) Uani 1 1 d . . .
H22A H 1.0256 0.6957 0.2107 0.080 Uiso 1 1 calc R . .
H22B H 0.9113 0.7029 0.1534 0.080 Uiso 1 1 calc R . .
H22C H 0.8777 0.6747 0.2158 0.080 Uiso 1 1 calc R . .
C23 C 0.4647(3) 0.79373(15) 0.01656(13) 0.0357(6) Uani 1 1 d . . .
C24 C 0.5793(3) 0.80623(18) -0.00882(14) 0.0430(7) Uani 1 1 d . . .
H24 H 0.6495 0.7727 -0.0027 0.052 Uiso 1 1 calc R . .
C25 C 0.5884(3) 0.86894(18) -0.04337(14) 0.0445(7) Uani 1 1 d . . .
H25 H 0.6639 0.8768 -0.0612 0.053 Uiso 1 1 calc R . .
C26 C 0.4840(3) 0.92043(17) -0.05141(14) 0.0435(7) Uani 1 1 d . . .
H26 H 0.4903 0.9623 -0.0746 0.052 Uiso 1 1 calc R . .
C27 C 0.3766(3) 0.90952(19) -0.02611(14) 0.0461(7) Uani 1 1 d . . .
H27 H 0.3082 0.9442 -0.0314 0.055 Uiso 1 1 calc R . .
C28 C 0.3643(3) 0.84661(16) 0.00845(13) 0.0401(6) Uani 1 1 d . . .
H28 H 0.2882 0.8401 0.0262 0.048 Uiso 1 1 calc R . .
C29 C 0.2849(3) 0.68272(16) 0.03979(13) 0.0386(6) Uani 1 1 d . . .
C30 C 0.2263(3) 0.69085(17) -0.02205(14) 0.0432(7) Uani 1 1 d . . .
H30 H 0.2723 0.7161 -0.0484 0.052 Uiso 1 1 calc R . .
C31 C 0.1024(3) 0.66210(16) -0.04405(15) 0.0462(7) Uani 1 1 d . . .
H31 H 0.0653 0.6678 -0.0852 0.055 Uiso 1 1 calc R . .
C32 C 0.0315(3) 0.62451(17) -0.00540(14) 0.0443(7) Uani 1 1 d . . .
H32 H -0.0534 0.6058 -0.0202 0.053 Uiso 1 1 calc R . .
C33 C 0.0881(3) 0.61554(16) 0.05438(13) 0.0394(6) Uani 1 1 d . . .
H33 H 0.0410 0.5904 0.0804 0.047 Uiso 1 1 calc R . .
C34 C 0.2153(3) 0.64332(16) 0.07755(13) 0.0378(6) Uani 1 1 d . . .
H34 H 0.2533 0.6354 0.1183 0.045 Uiso 1 1 calc R . .
C35 C 0.5620(3) 0.64597(18) 0.04962(13) 0.0421(7) Uani 1 1 d . . .
C36 C 0.5497(3) 0.62036(18) -0.00910(15) 0.0489(8) Uani 1 1 d . . .
H36 H 0.4869 0.6411 -0.0400 0.059 Uiso 1 1 calc R . .
C37 C 0.6308(3) 0.56356(19) -0.02248(16) 0.0519(8) Uani 1 1 d . . .
H37 H 0.6212 0.5467 -0.0626 0.062 Uiso 1 1 calc R . .
C38 C 0.7215(3) 0.53258(17) 0.02016(14) 0.0436(7) Uani 1 1 d . . .
H38 H 0.7718 0.4931 0.0105 0.052 Uiso 1 1 calc R . .
C39 C 0.7407(3) 0.55988(17) 0.07975(13) 0.0416(7) Uani 1 1 d . . .
H39 H 0.8075 0.5409 0.1098 0.050 Uiso 1 1 calc R . .
C40 C 0.6582(3) 0.61576(17) 0.09328(13) 0.0399(6) Uani 1 1 d . . .
H40 H 0.6687 0.6332 0.1332 0.048 Uiso 1 1 calc R . .
C41 C 0.4883(3) 0.65638(18) 0.38339(15) 0.0493(8) Uani 1 1 d . . .
H41A H 0.4965 0.6253 0.3488 0.059 Uiso 1 1 calc R . .
H41B H 0.5630 0.6905 0.3891 0.059 Uiso 1 1 calc R . .
Cl1 Cl 0.47835(7) 0.63672(4) 0.20704(3) 0.04049(16) Uani 1 1 d . . .
Cl2 Cl 0.24838(7) 0.78365(4) 0.17539(3) 0.04022(16) Uani 1 1 d . . .
Cl3 Cl 0.33626(8) 0.70577(5) 0.36726(4) 0.05022(19) Uani 1 1 d . . .
Cl4 Cl 0.49619(8) 0.60457(5) 0.44638(4) 0.04849(19) Uani 1 1 d . . .
P1 P 0.45109(7) 0.71935(4) 0.06888(3) 0.03756(17) Uani 1 1 d . . .
Rh1 Rh 0.70987(2) 0.835071(13) 0.211259(10) 0.03752(8) Uani 1 1 d . . .
H50 H 0.6155 0.7598 0.1823 0.050(9) Uiso 1 1 d R . .
Rh2 Rh 0.48604(2) 0.757796(13) 0.169021(10) 0.03706(8) Uani 1 1 d . . .
S1 S 0.55014(7) 0.80390(4) 0.27312(3) 0.03808(16) Uani 1 1 d . . .
S2 S 0.52230(7) 0.88094(4) 0.14517(3) 0.03761(16) 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
B3 C1 1.689(5) . ?
B3 C2 1.714(5) . ?
B3 B4 1.733(5) . ?
B3 B10 1.746(5) . ?
B3 B11 1.760(5) . ?
B3 H3 1.1000 . ?
B4 C1 1.693(4) . ?
B4 B10 1.737(5) . ?
B4 B9 1.751(5) . ?
B4 B5 1.794(5) . ?
B4 H4 1.1000 . ?
B5 C1 1.616(5) . ?
B5 B9 1.782(4) . ?
B5 B8 1.810(5) . ?
B5 H5 1.1000 . ?
B5 H8 1.5330 . ?
B7 C2 1.617(4) . ?
B7 B12 1.762(5) . ?
B7 B11 1.789(5) . ?
B7 B8 1.822(5) . ?
B7 H7 1.1000 . ?
B8 B12 1.775(5) . ?
B8 B9 1.797(5) . ?
B8 Cl2 1.858(3) . ?
B8 H8 1.1856 . ?
B9 B10 1.762(5) . ?
B9 B12 1.791(5) . ?
B9 S1 1.896(3) . ?
B10 B11 1.781(5) . ?
B10 B12 1.803(5) . ?
B10 H10 1.1000 . ?
B11 C2 1.705(5) . ?
B11 B12 1.767(5) . ?
B11 H11 1.1000 . ?
B12 S2 1.885(3) . ?
C1 C2 1.554(4) . ?
C1 H1 1.0900 . ?
C2 H2 1.0716 . ?
C13 C17 1.338(4) . ?
C13 C14 1.356(4) . ?
C13 C18 1.509(4) . ?
C13 Rh1 2.184(3) . ?
C14 C15 1.365(4) . ?
C14 C19 1.496(4) . ?
C14 Rh1 2.151(3) . ?
C15 C16 1.465(4) . ?
C15 C20 1.494(4) . ?
C15 Rh1 2.160(3) . ?
C16 C17 1.486(5) . ?
C16 C21 1.519(4) . ?
C16 Rh1 2.160(3) . ?
C17 C22 1.490(5) . ?
C17 Rh1 2.191(3) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C28 1.391(4) . ?
C23 C24 1.393(4) . ?
C23 P1 1.808(3) . ?
C24 C25 1.390(4) . ?
C24 H24 0.9300 . ?
C25 C26 1.402(5) . ?
C25 H25 0.9300 . ?
C26 C27 1.322(4) . ?
C26 H26 0.9300 . ?
C27 C28 1.399(4) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 C34 1.386(4) . ?
C29 C30 1.405(4) . ?
C29 P1 1.821(3) . ?
C30 C31 1.368(4) . ?
C30 H30 0.9300 . ?
C31 C32 1.391(4) . ?
C31 H31 0.9300 . ?
C32 C33 1.360(4) . ?
C32 H32 0.9300 . ?
C33 C34 1.396(4) . ?
C33 H33 0.9300 . ?
C34 H34 0.9300 . ?
C35 C40 1.365(4) . ?
C35 C36 1.369(4) . ?
C35 P1 1.845(3) . ?
C36 C37 1.387(4) . ?
C36 H36 0.9300 . ?
C37 C38 1.325(4) . ?
C37 H37 0.9300 . ?
C38 C39 1.394(4) . ?
C38 H38 0.9300 . ?
C39 C40 1.384(4) . ?
C39 H39 0.9300 . ?
C40 H40 0.9300 . ?
C41 Cl4 1.678(3) . ?
C41 Cl3 1.766(4) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
Cl1 Rh2 2.3729(8) . ?
Cl2 Rh2 2.4784(8) . ?
P1 Rh2 2.2981(8) . ?
Rh1 S2 2.3422(8) . ?
Rh1 S1 2.3643(8) . ?
Rh1 Rh2 2.6946(4) . ?
Rh1 H50 1.7324 . ?
Rh2 S2 2.3539(8) . ?
Rh2 S1 2.4378(8) . ?
Rh2 H50 1.2921 . ?

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
C1 B3 C2 54.31(18) . . ?
C1 B3 B4 59.3(2) . . ?
C2 B3 B4 103.8(2) . . ?
C1 B3 B10 103.1(2) . . ?
C2 B3 B10 103.7(2) . . ?
B4 B3 B10 59.89(19) . . ?
C1 B3 B11 103.1(2) . . ?
C2 B3 B11 58.8(2) . . ?
B4 B3 B11 109.8(2) . . ?
B10 B3 B11 61.1(2) . . ?
C1 B3 H3 126.4 . . ?
C2 B3 H3 126.0 . . ?
B4 B3 H3 121.2 . . ?
B10 B3 H3 123.4 . . ?
B11 B3 H3 121.3 . . ?
C1 B4 B3 59.07(19) . . ?
C1 B4 B10 103.3(2) . . ?
B3 B4 B10 60.4(2) . . ?
C1 B4 B9 100.2(2) . . ?
B3 B4 B9 108.0(2) . . ?
B10 B4 B9 60.68(19) . . ?
C1 B4 B5 55.13(18) . . ?
B3 B4 B5 107.4(2) . . ?
B10 B4 B5 109.3(2) . . ?
B9 B4 B5 60.34(18) . . ?
C1 B4 H4 128.0 . . ?
B3 B4 H4 120.9 . . ?
B10 B4 H4 121.4 . . ?
B9 B4 H4 123.3 . . ?
B5 B4 H4 121.8 . . ?
C1 B5 B9 102.0(2) . . ?
C1 B5 B4 59.27(19) . . ?
B9 B5 B4 58.63(18) . . ?
C1 B5 B8 101.4(2) . . ?
B9 B5 B8 60.04(18) . . ?
B4 B5 B8 107.1(2) . . ?
C1 B5 H5 117.7 . . ?
B9 B5 H5 139.6 . . ?
B4 B5 H5 136.9 . . ?
B8 B5 H5 115.0 . . ?
C1 B5 H8 82.4 . . ?
B9 B5 H8 98.7 . . ?
B4 B5 H8 125.2 . . ?
B8 B5 H8 40.5 . . ?
H5 B5 H8 94.0 . . ?
C2 B7 B12 103.2(2) . . ?
C2 B7 B11 59.8(2) . . ?
B12 B7 B11 59.68(19) . . ?
C2 B7 B8 101.7(2) . . ?
B12 B7 B8 59.34(18) . . ?
B11 B7 B8 107.4(2) . . ?
C2 B7 H7 117.0 . . ?
B12 B7 H7 139.2 . . ?
B11 B7 H7 136.3 . . ?
B8 B7 H7 115.3 . . ?
B12 B8 B9 60.18(18) . . ?
B12 B8 B5 107.1(2) . . ?
B9 B8 B5 59.21(18) . . ?
B12 B8 B7 58.65(19) . . ?
B9 B8 B7 106.5(2) . . ?
B5 B8 B7 106.9(2) . . ?
B12 B8 Cl2 116.3(2) . . ?
B9 B8 Cl2 116.5(2) . . ?
B5 B8 Cl2 124.4(2) . . ?
B7 B8 Cl2 124.5(2) . . ?
B12 B8 H8 126.7 . . ?
B9 B8 H8 113.8 . . ?
B5 B8 H8 57.1 . . ?
B7 B8 H8 76.9 . . ?
Cl2 B8 H8 112.5 . . ?
B4 B9 B10 59.26(19) . . ?
B4 B9 B5 61.02(19) . . ?
B10 B9 B5 108.7(2) . . ?
B4 B9 B12 107.8(2) . . ?
B10 B9 B12 60.98(19) . . ?
B5 B9 B12 107.6(2) . . ?
B4 B9 B8 109.6(2) . . ?
B10 B9 B8 109.3(2) . . ?
B5 B9 B8 60.75(18) . . ?
B12 B9 B8 59.28(18) . . ?
B4 B9 S1 131.3(2) . . ?
B10 B9 S1 118.2(2) . . ?
B5 B9 S1 129.5(2) . . ?
B12 B9 S1 110.5(2) . . ?
B8 B9 S1 115.3(2) . . ?
B4 B10 B3 59.7(2) . . ?
B4 B10 B9 60.07(19) . . ?
B3 B10 B9 106.9(2) . . ?
B4 B10 B11 108.6(2) . . ?
B3 B10 B11 59.9(2) . . ?
B9 B10 B11 108.2(2) . . ?
B4 B10 B12 107.9(2) . . ?
B3 B10 B12 106.0(2) . . ?
B9 B10 B12 60.31(19) . . ?
B11 B10 B12 59.08(19) . . ?
B4 B10 H10 121.3 . . ?
B3 B10 H10 122.9 . . ?
B9 B10 H10 121.7 . . ?
B11 B10 H10 121.5 . . ?
B12 B10 H10 122.6 . . ?
C2 B11 B3 59.26(19) . . ?
C2 B11 B12 99.4(2) . . ?
B3 B11 B12 106.9(2) . . ?
C2 B11 B10 102.5(2) . . ?
B3 B11 B10 59.06(19) . . ?
B12 B11 B10 61.06(19) . . ?
C2 B11 B7 55.07(18) . . ?
B3 B11 B7 106.9(2) . . ?
B12 B11 B7 59.39(19) . . ?
B10 B11 B7 108.6(2) . . ?
C2 B11 H11 128.1 . . ?
B3 B11 H11 121.5 . . ?
B12 B11 H11 123.9 . . ?
B10 B11 H11 122.0 . . ?
B7 B11 H11 122.2 . . ?
B7 B12 B11 60.9(2) . . ?
B7 B12 B8 62.0(2) . . ?
B11 B12 B8 110.5(2) . . ?
B7 B12 B9 109.4(2) . . ?
B11 B12 B9 107.5(2) . . ?
B8 B12 B9 60.54(18) . . ?
B7 B12 B10 108.8(2) . . ?
B11 B12 B10 59.86(19) . . ?
B8 B12 B10 108.5(2) . . ?
B9 B12 B10 58.71(18) . . ?
B7 B12 S2 129.4(2) . . ?
B11 B12 S2 129.0(2) . . ?
B8 B12 S2 116.8(2) . . ?
B9 B12 S2 111.2(2) . . ?
B10 B12 S2 117.4(2) . . ?
C2 C1 B5 115.5(2) . . ?
C2 C1 B3 63.7(2) . . ?
B5 C1 B3 118.6(2) . . ?
C2 C1 B4 113.2(2) . . ?
B5 C1 B4 65.6(2) . . ?
B3 C1 B4 61.6(2) . . ?
C2 C1 H1 120.9 . . ?
B5 C1 H1 110.6 . . ?
B3 C1 H1 120.7 . . ?
B4 C1 H1 118.5 . . ?
C1 C2 B7 114.4(3) . . ?
C1 C2 B11 111.9(2) . . ?
B7 C2 B11 65.1(2) . . ?
C1 C2 B3 62.0(2) . . ?
B7 C2 B3 117.7(2) . . ?
B11 C2 B3 62.0(2) . . ?
C1 C2 H2 120.8 . . ?
B7 C2 H2 109.5 . . ?
B11 C2 H2 121.7 . . ?
B3 C2 H2 124.9 . . ?
C17 C13 C14 109.9(3) . . ?
C17 C13 C18 121.7(3) . . ?
C14 C13 C18 128.4(3) . . ?
C17 C13 Rh1 72.50(19) . . ?
C14 C13 Rh1 70.45(18) . . ?
C18 C13 Rh1 124.2(2) . . ?
C13 C14 C15 111.5(3) . . ?
C13 C14 C19 124.7(3) . . ?
C15 C14 C19 123.7(3) . . ?
C13 C14 Rh1 73.10(18) . . ?
C15 C14 Rh1 71.93(18) . . ?
C19 C14 Rh1 125.4(2) . . ?
C14 C15 C16 107.0(3) . . ?
C14 C15 C20 126.8(3) . . ?
C16 C15 C20 126.2(3) . . ?
C14 C15 Rh1 71.15(17) . . ?
C16 C15 Rh1 70.15(16) . . ?
C20 C15 Rh1 123.8(2) . . ?
C15 C16 C17 103.1(3) . . ?
C15 C16 C21 124.5(3) . . ?
C17 C16 C21 132.3(3) . . ?
C15 C16 Rh1 70.20(16) . . ?
C17 C16 Rh1 71.18(16) . . ?
C21 C16 Rh1 124.3(2) . . ?
C13 C17 C16 108.5(3) . . ?
C13 C17 C22 129.5(3) . . ?
C16 C17 C22 121.9(3) . . ?
C13 C17 Rh1 71.88(19) . . ?
C16 C17 Rh1 68.89(17) . . ?
C22 C17 Rh1 125.9(2) . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C28 C23 C24 118.3(3) . . ?
C28 C23 P1 118.0(2) . . ?
C24 C23 P1 123.0(2) . . ?
C25 C24 C23 119.9(3) . . ?
C25 C24 H24 120.1 . . ?
C23 C24 H24 120.1 . . ?
C24 C25 C26 120.1(3) . . ?
C24 C25 H25 119.9 . . ?
C26 C25 H25 119.9 . . ?
C27 C26 C25 120.1(3) . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C26 C27 C28 121.0(3) . . ?
C26 C27 H27 119.5 . . ?
C28 C27 H27 119.5 . . ?
C23 C28 C27 120.5(3) . . ?
C23 C28 H28 119.7 . . ?
C27 C28 H28 119.7 . . ?
C34 C29 C30 118.2(3) . . ?
C34 C29 P1 120.8(2) . . ?
C30 C29 P1 121.0(2) . . ?
C31 C30 C29 120.8(3) . . ?
C31 C30 H30 119.6 . . ?
C29 C30 H30 119.6 . . ?
C30 C31 C32 120.5(3) . . ?
C30 C31 H31 119.7 . . ?
C32 C31 H31 119.7 . . ?
C33 C32 C31 119.1(3) . . ?
C33 C32 H32 120.5 . . ?
C31 C32 H32 120.5 . . ?
C32 C33 C34 121.3(3) . . ?
C32 C33 H33 119.3 . . ?
C34 C33 H33 119.3 . . ?
C29 C34 C33 119.9(3) . . ?
C29 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C40 C35 C36 118.2(3) . . ?
C40 C35 P1 121.1(2) . . ?
C36 C35 P1 120.7(2) . . ?
C35 C36 C37 120.0(3) . . ?
C35 C36 H36 120.0 . . ?
C37 C36 H36 120.0 . . ?
C38 C37 C36 121.9(3) . . ?
C38 C37 H37 119.0 . . ?
C36 C37 H37 119.0 . . ?
C37 C38 C39 119.3(3) . . ?
C37 C38 H38 120.4 . . ?
C39 C38 H38 120.4 . . ?
C40 C39 C38 118.7(3) . . ?
C40 C39 H39 120.7 . . ?
C38 C39 H39 120.7 . . ?
C35 C40 C39 121.8(3) . . ?
C35 C40 H40 119.1 . . ?
C39 C40 H40 119.1 . . ?
Cl4 C41 Cl3 111.74(19) . . ?
Cl4 C41 H41A 109.3 . . ?
Cl3 C41 H41A 109.3 . . ?
Cl4 C41 H41B 109.3 . . ?
Cl3 C41 H41B 109.3 . . ?
H41A C41 H41B 107.9 . . ?
B8 Cl2 Rh2 96.63(10) . . ?
C23 P1 C29 102.56(13) . . ?
C23 P1 C35 106.25(14) . . ?
C29 P1 C35 102.27(14) . . ?
C23 P1 Rh2 112.03(10) . . ?
C29 P1 Rh2 115.62(10) . . ?
C35 P1 Rh2 116.63(10) . . ?
C14 Rh1 C16 63.73(12) . . ?
C14 Rh1 C15 36.92(12) . . ?
C16 Rh1 C15 39.64(12) . . ?
C14 Rh1 C13 36.45(12) . . ?
C16 Rh1 C13 63.76(12) . . ?
C15 Rh1 C13 62.35(12) . . ?
C14 Rh1 C17 61.03(12) . . ?
C16 Rh1 C17 39.93(12) . . ?
C15 Rh1 C17 64.13(12) . . ?
C13 Rh1 C17 35.62(12) . . ?
C14 Rh1 S2 133.68(9) . . ?
C16 Rh1 S2 110.16(9) . . ?
C15 Rh1 S2 107.28(8) . . ?
C13 Rh1 S2 169.41(8) . . ?
C17 Rh1 S2 144.07(9) . . ?
C14 Rh1 S1 109.95(9) . . ?
C16 Rh1 S1 165.70(9) . . ?
C15 Rh1 S1 141.51(9) . . ?
C13 Rh1 S1 103.24(8) . . ?
C17 Rh1 S1 125.90(9) . . ?
S2 Rh1 S1 83.59(3) . . ?
C14 Rh1 Rh2 165.83(9) . . ?
C16 Rh1 Rh2 127.14(8) . . ?
C15 Rh1 Rh2 157.24(8) . . ?
C13 Rh1 Rh2 135.36(8) . . ?
C17 Rh1 Rh2 119.82(8) . . ?
S2 Rh1 Rh2 55.19(2) . . ?
S1 Rh1 Rh2 57.17(2) . . ?
C14 Rh1 H50 152.7 . . ?
C16 Rh1 H50 110.6 . . ?
C15 Rh1 H50 149.6 . . ?
C13 Rh1 H50 116.3 . . ?
C17 Rh1 H50 96.8 . . ?
S2 Rh1 H50 73.6 . . ?
S1 Rh1 H50 68.6 . . ?
Rh2 Rh1 H50 23.0 . . ?
P1 Rh2 S2 94.50(3) . . ?
P1 Rh2 Cl1 92.86(3) . . ?
S2 Rh2 Cl1 170.54(3) . . ?
P1 Rh2 S1 172.91(3) . . ?
S2 Rh2 S1 81.76(3) . . ?
Cl1 Rh2 S1 90.28(3) . . ?
P1 Rh2 Cl2 97.21(3) . . ?
S2 Rh2 Cl2 91.23(3) . . ?
Cl1 Rh2 Cl2 93.74(3) . . ?
S1 Rh2 Cl2 88.93(2) . . ?
P1 Rh2 Rh1 118.36(2) . . ?
S2 Rh2 Rh1 54.780(19) . . ?
Cl1 Rh2 Rh1 116.23(2) . . ?
S1 Rh2 Rh1 54.582(18) . . ?
Cl2 Rh2 Rh1 130.20(2) . . ?
P1 Rh2 H50 102.0 . . ?
S2 Rh2 H50 80.4 . . ?
Cl1 Rh2 H50 92.3 . . ?
S1 Rh2 H50 71.5 . . ?
Cl2 Rh2 H50 159.5 . . ?
Rh1 Rh2 H50 31.6 . . ?
B9 S1 Rh1 106.02(10) . . ?
B9 S1 Rh2 98.58(10) . . ?
Rh1 S1 Rh2 68.25(2) . . ?
B12 S2 Rh1 106.92(11) . . ?
B12 S2 Rh2 99.40(11) . . ?
Rh1 S2 Rh2 70.03(2) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2 B3 B4 C1 -32.4(2) . . . . ?
B10 B3 B4 C1 -130.4(2) . . . . ?
B11 B3 B4 C1 -93.8(3) . . . . ?
C1 B3 B4 B10 130.4(2) . . . . ?
C2 B3 B4 B10 98.0(3) . . . . ?
B11 B3 B4 B10 36.6(2) . . . . ?
C1 B3 B4 B9 91.3(3) . . . . ?
C2 B3 B4 B9 58.9(3) . . . . ?
B10 B3 B4 B9 -39.1(2) . . . . ?
B11 B3 B4 B9 -2.5(3) . . . . ?
C1 B3 B4 B5 27.7(2) . . . . ?
C2 B3 B4 B5 -4.8(3) . . . . ?
B10 B3 B4 B5 -102.8(3) . . . . ?
B11 B3 B4 B5 -66.1(3) . . . . ?
B3 B4 B5 C1 -29.0(2) . . . . ?
B10 B4 B5 C1 -93.0(3) . . . . ?
B9 B4 B5 C1 -130.2(3) . . . . ?
C1 B4 B5 B9 130.2(3) . . . . ?
B3 B4 B5 B9 101.2(3) . . . . ?
B10 B4 B5 B9 37.2(2) . . . . ?
C1 B4 B5 B8 93.3(3) . . . . ?
B3 B4 B5 B8 64.3(3) . . . . ?
B10 B4 B5 B8 0.3(3) . . . . ?
B9 B4 B5 B8 -36.9(2) . . . . ?
C1 B5 B8 B12 59.5(3) . . . . ?
B9 B5 B8 B12 -37.9(2) . . . . ?
B4 B5 B8 B12 -1.6(3) . . . . ?
C1 B5 B8 B9 97.4(2) . . . . ?
B4 B5 B8 B9 36.3(2) . . . . ?
C1 B5 B8 B7 -2.1(3) . . . . ?
B9 B5 B8 B7 -99.5(2) . . . . ?
B4 B5 B8 B7 -63.2(3) . . . . ?
C1 B5 B8 Cl2 -159.8(2) . . . . ?
B9 B5 B8 Cl2 102.8(3) . . . . ?
B4 B5 B8 Cl2 139.1(2) . . . . ?
C2 B7 B8 B12 -98.5(3) . . . . ?
B11 B7 B8 B12 -36.7(2) . . . . ?
C2 B7 B8 B9 -60.5(3) . . . . ?
B12 B7 B8 B9 38.0(2) . . . . ?
B11 B7 B8 B9 1.3(3) . . . . ?
C2 B7 B8 B5 1.6(3) . . . . ?
B12 B7 B8 B5 100.1(2) . . . . ?
B11 B7 B8 B5 63.4(3) . . . . ?
C2 B7 B8 Cl2 159.3(2) . . . . ?
B12 B7 B8 Cl2 -102.2(3) . . . . ?
B11 B7 B8 Cl2 -138.9(2) . . . . ?
C1 B4 B9 B10 99.6(2) . . . . ?
B3 B4 B9 B10 39.0(2) . . . . ?
B5 B4 B9 B10 139.1(3) . . . . ?
C1 B4 B9 B5 -39.5(2) . . . . ?
B3 B4 B9 B5 -100.2(3) . . . . ?
B10 B4 B9 B5 -139.1(3) . . . . ?
C1 B4 B9 B12 61.2(3) . . . . ?
B3 B4 B9 B12 0.6(3) . . . . ?
B10 B4 B9 B12 -38.4(2) . . . . ?
B5 B4 B9 B12 100.7(2) . . . . ?
C1 B4 B9 B8 -1.7(3) . . . . ?
B3 B4 B9 B8 -62.4(3) . . . . ?
B10 B4 B9 B8 -101.3(3) . . . . ?
B5 B4 B9 B8 37.8(2) . . . . ?
C1 B4 B9 S1 -158.3(2) . . . . ?
B3 B4 B9 S1 141.1(2) . . . . ?
B10 B4 B9 S1 102.1(3) . . . . ?
B5 B4 B9 S1 -118.8(3) . . . . ?
C1 B5 B9 B4 42.2(2) . . . . ?
B8 B5 B9 B4 138.6(2) . . . . ?
C1 B5 B9 B10 5.7(3) . . . . ?
B4 B5 B9 B10 -36.4(2) . . . . ?
B8 B5 B9 B10 102.1(3) . . . . ?
C1 B5 B9 B12 -58.8(3) . . . . ?
B4 B5 B9 B12 -101.0(3) . . . . ?
B8 B5 B9 B12 37.6(2) . . . . ?
C1 B5 B9 B8 -96.4(2) . . . . ?
B4 B5 B9 B8 -138.6(2) . . . . ?
C1 B5 B9 S1 163.6(2) . . . . ?
B4 B5 B9 S1 121.5(3) . . . . ?
B8 B5 B9 S1 -100.0(3) . . . . ?
B12 B8 B9 B4 99.5(3) . . . . ?
B5 B8 B9 B4 -37.9(2) . . . . ?
B7 B8 B9 B4 62.2(3) . . . . ?
Cl2 B8 B9 B4 -153.9(2) . . . . ?
B12 B8 B9 B10 36.3(2) . . . . ?
B5 B8 B9 B10 -101.2(3) . . . . ?
B7 B8 B9 B10 -1.0(3) . . . . ?
Cl2 B8 B9 B10 142.9(2) . . . . ?
B12 B8 B9 B5 137.5(2) . . . . ?
B7 B8 B9 B5 100.2(2) . . . . ?
Cl2 B8 B9 B5 -116.0(3) . . . . ?
B5 B8 B9 B12 -137.5(2) . . . . ?
B7 B8 B9 B12 -37.3(2) . . . . ?
Cl2 B8 B9 B12 106.6(2) . . . . ?
B12 B8 B9 S1 -99.7(2) . . . . ?
B5 B8 B9 S1 122.8(2) . . . . ?
B7 B8 B9 S1 -137.0(2) . . . . ?
Cl2 B8 B9 S1 6.8(3) . . . . ?
C1 B4 B10 B3 42.1(2) . . . . ?
B9 B4 B10 B3 136.5(3) . . . . ?
B5 B4 B10 B3 99.5(3) . . . . ?
C1 B4 B10 B9 -94.4(2) . . . . ?
B3 B4 B10 B9 -136.5(3) . . . . ?
B5 B4 B10 B9 -37.0(2) . . . . ?
C1 B4 B10 B11 6.3(3) . . . . ?
B3 B4 B10 B11 -35.8(2) . . . . ?
B9 B4 B10 B11 100.7(3) . . . . ?
B5 B4 B10 B11 63.6(3) . . . . ?
C1 B4 B10 B12 -56.2(3) . . . . ?
B3 B4 B10 B12 -98.4(3) . . . . ?
B9 B4 B10 B12 38.1(2) . . . . ?
B5 B4 B10 B12 1.1(3) . . . . ?
C1 B3 B10 B4 -42.2(2) . . . . ?
C2 B3 B10 B4 -98.2(3) . . . . ?
B11 B3 B10 B4 -140.1(3) . . . . ?
C1 B3 B10 B9 -3.7(3) . . . . ?
C2 B3 B10 B9 -59.6(3) . . . . ?
B4 B3 B10 B9 38.6(2) . . . . ?
B11 B3 B10 B9 -101.5(3) . . . . ?
C1 B3 B10 B11 97.9(3) . . . . ?
C2 B3 B10 B11 41.9(2) . . . . ?
B4 B3 B10 B11 140.1(3) . . . . ?
C1 B3 B10 B12 59.5(3) . . . . ?
C2 B3 B10 B12 3.5(3) . . . . ?
B4 B3 B10 B12 101.7(3) . . . . ?
B11 B3 B10 B12 -38.4(2) . . . . ?
B5 B9 B10 B4 37.2(2) . . . . ?
B12 B9 B10 B4 137.4(2) . . . . ?
B8 B9 B10 B4 101.8(3) . . . . ?
S1 B9 B10 B4 -123.6(3) . . . . ?
B4 B9 B10 B3 -38.4(2) . . . . ?
B5 B9 B10 B3 -1.2(3) . . . . ?
B12 B9 B10 B3 99.1(3) . . . . ?
B8 B9 B10 B3 63.5(3) . . . . ?
S1 B9 B10 B3 -161.9(2) . . . . ?
B4 B9 B10 B11 -101.5(3) . . . . ?
B5 B9 B10 B11 -64.3(3) . . . . ?
B12 B9 B10 B11 36.0(2) . . . . ?
B8 B9 B10 B11 0.4(3) . . . . ?
S1 B9 B10 B11 135.0(2) . . . . ?
B4 B9 B10 B12 -137.4(2) . . . . ?
B5 B9 B10 B12 -100.3(3) . . . . ?
B8 B9 B10 B12 -35.6(2) . . . . ?
S1 B9 B10 B12 99.0(2) . . . . ?
C1 B3 B11 C2 32.7(2) . . . . ?
B4 B3 B11 C2 94.5(3) . . . . ?
B10 B3 B11 C2 130.6(3) . . . . ?
C1 B3 B11 B12 -58.4(3) . . . . ?
C2 B3 B11 B12 -91.1(3) . . . . ?
B4 B3 B11 B12 3.4(3) . . . . ?
B10 B3 B11 B12 39.5(2) . . . . ?
C1 B3 B11 B10 -97.9(3) . . . . ?
C2 B3 B11 B10 -130.6(3) . . . . ?
B4 B3 B11 B10 -36.1(2) . . . . ?
C1 B3 B11 B7 4.0(3) . . . . ?
C2 B3 B11 B7 -28.7(2) . . . . ?
B4 B3 B11 B7 65.7(3) . . . . ?
B10 B3 B11 B7 101.9(3) . . . . ?
B4 B10 B11 C2 -6.2(3) . . . . ?
B3 B10 B11 C2 -41.9(2) . . . . ?
B9 B10 B11 C2 57.5(3) . . . . ?
B12 B10 B11 C2 94.0(2) . . . . ?
B4 B10 B11 B3 35.8(2) . . . . ?
B9 B10 B11 B3 99.4(3) . . . . ?
B12 B10 B11 B3 135.9(3) . . . . ?
B4 B10 B11 B12 -100.1(3) . . . . ?
B3 B10 B11 B12 -135.9(3) . . . . ?
B9 B10 B11 B12 -36.5(2) . . . . ?
B4 B10 B11 B7 -63.2(3) . . . . ?
B3 B10 B11 B7 -99.0(3) . . . . ?
B9 B10 B11 B7 0.4(3) . . . . ?
B12 B10 B11 B7 36.9(2) . . . . ?
B12 B7 B11 C2 -130.2(3) . . . . ?
B8 B7 B11 C2 -93.6(3) . . . . ?
C2 B7 B11 B3 30.3(2) . . . . ?
B12 B7 B11 B3 -100.0(3) . . . . ?
B8 B7 B11 B3 -63.4(3) . . . . ?
C2 B7 B11 B12 130.2(3) . . . . ?
B8 B7 B11 B12 36.6(2) . . . . ?
C2 B7 B11 B10 92.6(3) . . . . ?
B12 B7 B11 B10 -37.7(2) . . . . ?
B8 B7 B11 B10 -1.1(3) . . . . ?
C2 B7 B12 B11 -42.7(2) . . . . ?
B8 B7 B12 B11 -138.6(2) . . . . ?
C2 B7 B12 B8 95.9(3) . . . . ?
B11 B7 B12 B8 138.6(2) . . . . ?
C2 B7 B12 B9 57.0(3) . . . . ?
B11 B7 B12 B9 99.7(3) . . . . ?
B8 B7 B12 B9 -38.9(2) . . . . ?
C2 B7 B12 B10 -5.5(3) . . . . ?
B11 B7 B12 B10 37.2(2) . . . . ?
B8 B7 B12 B10 -101.4(2) . . . . ?
C2 B7 B12 S2 -161.1(2) . . . . ?
B11 B7 B12 S2 -118.4(3) . . . . ?
B8 B7 B12 S2 103.0(3) . . . . ?
C2 B11 B12 B7 39.4(2) . . . . ?
B3 B11 B12 B7 100.0(3) . . . . ?
B10 B11 B12 B7 138.6(2) . . . . ?
C2 B11 B12 B8 0.8(3) . . . . ?
B3 B11 B12 B8 61.4(3) . . . . ?
B10 B11 B12 B8 100.0(3) . . . . ?
B7 B11 B12 B8 -38.6(2) . . . . ?
C2 B11 B12 B9 -63.5(3) . . . . ?
B3 B11 B12 B9 -2.9(3) . . . . ?
B10 B11 B12 B9 35.6(2) . . . . ?
B7 B11 B12 B9 -102.9(2) . . . . ?
C2 B11 B12 B10 -99.2(2) . . . . ?
B3 B11 B12 B10 -38.6(2) . . . . ?
B7 B11 B12 B10 -138.6(2) . . . . ?
C2 B11 B12 S2 158.4(2) . . . . ?
B3 B11 B12 S2 -141.0(3) . . . . ?
B10 B11 B12 S2 -102.4(3) . . . . ?
B7 B11 B12 S2 119.0(3) . . . . ?
B9 B8 B12 B7 -137.1(2) . . . . ?
B5 B8 B12 B7 -99.7(2) . . . . ?
Cl2 B8 B12 B7 116.0(2) . . . . ?
B9 B8 B12 B11 -99.0(3) . . . . ?
B5 B8 B12 B11 -61.6(3) . . . . ?
B7 B8 B12 B11 38.1(2) . . . . ?
Cl2 B8 B12 B11 154.1(2) . . . . ?
B5 B8 B12 B9 37.4(2) . . . . ?
B7 B8 B12 B9 137.1(2) . . . . ?
Cl2 B8 B12 B9 -106.9(2) . . . . ?
B9 B8 B12 B10 -35.1(2) . . . . ?
B5 B8 B12 B10 2.3(3) . . . . ?
B7 B8 B12 B10 102.0(3) . . . . ?
Cl2 B8 B12 B10 -142.0(2) . . . . ?
B9 B8 B12 S2 100.4(2) . . . . ?
B5 B8 B12 S2 137.8(2) . . . . ?
B7 B8 B12 S2 -122.5(3) . . . . ?
Cl2 B8 B12 S2 -6.5(3) . . . . ?
B4 B9 B12 B7 -63.1(3) . . . . ?
B10 B9 B12 B7 -100.7(3) . . . . ?
B5 B9 B12 B7 1.3(3) . . . . ?
B8 B9 B12 B7 39.6(2) . . . . ?
S1 B9 B12 B7 147.6(2) . . . . ?
B4 B9 B12 B11 1.5(3) . . . . ?
B10 B9 B12 B11 -36.1(2) . . . . ?
B5 B9 B12 B11 65.9(3) . . . . ?
B8 B9 B12 B11 104.2(3) . . . . ?
S1 B9 B12 B11 -147.8(2) . . . . ?
B4 B9 B12 B8 -102.7(2) . . . . ?
B10 B9 B12 B8 -140.3(2) . . . . ?
B5 B9 B12 B8 -38.2(2) . . . . ?
S1 B9 B12 B8 108.0(2) . . . . ?
B4 B9 B12 B10 37.6(2) . . . . ?
B5 B9 B12 B10 102.1(3) . . . . ?
B8 B9 B12 B10 140.3(2) . . . . ?
S1 B9 B12 B10 -111.7(2) . . . . ?
B4 B9 B12 S2 147.7(2) . . . . ?
B10 B9 B12 S2 110.0(2) . . . . ?
B5 B9 B12 S2 -147.9(2) . . . . ?
B8 B9 B12 S2 -109.7(2) . . . . ?
S1 B9 B12 S2 -1.7(3) . . . . ?
B4 B10 B12 B7 63.7(3) . . . . ?
B3 B10 B12 B7 1.1(3) . . . . ?
B9 B10 B12 B7 101.8(3) . . . . ?
B11 B10 B12 B7 -37.7(2) . . . . ?
B4 B10 B12 B11 101.4(3) . . . . ?
B3 B10 B12 B11 38.7(2) . . . . ?
B9 B10 B12 B11 139.4(2) . . . . ?
B4 B10 B12 B8 -2.1(3) . . . . ?
B3 B10 B12 B8 -64.8(3) . . . . ?
B9 B10 B12 B8 35.9(2) . . . . ?
B11 B10 B12 B8 -103.5(3) . . . . ?
B4 B10 B12 B9 -38.0(2) . . . . ?
B3 B10 B12 B9 -100.7(3) . . . . ?
B11 B10 B12 B9 -139.4(2) . . . . ?
B4 B10 B12 S2 -137.3(2) . . . . ?
B3 B10 B12 S2 160.0(2) . . . . ?
B9 B10 B12 S2 -99.3(2) . . . . ?
B11 B10 B12 S2 121.3(3) . . . . ?
B9 B5 C1 C2 63.5(3) . . . . ?
B4 B5 C1 C2 105.3(3) . . . . ?
B8 B5 C1 C2 2.0(3) . . . . ?
B9 B5 C1 B3 -9.1(3) . . . . ?
B4 B5 C1 B3 32.8(3) . . . . ?
B8 B5 C1 B3 -70.5(3) . . . . ?
B9 B5 C1 B4 -41.8(2) . . . . ?
B8 B5 C1 B4 -103.3(2) . . . . ?
B4 B3 C1 C2 -140.1(2) . . . . ?
B10 B3 C1 C2 -97.6(3) . . . . ?
B11 B3 C1 C2 -34.7(2) . . . . ?
C2 B3 C1 B5 106.1(3) . . . . ?
B4 B3 C1 B5 -34.0(3) . . . . ?
B10 B3 C1 B5 8.5(4) . . . . ?
B11 B3 C1 B5 71.4(3) . . . . ?
C2 B3 C1 B4 140.1(2) . . . . ?
B10 B3 C1 B4 42.5(2) . . . . ?
B11 B3 C1 B4 105.4(3) . . . . ?
B3 B4 C1 C2 38.7(2) . . . . ?
B10 B4 C1 C2 -4.2(3) . . . . ?
B9 B4 C1 C2 -66.2(3) . . . . ?
B5 B4 C1 C2 -108.6(3) . . . . ?
B3 B4 C1 B5 147.3(3) . . . . ?
B10 B4 C1 B5 104.5(2) . . . . ?
B9 B4 C1 B5 42.4(2) . . . . ?
B10 B4 C1 B3 -42.9(2) . . . . ?
B9 B4 C1 B3 -104.9(2) . . . . ?
B5 B4 C1 B3 -147.3(3) . . . . ?
B5 C1 C2 B7 -1.1(4) . . . . ?
B3 C1 C2 B7 109.7(3) . . . . ?
B4 C1 C2 B7 71.8(3) . . . . ?
B5 C1 C2 B11 -72.7(3) . . . . ?
B3 C1 C2 B11 38.1(2) . . . . ?
B4 C1 C2 B11 0.2(3) . . . . ?
B5 C1 C2 B3 -110.8(3) . . . . ?
B4 C1 C2 B3 -37.9(2) . . . . ?
B12 B7 C2 C1 -61.3(3) . . . . ?
B11 B7 C2 C1 -103.9(3) . . . . ?
B8 B7 C2 C1 -0.4(3) . . . . ?
B12 B7 C2 B11 42.6(2) . . . . ?
B8 B7 C2 B11 103.5(2) . . . . ?
B12 B7 C2 B3 8.6(4) . . . . ?
B11 B7 C2 B3 -34.0(3) . . . . ?
B8 B7 C2 B3 69.5(3) . . . . ?
B3 B11 C2 C1 -38.1(2) . . . . ?
B12 B11 C2 C1 66.0(3) . . . . ?
B10 B11 C2 C1 3.7(3) . . . . ?
B7 B11 C2 C1 107.7(3) . . . . ?
B3 B11 C2 B7 -145.9(3) . . . . ?
B12 B11 C2 B7 -41.8(2) . . . . ?
B10 B11 C2 B7 -104.0(3) . . . . ?
B12 B11 C2 B3 104.1(3) . . . . ?
B10 B11 C2 B3 41.8(2) . . . . ?
B7 B11 C2 B3 145.9(3) . . . . ?
B4 B3 C2 C1 34.6(2) . . . . ?
B10 B3 C2 C1 96.4(3) . . . . ?
B11 B3 C2 C1 139.6(3) . . . . ?
C1 B3 C2 B7 -104.5(3) . . . . ?
B4 B3 C2 B7 -69.9(3) . . . . ?
B10 B3 C2 B7 -8.0(4) . . . . ?
B11 B3 C2 B7 35.1(3) . . . . ?
C1 B3 C2 B11 -139.6(3) . . . . ?
B4 B3 C2 B11 -105.0(3) . . . . ?
B10 B3 C2 B11 -43.1(2) . . . . ?
C17 C13 C14 C15 0.0(4) . . . . ?
C18 C13 C14 C15 179.2(3) . . . . ?
Rh1 C13 C14 C15 -62.1(2) . . . . ?
C17 C13 C14 C19 -176.2(3) . . . . ?
C18 C13 C14 C19 3.0(5) . . . . ?
Rh1 C13 C14 C19 121.7(3) . . . . ?
C17 C13 C14 Rh1 62.1(2) . . . . ?
C18 C13 C14 Rh1 -118.7(3) . . . . ?
C13 C14 C15 C16 1.5(4) . . . . ?
C19 C14 C15 C16 177.7(3) . . . . ?
Rh1 C14 C15 C16 -61.3(2) . . . . ?
C13 C14 C15 C20 -178.6(3) . . . . ?
C19 C14 C15 C20 -2.3(5) . . . . ?
Rh1 C14 C15 C20 118.6(3) . . . . ?
C13 C14 C15 Rh1 62.8(2) . . . . ?
C19 C14 C15 Rh1 -120.9(3) . . . . ?
C14 C15 C16 C17 -2.2(3) . . . . ?
C20 C15 C16 C17 177.9(3) . . . . ?
Rh1 C15 C16 C17 -64.18(18) . . . . ?
C14 C15 C16 C21 -179.3(3) . . . . ?
C20 C15 C16 C21 0.7(5) . . . . ?
Rh1 C15 C16 C21 118.7(3) . . . . ?
C14 C15 C16 Rh1 62.0(2) . . . . ?
C20 C15 C16 Rh1 -117.9(3) . . . . ?
C14 C13 C17 C16 -1.5(4) . . . . ?
C18 C13 C17 C16 179.3(3) . . . . ?
Rh1 C13 C17 C16 59.4(2) . . . . ?
C14 C13 C17 C22 177.2(3) . . . . ?
C18 C13 C17 C22 -2.1(5) . . . . ?
Rh1 C13 C17 C22 -121.9(3) . . . . ?
C14 C13 C17 Rh1 -60.9(2) . . . . ?
C18 C13 C17 Rh1 119.9(3) . . . . ?
C15 C16 C17 C13 2.2(3) . . . . ?
C21 C16 C17 C13 179.1(3) . . . . ?
Rh1 C16 C17 C13 -61.2(2) . . . . ?
C15 C16 C17 C22 -176.6(3) . . . . ?
C21 C16 C17 C22 0.2(5) . . . . ?
Rh1 C16 C17 C22 119.9(3) . . . . ?
C15 C16 C17 Rh1 63.48(18) . . . . ?
C21 C16 C17 Rh1 -119.7(3) . . . . ?
C28 C23 C24 C25 -2.6(5) . . . . ?
P1 C23 C24 C25 -173.0(2) . . . . ?
C23 C24 C25 C26 1.6(5) . . . . ?
C24 C25 C26 C27 0.1(5) . . . . ?
C25 C26 C27 C28 -0.6(5) . . . . ?
C24 C23 C28 C27 2.1(4) . . . . ?
P1 C23 C28 C27 173.0(2) . . . . ?
C26 C27 C28 C23 -0.5(5) . . . . ?
C34 C29 C30 C31 1.5(5) . . . . ?
P1 C29 C30 C31 178.8(3) . . . . ?
C29 C30 C31 C32 0.4(5) . . . . ?
C30 C31 C32 C33 -1.2(5) . . . . ?
C31 C32 C33 C34 0.1(5) . . . . ?
C30 C29 C34 C33 -2.6(4) . . . . ?
P1 C29 C34 C33 -179.9(2) . . . . ?
C32 C33 C34 C29 1.9(5) . . . . ?
C40 C35 C36 C37 2.1(5) . . . . ?
P1 C35 C36 C37 -177.9(3) . . . . ?
C35 C36 C37 C38 -0.1(6) . . . . ?
C36 C37 C38 C39 -3.0(5) . . . . ?
C37 C38 C39 C40 3.9(5) . . . . ?
C36 C35 C40 C39 -1.1(5) . . . . ?
P1 C35 C40 C39 178.9(2) . . . . ?
C38 C39 C40 C35 -1.9(5) . . . . ?
B12 B8 Cl2 Rh2 32.1(2) . . . . ?
B9 B8 Cl2 Rh2 -36.0(2) . . . . ?
B5 B8 Cl2 Rh2 -105.4(2) . . . . ?
B7 B8 Cl2 Rh2 100.7(2) . . . . ?
C28 C23 P1 C29 54.4(3) . . . . ?
C24 C23 P1 C29 -135.2(3) . . . . ?
C28 C23 P1 C35 161.3(2) . . . . ?
C24 C23 P1 C35 -28.2(3) . . . . ?
C28 C23 P1 Rh2 -70.2(2) . . . . ?
C24 C23 P1 Rh2 100.2(2) . . . . ?
C34 C29 P1 C23 -156.8(3) . . . . ?
C30 C29 P1 C23 26.0(3) . . . . ?
C34 C29 P1 C35 93.2(3) . . . . ?
C30 C29 P1 C35 -83.9(3) . . . . ?
C34 C29 P1 Rh2 -34.6(3) . . . . ?
C30 C29 P1 Rh2 148.3(2) . . . . ?
C40 C35 P1 C23 126.6(3) . . . . ?
C36 C35 P1 C23 -53.4(3) . . . . ?
C40 C35 P1 C29 -126.2(3) . . . . ?
C36 C35 P1 C29 53.8(3) . . . . ?
C40 C35 P1 Rh2 0.9(3) . . . . ?
C36 C35 P1 Rh2 -179.1(2) . . . . ?
C13 C14 Rh1 C16 -80.7(2) . . . . ?
C15 C14 Rh1 C16 39.41(19) . . . . ?
C19 C14 Rh1 C16 158.4(3) . . . . ?
C13 C14 Rh1 C15 -120.1(3) . . . . ?
C19 C14 Rh1 C15 119.0(4) . . . . ?
C15 C14 Rh1 C13 120.1(3) . . . . ?
C19 C14 Rh1 C13 -120.9(4) . . . . ?
C13 C14 Rh1 C17 -35.47(18) . . . . ?
C15 C14 Rh1 C17 84.6(2) . . . . ?
C19 C14 Rh1 C17 -156.4(3) . . . . ?
C13 C14 Rh1 S2 -174.15(14) . . . . ?
C15 C14 Rh1 S2 -54.0(2) . . . . ?
C19 C14 Rh1 S2 65.0(3) . . . . ?
C13 C14 Rh1 S1 85.33(19) . . . . ?
C15 C14 Rh1 S1 -154.56(17) . . . . ?
C19 C14 Rh1 S1 -35.6(3) . . . . ?
C13 C14 Rh1 Rh2 62.0(4) . . . . ?
C15 C14 Rh1 Rh2 -177.9(3) . . . . ?
C19 C14 Rh1 Rh2 -58.9(5) . . . . ?
C15 C16 Rh1 C14 -36.70(17) . . . . ?
C17 C16 Rh1 C14 75.42(19) . . . . ?
C21 C16 Rh1 C14 -155.6(3) . . . . ?
C17 C16 Rh1 C15 112.1(2) . . . . ?
C21 C16 Rh1 C15 -118.9(4) . . . . ?
C15 C16 Rh1 C13 -77.52(19) . . . . ?
C17 C16 Rh1 C13 34.60(17) . . . . ?
C21 C16 Rh1 C13 163.6(3) . . . . ?
C15 C16 Rh1 C17 -112.1(2) . . . . ?
C21 C16 Rh1 C17 129.0(4) . . . . ?
C15 C16 Rh1 S2 93.03(17) . . . . ?
C17 C16 Rh1 S2 -154.85(15) . . . . ?
C21 C16 Rh1 S2 -25.9(3) . . . . ?
C15 C16 Rh1 S1 -103.4(4) . . . . ?
C17 C16 Rh1 S1 8.7(4) . . . . ?
C21 C16 Rh1 S1 137.7(3) . . . . ?
C15 C16 Rh1 Rh2 154.04(14) . . . . ?
C17 C16 Rh1 Rh2 -93.85(17) . . . . ?
C21 C16 Rh1 Rh2 35.1(3) . . . . ?
C16 C15 Rh1 C14 116.8(3) . . . . ?
C20 C15 Rh1 C14 -122.2(4) . . . . ?
C14 C15 Rh1 C16 -116.8(3) . . . . ?
C20 C15 Rh1 C16 120.9(3) . . . . ?
C14 C15 Rh1 C13 -35.47(19) . . . . ?
C16 C15 Rh1 C13 81.4(2) . . . . ?
C20 C15 Rh1 C13 -157.7(3) . . . . ?
C14 C15 Rh1 C17 -75.5(2) . . . . ?
C16 C15 Rh1 C17 41.37(18) . . . . ?
C20 C15 Rh1 C17 162.3(3) . . . . ?
C14 C15 Rh1 S2 142.19(17) . . . . ?
C16 C15 Rh1 S2 -100.97(17) . . . . ?
C20 C15 Rh1 S2 19.9(3) . . . . ?
C14 C15 Rh1 S1 40.4(3) . . . . ?
C16 C15 Rh1 S1 157.29(14) . . . . ?
C20 C15 Rh1 S1 -81.8(3) . . . . ?
C14 C15 Rh1 Rh2 178.69(17) . . . . ?
C16 C15 Rh1 Rh2 -64.5(3) . . . . ?
C20 C15 Rh1 Rh2 56.5(4) . . . . ?
C17 C13 Rh1 C14 -119.3(3) . . . . ?
C18 C13 Rh1 C14 123.7(4) . . . . ?
C17 C13 Rh1 C16 -38.74(19) . . . . ?
C14 C13 Rh1 C16 80.6(2) . . . . ?
C18 C13 Rh1 C16 -155.7(3) . . . . ?
C17 C13 Rh1 C15 -83.4(2) . . . . ?
C14 C13 Rh1 C15 35.92(19) . . . . ?
C18 C13 Rh1 C15 159.7(3) . . . . ?
C14 C13 Rh1 C17 119.3(3) . . . . ?
C18 C13 Rh1 C17 -116.9(4) . . . . ?
C17 C13 Rh1 S2 -95.7(5) . . . . ?
C14 C13 Rh1 S2 23.6(6) . . . . ?
C18 C13 Rh1 S2 147.4(3) . . . . ?
C17 C13 Rh1 S1 134.90(17) . . . . ?
C14 C13 Rh1 S1 -105.75(18) . . . . ?
C18 C13 Rh1 S1 18.0(3) . . . . ?
C17 C13 Rh1 Rh2 78.6(2) . . . . ?
C14 C13 Rh1 Rh2 -162.09(15) . . . . ?
C18 C13 Rh1 Rh2 -38.3(3) . . . . ?
C13 C17 Rh1 C14 36.29(19) . . . . ?
C16 C17 Rh1 C14 -82.71(19) . . . . ?
C22 C17 Rh1 C14 162.4(3) . . . . ?
C13 C17 Rh1 C16 119.0(3) . . . . ?
C22 C17 Rh1 C16 -114.9(4) . . . . ?
C13 C17 Rh1 C15 77.9(2) . . . . ?
C16 C17 Rh1 C15 -41.06(17) . . . . ?
C22 C17 Rh1 C15 -155.9(3) . . . . ?
C16 C17 Rh1 C13 -119.0(3) . . . . ?
C22 C17 Rh1 C13 126.1(4) . . . . ?
C13 C17 Rh1 S2 161.84(15) . . . . ?
C16 C17 Rh1 S2 42.8(2) . . . . ?
C22 C17 Rh1 S2 -72.0(3) . . . . ?
C13 C17 Rh1 S1 -58.3(2) . . . . ?
C16 C17 Rh1 S1 -177.35(13) . . . . ?
C22 C17 Rh1 S1 67.8(3) . . . . ?
C13 C17 Rh1 Rh2 -127.46(17) . . . . ?
C16 C17 Rh1 Rh2 113.54(16) . . . . ?
C22 C17 Rh1 Rh2 -1.3(3) . . . . ?
C23 P1 Rh2 S2 0.02(10) . . . . ?
C29 P1 Rh2 S2 -116.99(11) . . . . ?
C35 P1 Rh2 S2 122.74(12) . . . . ?
C23 P1 Rh2 Cl1 -174.03(10) . . . . ?
C29 P1 Rh2 Cl1 68.96(11) . . . . ?
C35 P1 Rh2 Cl1 -51.31(12) . . . . ?
C23 P1 Rh2 S1 -57.9(3) . . . . ?
C29 P1 Rh2 S1 -174.9(2) . . . . ?
C35 P1 Rh2 S1 64.9(3) . . . . ?
C23 P1 Rh2 Cl2 91.83(10) . . . . ?
C29 P1 Rh2 Cl2 -25.18(12) . . . . ?
C35 P1 Rh2 Cl2 -145.45(12) . . . . ?
C23 P1 Rh2 Rh1 -52.03(10) . . . . ?
C29 P1 Rh2 Rh1 -169.04(11) . . . . ?
C35 P1 Rh2 Rh1 70.69(12) . . . . ?
B8 Cl2 Rh2 P1 -133.74(11) . . . . ?
B8 Cl2 Rh2 S2 -39.04(11) . . . . ?
B8 Cl2 Rh2 Cl1 132.91(11) . . . . ?
B8 Cl2 Rh2 S1 42.69(11) . . . . ?
B8 Cl2 Rh2 Rh1 3.47(11) . . . . ?
C14 Rh1 Rh2 P1 -152.8(4) . . . . ?
C16 Rh1 Rh2 P1 -15.79(12) . . . . ?
C15 Rh1 Rh2 P1 30.4(2) . . . . ?
C13 Rh1 Rh2 P1 -104.51(12) . . . . ?
C17 Rh1 Rh2 P1 -63.37(10) . . . . ?
S2 Rh1 Rh2 P1 74.22(3) . . . . ?
S1 Rh1 Rh2 P1 -179.12(3) . . . . ?
C14 Rh1 Rh2 S2 133.0(4) . . . . ?
C16 Rh1 Rh2 S2 -90.00(12) . . . . ?
C15 Rh1 Rh2 S2 -43.8(2) . . . . ?
C13 Rh1 Rh2 S2 -178.72(12) . . . . ?
C17 Rh1 Rh2 S2 -137.58(10) . . . . ?
S1 Rh1 Rh2 S2 106.67(3) . . . . ?
C14 Rh1 Rh2 Cl1 -43.6(4) . . . . ?
C16 Rh1 Rh2 Cl1 93.43(12) . . . . ?
C15 Rh1 Rh2 Cl1 139.7(2) . . . . ?
C13 Rh1 Rh2 Cl1 4.71(12) . . . . ?
C17 Rh1 Rh2 Cl1 45.85(10) . . . . ?
S2 Rh1 Rh2 Cl1 -176.57(3) . . . . ?
S1 Rh1 Rh2 Cl1 -69.90(3) . . . . ?
C14 Rh1 Rh2 S1 26.3(4) . . . . ?
C16 Rh1 Rh2 S1 163.33(12) . . . . ?
C15 Rh1 Rh2 S1 -150.4(2) . . . . ?
C13 Rh1 Rh2 S1 74.61(12) . . . . ?
C17 Rh1 Rh2 S1 115.75(10) . . . . ?
S2 Rh1 Rh2 S1 -106.67(3) . . . . ?
C14 Rh1 Rh2 Cl2 77.2(4) . . . . ?
C16 Rh1 Rh2 Cl2 -145.80(12) . . . . ?
C15 Rh1 Rh2 Cl2 -99.6(2) . . . . ?
C13 Rh1 Rh2 Cl2 125.48(12) . . . . ?
C17 Rh1 Rh2 Cl2 166.63(10) . . . . ?
S2 Rh1 Rh2 Cl2 -55.79(3) . . . . ?
S1 Rh1 Rh2 Cl2 50.87(3) . . . . ?
B4 B9 S1 Rh1 -107.5(3) . . . . ?
B10 B9 S1 Rh1 -35.0(2) . . . . ?
B5 B9 S1 Rh1 168.8(2) . . . . ?
B12 B9 S1 Rh1 32.2(2) . . . . ?
B8 B9 S1 Rh1 96.9(2) . . . . ?
B4 B9 S1 Rh2 -177.2(3) . . . . ?
B10 B9 S1 Rh2 -104.8(2) . . . . ?
B5 B9 S1 Rh2 99.1(3) . . . . ?
B12 B9 S1 Rh2 -37.5(2) . . . . ?
B8 B9 S1 Rh2 27.2(2) . . . . ?
C14 Rh1 S1 B9 93.63(14) . . . . ?
C16 Rh1 S1 B9 154.8(4) . . . . ?
C15 Rh1 S1 B9 69.13(17) . . . . ?
C13 Rh1 S1 B9 131.09(13) . . . . ?
C17 Rh1 S1 B9 161.71(14) . . . . ?
S2 Rh1 S1 B9 -40.69(11) . . . . ?
Rh2 Rh1 S1 B9 -93.01(11) . . . . ?
C14 Rh1 S1 Rh2 -173.36(9) . . . . ?
C16 Rh1 S1 Rh2 -112.2(3) . . . . ?
C15 Rh1 S1 Rh2 162.15(13) . . . . ?
C13 Rh1 S1 Rh2 -135.89(9) . . . . ?
C17 Rh1 S1 Rh2 -105.28(10) . . . . ?
S2 Rh1 S1 Rh2 52.33(2) . . . . ?
P1 Rh2 S1 B9 110.2(2) . . . . ?
S2 Rh2 S1 B9 51.65(10) . . . . ?
Cl1 Rh2 S1 B9 -133.48(10) . . . . ?
Cl2 Rh2 S1 B9 -39.75(10) . . . . ?
Rh1 Rh2 S1 B9 103.91(10) . . . . ?
P1 Rh2 S1 Rh1 6.3(2) . . . . ?
S2 Rh2 S1 Rh1 -52.26(2) . . . . ?
Cl1 Rh2 S1 Rh1 122.61(2) . . . . ?
Cl2 Rh2 S1 Rh1 -143.65(2) . . . . ?
B7 B12 S2 Rh1 -171.4(2) . . . . ?
B11 B12 S2 Rh1 106.9(3) . . . . ?
B8 B12 S2 Rh1 -96.7(2) . . . . ?
B9 B12 S2 Rh1 -30.0(2) . . . . ?
B10 B12 S2 Rh1 34.8(2) . . . . ?
B7 B12 S2 Rh2 -99.5(3) . . . . ?
B11 B12 S2 Rh2 178.7(3) . . . . ?
B8 B12 S2 Rh2 -24.9(2) . . . . ?
B9 B12 S2 Rh2 41.9(2) . . . . ?
B10 B12 S2 Rh2 106.6(2) . . . . ?
C14 Rh1 S2 B12 -71.58(16) . . . . ?
C16 Rh1 S2 B12 -144.05(14) . . . . ?
C15 Rh1 S2 B12 -102.19(14) . . . . ?
C13 Rh1 S2 B12 -90.8(5) . . . . ?
C17 Rh1 S2 B12 -171.75(17) . . . . ?
S1 Rh1 S2 B12 39.98(11) . . . . ?
Rh2 Rh1 S2 B12 94.08(11) . . . . ?
C14 Rh1 S2 Rh2 -165.66(12) . . . . ?
C16 Rh1 S2 Rh2 121.87(9) . . . . ?
C15 Rh1 S2 Rh2 163.72(9) . . . . ?
C13 Rh1 S2 Rh2 175.1(5) . . . . ?
C17 Rh1 S2 Rh2 94.17(14) . . . . ?
S1 Rh1 S2 Rh2 -54.10(2) . . . . ?
P1 Rh2 S2 B12 133.45(11) . . . . ?
Cl1 Rh2 S2 B12 -85.61(19) . . . . ?
S1 Rh2 S2 B12 -52.62(11) . . . . ?
Cl2 Rh2 S2 B12 36.12(11) . . . . ?
Rh1 Rh2 S2 B12 -104.70(11) . . . . ?
P1 Rh2 S2 Rh1 -121.86(2) . . . . ?
Cl1 Rh2 S2 Rh1 19.09(17) . . . . ?
S1 Rh2 S2 Rh1 52.08(2) . . . . ?
Cl2 Rh2 S2 Rh1 140.81(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.359
_refine_diff_density_min         -0.489
_refine_diff_density_rms         0.092
_database_code_depnum_ccdc_archive 'CCDC 996715'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_20121018C

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C31 H41 B9 F0 N2 O P Rh2 S2'
_chemical_formula_weight         855.86

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'
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'
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'
N N 0.0061 0.0033 '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)/n

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                   10.6217(15)
_cell_length_b                   22.947(3)
_cell_length_c                   15.445(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 101.289(2)
_cell_angle_gamma                90.00
_cell_volume                     3691.6(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.540
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1724
_exptl_absorpt_coefficient_mu    1.080
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.8635
_exptl_absorpt_correction_T_max  0.8813
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            26294
_diffrn_reflns_av_R_equivalents  0.1051
_diffrn_reflns_av_sigmaI/netI    0.0898
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.61
_diffrn_reflns_theta_max         26.00
_reflns_number_total             7222
_reflns_number_gt                5469
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.1191P)²+0.0000P] 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         7222
_refine_ls_number_parameters     439
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0838
_refine_ls_R_factor_gt           0.0711
_refine_ls_wR_factor_ref         0.1842
_refine_ls_wR_factor_gt          0.1768
_refine_ls_goodness_of_fit_ref   0.967
_refine_ls_restrained_S_all      0.967
_refine_ls_shift/su_max          0.088
_refine_ls_shift/su_mean         0.002

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
B3 B 0.6822(9) 0.2795(4) 1.0030(5) 0.063(2) Uani 1 1 d . . .
H3 H 0.6988 0.3072 1.0623 0.076 Uiso 1 1 calc R . .
B4 B 0.6987(8) 0.2045(4) 1.0095(5) 0.059(2) Uani 1 1 d . . .
H4 H 0.7311 0.1827 1.0735 0.071 Uiso 1 1 calc R . .
B5 B 0.5736(8) 0.1742(4) 0.9232(5) 0.0540(19) Uani 1 1 d . . .
H5 H 0.4949 0.1425 0.9179 0.065 Uiso 1 1 calc R . .
B7 B 0.6045(8) 0.2756(4) 0.8164(5) 0.058(2) Uani 1 1 d . . .
H7 H 0.5410 0.2940 0.7579 0.070 Uiso 1 1 calc R . .
B8 B 0.6147(7) 0.1956(4) 0.8155(5) 0.0477(17) Uani 1 1 d . . .
H8 H 0.5110 0.1986 0.8370 0.057 Uiso 1 1 d R . .
B9 B 0.7370(7) 0.1787(3) 0.9098(4) 0.0401(15) Uani 1 1 d . . .
B10 B 0.7216(9) 0.3033(4) 0.9035(5) 0.061(2) Uani 1 1 d . . .
H10 H 0.7678 0.3458 0.8992 0.073 Uiso 1 1 calc R . .
B11 B 0.8042(8) 0.2440(4) 0.9617(5) 0.0534(19) Uani 1 1 d . . .
H11 H 0.9061 0.2470 0.9936 0.064 Uiso 1 1 calc R . .
B12 B 0.7527(7) 0.2417(3) 0.8448(4) 0.0434(16) Uani 1 1 d . . .
C1 C 0.5539(8) 0.2358(3) 0.9704(5) 0.067(2) Uani 1 1 d . . .
H1 H 0.4560 0.2338 0.9838 0.081 Uiso 1 1 calc R . .
C2 C 0.5674(8) 0.2895(3) 0.9108(5) 0.069(2) Uani 1 1 d . . .
H2 H 0.4737 0.3115 0.8948 0.082 Uiso 1 1 calc R . .
C13 C 0.5176(8) 0.1739(4) 0.6632(5) 0.073(2) Uani 1 1 d . . .
H13A H 0.4323 0.1743 0.6752 0.109 Uiso 1 1 calc R . .
H13B H 0.5222 0.1461 0.6176 0.109 Uiso 1 1 calc R . .
H13C H 0.5386 0.2119 0.6443 0.109 Uiso 1 1 calc R . .
C14 C 1.1844(6) 0.2252(3) 0.9161(4) 0.0534(17) Uani 1 1 d . . .
C15 C 1.1811(6) 0.1752(3) 0.9697(4) 0.0544(17) Uani 1 1 d . . .
C16 C 1.2001(6) 0.1246(3) 0.9214(4) 0.0505(16) Uani 1 1 d . . .
C17 C 1.2149(6) 0.1437(3) 0.8353(4) 0.0523(16) Uani 1 1 d . . .
C18 C 1.2054(6) 0.2057(3) 0.8314(4) 0.0530(16) Uani 1 1 d . . .
C19 C 1.1756(9) 0.2867(3) 0.9427(6) 0.078(2) Uani 1 1 d . . .
H19A H 1.1626 0.2884 1.0024 0.117 Uiso 1 1 calc R . .
H19B H 1.1048 0.3051 0.9042 0.117 Uiso 1 1 calc R . .
H19C H 1.2538 0.3066 0.9386 0.117 Uiso 1 1 calc R . .
C20 C 1.1689(9) 0.1762(4) 1.0654(4) 0.073(2) Uani 1 1 d . . .
H20A H 1.1524 0.1375 1.0839 0.110 Uiso 1 1 calc R . .
H20B H 1.0992 0.2013 1.0722 0.110 Uiso 1 1 calc R . .
H20C H 1.2472 0.1905 1.1009 0.110 Uiso 1 1 calc R . .
C21 C 1.2119(8) 0.0633(3) 0.9538(5) 0.070(2) Uani 1 1 d . . .
H21A H 1.2985 0.0562 0.9840 0.105 Uiso 1 1 calc R . .
H21B H 1.1907 0.0372 0.9046 0.105 Uiso 1 1 calc R . .
H21C H 1.1543 0.0571 0.9936 0.105 Uiso 1 1 calc R . .
C22 C 1.2425(8) 0.1056(4) 0.7628(5) 0.072(2) Uani 1 1 d . . .
H22A H 1.2141 0.1246 0.7070 0.109 Uiso 1 1 calc R . .
H22B H 1.1980 0.0692 0.7634 0.109 Uiso 1 1 calc R . .
H22C H 1.3332 0.0984 0.7715 0.109 Uiso 1 1 calc R . .
C23 C 1.2174(8) 0.2449(4) 0.7575(5) 0.074(2) Uani 1 1 d . . .
H23A H 1.1905 0.2248 0.7026 0.111 Uiso 1 1 calc R . .
H23B H 1.3053 0.2569 0.7632 0.111 Uiso 1 1 calc R . .
H23C H 1.1643 0.2786 0.7589 0.111 Uiso 1 1 calc R . .
C24 C 0.9446(6) -0.0119(3) 0.7377(4) 0.0482(15) Uani 1 1 d . . .
C25 C 1.0303(7) -0.0199(3) 0.6811(6) 0.069(2) Uani 1 1 d . . .
H25 H 1.0176 -0.0009 0.6269 0.083 Uiso 1 1 calc R . .
C26 C 1.1332(9) -0.0561(4) 0.7059(8) 0.093(3) Uani 1 1 d . . .
H26 H 1.1896 -0.0620 0.6676 0.111 Uiso 1 1 calc R . .
C27 C 1.1553(8) -0.0839(4) 0.7861(9) 0.100(4) Uani 1 1 d . . .
H27 H 1.2241 -0.1094 0.8010 0.119 Uiso 1 1 calc R . .
C28 C 1.0760(9) -0.0739(4) 0.8433(6) 0.081(3) Uani 1 1 d . . .
H28 H 1.0930 -0.0910 0.8990 0.097 Uiso 1 1 calc R . .
C29 C 0.9706(7) -0.0386(3) 0.8194(5) 0.0621(18) Uani 1 1 d . . .
H29 H 0.9159 -0.0325 0.8588 0.075 Uiso 1 1 calc R . .
C30 C 0.7411(6) 0.0173(3) 0.5894(4) 0.0442(14) Uani 1 1 d . . .
C31 C 0.7660(8) -0.0342(3) 0.5490(5) 0.064(2) Uani 1 1 d . . .
H31 H 0.8193 -0.0619 0.5814 0.077 Uiso 1 1 calc R . .
C32 C 0.7135(10) -0.0451(4) 0.4621(5) 0.081(3) Uani 1 1 d . . .
H32 H 0.7325 -0.0796 0.4358 0.097 Uiso 1 1 calc R . .
C33 C 0.6325(10) -0.0048(4) 0.4136(5) 0.083(3) Uani 1 1 d . . .
H33 H 0.5954 -0.0125 0.3550 0.099 Uiso 1 1 calc R . .
C34 C 0.6067(8) 0.0467(4) 0.4516(4) 0.071(2) Uani 1 1 d . . .
H34 H 0.5518 0.0740 0.4194 0.085 Uiso 1 1 calc R . .
C35 C 0.6641(7) 0.0575(3) 0.5394(4) 0.0541(17) Uani 1 1 d . . .
H35 H 0.6496 0.0931 0.5647 0.065 Uiso 1 1 calc R . .
C36 C 0.6834(5) -0.0065(3) 0.7584(3) 0.0410(13) Uani 1 1 d . . .
C37 C 0.6108(6) 0.0234(3) 0.8098(4) 0.0483(15) Uani 1 1 d . . .
H37 H 0.6201 0.0635 0.8181 0.058 Uiso 1 1 calc R . .
C38 C 0.5237(7) -0.0079(4) 0.8485(5) 0.066(2) Uani 1 1 d . . .
H38 H 0.4744 0.0114 0.8831 0.080 Uiso 1 1 calc R . .
C39 C 0.5101(7) -0.0668(4) 0.8362(5) 0.072(2) Uani 1 1 d . . .
H39 H 0.4526 -0.0873 0.8630 0.086 Uiso 1 1 calc R . .
C40 C 0.5808(7) -0.0954(3) 0.7849(5) 0.0641(19) Uani 1 1 d . . .
H40 H 0.5692 -0.1352 0.7755 0.077 Uiso 1 1 calc R . .
C41 C 0.6691(7) -0.0660(3) 0.7467(4) 0.0530(16) Uani 1 1 d . . .
H41 H 0.7189 -0.0862 0.7133 0.064 Uiso 1 1 calc R . .
C42 C 0.8926(6) 0.1383(3) 0.6342(4) 0.0447(14) Uani 1 1 d . . .
O2 O 0.9439(6) 0.1413(3) 0.5778(3) 0.0750(16) Uani 1 1 d . . .
O1 O 0.6061(4) 0.1583(2) 0.7410(3) 0.0508(11) Uani 1 1 d . . .
P1 P 0.80119(14) 0.03307(7) 0.70665(9) 0.0364(3) Uani 1 1 d . . .
Rh1 Rh 1.02798(4) 0.16999(2) 0.85750(3) 0.03782(17) Uani 1 1 d . . .
Rh2 Rh 0.82890(4) 0.130341(19) 0.73522(3) 0.03412(17) Uani 1 1 d . . .
S1 S 0.85264(14) 0.11908(6) 0.89383(9) 0.0380(3) Uani 1 1 d . . .
S2 S 0.87524(15) 0.23108(6) 0.77313(9) 0.0421(4) 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
B3 C1 1.688(13) . ?
B3 C2 1.699(12) . ?
B3 B4 1.733(13) . ?
B3 B11 1.753(11) . ?
B3 B10 1.757(12) . ?
B3 H3 1.1000 . ?
B4 C1 1.699(11) . ?
B4 B11 1.718(12) . ?
B4 B9 1.770(9) . ?
B4 B5 1.825(12) . ?
B4 H4 1.1000 . ?
B5 C1 1.623(11) . ?
B5 B9 1.790(10) . ?
B5 B8 1.866(10) . ?
B5 H5 1.1000 . ?
B5 H8 1.4764 . ?
B7 C2 1.616(10) . ?
B7 B12 1.734(10) . ?
B7 B10 1.762(13) . ?
B7 B8 1.839(11) . ?
B7 H7 1.1000 . ?
B8 O1 1.423(8) . ?
B8 B9 1.795(10) . ?
B8 B12 1.793(11) . ?
B8 H8 1.2128 . ?
B9 B11 1.783(11) . ?
B9 B12 1.788(10) . ?
B9 S1 1.886(7) . ?
B10 C2 1.694(13) . ?
B10 B12 1.744(10) . ?
B10 B11 1.765(12) . ?
B10 H10 1.1000 . ?
B11 B12 1.783(10) . ?
B11 H11 1.1000 . ?
B12 S2 1.882(7) . ?
C1 C2 1.560(11) . ?
C1 H1 1.1000 . ?
C2 H2 1.1000 . ?
C13 O1 1.419(8) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 C15 1.419(10) . ?
C14 C18 1.441(9) . ?
C14 C19 1.478(10) . ?
C14 Rh1 2.143(6) . ?
C15 C16 1.416(9) . ?
C15 C20 1.508(9) . ?
C15 Rh1 2.136(6) . ?
C16 C17 1.437(9) . ?
C16 C21 1.490(10) . ?
C16 Rh1 2.167(6) . ?
C17 C18 1.427(10) . ?
C17 C22 1.493(9) . ?
C17 Rh1 2.166(6) . ?
C18 C23 1.478(10) . ?
C18 Rh1 2.164(6) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 C29 1.382(9) . ?
C24 C25 1.393(9) . ?
C24 P1 1.824(6) . ?
C25 C26 1.366(12) . ?
C25 H25 0.9300 . ?
C26 C27 1.372(14) . ?
C26 H26 0.9300 . ?
C27 C28 1.355(14) . ?
C27 H27 0.9300 . ?
C28 C29 1.373(11) . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
C30 C35 1.366(9) . ?
C30 C31 1.386(9) . ?
C30 P1 1.835(6) . ?
C31 C32 1.372(11) . ?
C31 H31 0.9300 . ?
C32 C33 1.380(13) . ?
C32 H32 0.9300 . ?
C33 C34 1.371(12) . ?
C33 H33 0.9300 . ?
C34 C35 1.397(9) . ?
C34 H34 0.9300 . ?
C35 H35 0.9300 . ?
C36 C41 1.383(9) . ?
C36 C37 1.391(8) . ?
C36 P1 1.849(6) . ?
C37 C38 1.396(9) . ?
C37 H37 0.9300 . ?
C38 C39 1.368(12) . ?
C38 H38 0.9300 . ?
C39 C40 1.362(12) . ?
C39 H39 0.9300 . ?
C40 C41 1.378(10) . ?
C40 H40 0.9300 . ?
C41 H41 0.9300 . ?
C42 O2 1.117(7) . ?
C42 Rh2 1.827(6) . ?
O1 Rh2 2.470(4) . ?
P1 Rh2 2.2831(16) . ?
Rh1 S2 2.3383(16) . ?
Rh1 S1 2.3574(15) . ?
Rh1 Rh2 2.7023(7) . ?
Rh2 S2 2.4116(16) . ?
Rh2 S1 2.4269(14) . ?

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
C1 B3 C2 54.9(5) . . ?
C1 B3 B4 59.5(5) . . ?
C2 B3 B4 103.3(6) . . ?
C1 B3 B11 103.1(6) . . ?
C2 B3 B11 102.6(5) . . ?
B4 B3 B11 59.0(5) . . ?
C1 B3 B10 103.9(6) . . ?
C2 B3 B10 58.7(5) . . ?
B4 B3 B10 108.7(6) . . ?
B11 B3 B10 60.4(5) . . ?
C1 B3 H3 125.5 . . ?
C2 B3 H3 126.3 . . ?
B4 B3 H3 121.9 . . ?
B11 B3 H3 124.2 . . ?
B10 B3 H3 121.5 . . ?
C1 B4 B11 104.1(6) . . ?
C1 B4 B3 58.9(5) . . ?
B11 B4 B3 61.1(5) . . ?
C1 B4 B9 100.3(5) . . ?
B11 B4 B9 61.4(4) . . ?
B3 B4 B9 108.6(6) . . ?
C1 B4 B5 54.7(4) . . ?
B11 B4 B5 109.2(5) . . ?
B3 B4 B5 106.5(6) . . ?
B9 B4 B5 59.7(4) . . ?
C1 B4 H4 127.9 . . ?
B11 B4 H4 120.7 . . ?
B3 B4 H4 120.9 . . ?
B9 B4 H4 123.1 . . ?
B5 B4 H4 122.6 . . ?
C1 B5 B9 102.5(6) . . ?
C1 B5 B4 58.7(5) . . ?
B9 B5 B4 58.6(4) . . ?
C1 B5 B8 104.2(6) . . ?
B9 B5 B8 58.8(4) . . ?
B4 B5 B8 106.7(5) . . ?
C1 B5 H5 116.5 . . ?
B9 B5 H5 140.3 . . ?
B4 B5 H5 137.7 . . ?
B8 B5 H5 114.6 . . ?
C1 B5 H8 90.0 . . ?
B9 B5 H8 98.6 . . ?
B4 B5 H8 130.5 . . ?
B8 B5 H8 40.5 . . ?
H5 B5 H8 89.0 . . ?
C2 B7 B12 103.3(6) . . ?
C2 B7 B10 60.0(5) . . ?
B12 B7 B10 59.9(5) . . ?
C2 B7 B8 103.2(6) . . ?
B12 B7 B8 60.2(4) . . ?
B10 B7 B8 109.4(6) . . ?
C2 B7 H7 116.6 . . ?
B12 B7 H7 139.5 . . ?
B10 B7 H7 135.9 . . ?
B8 B7 H7 113.7 . . ?
O1 B8 B9 116.6(5) . . ?
O1 B8 B12 118.6(5) . . ?
B9 B8 B12 59.8(4) . . ?
O1 B8 B7 127.8(6) . . ?
B9 B8 B7 104.1(5) . . ?
B12 B8 B7 57.0(4) . . ?
O1 B8 B5 125.0(6) . . ?
B9 B8 B5 58.5(4) . . ?
B12 B8 B5 104.6(5) . . ?
B7 B8 B5 103.4(5) . . ?
O1 B8 H8 109.7 . . ?
B9 B8 H8 110.0 . . ?
B12 B8 H8 129.7 . . ?
B7 B8 H8 83.3 . . ?
B5 B8 H8 52.2 . . ?
B4 B9 B11 57.8(4) . . ?
B4 B9 B12 106.3(5) . . ?
B11 B9 B12 59.9(4) . . ?
B4 B9 B5 61.7(4) . . ?
B11 B9 B5 107.9(5) . . ?
B12 B9 B5 108.1(5) . . ?
B4 B9 B8 112.4(5) . . ?
B11 B9 B8 110.2(5) . . ?
B12 B9 B8 60.1(4) . . ?
B5 B9 B8 62.7(4) . . ?
B4 B9 S1 128.5(4) . . ?
B11 B9 S1 117.1(5) . . ?
B12 B9 S1 112.2(4) . . ?
B5 B9 S1 130.1(5) . . ?
B8 B9 S1 115.9(4) . . ?
C2 B10 B12 99.7(6) . . ?
C2 B10 B7 55.7(5) . . ?
B12 B10 B7 59.3(4) . . ?
C2 B10 B3 59.0(5) . . ?
B12 B10 B3 107.8(6) . . ?
B7 B10 B3 107.7(7) . . ?
C2 B10 B11 102.3(6) . . ?
B12 B10 B11 61.1(4) . . ?
B7 B10 B11 108.5(6) . . ?
B3 B10 B11 59.7(5) . . ?
C2 B10 H10 128.2 . . ?
B12 B10 H10 123.6 . . ?
B7 B10 H10 122.0 . . ?
B3 B10 H10 120.9 . . ?
B11 B10 H10 122.1 . . ?
B4 B11 B3 59.9(5) . . ?
B4 B11 B10 109.0(6) . . ?
B3 B11 B10 59.9(5) . . ?
B4 B11 B12 108.9(6) . . ?
B3 B11 B12 106.3(6) . . ?
B10 B11 B12 58.9(4) . . ?
B4 B11 B9 60.7(4) . . ?
B3 B11 B9 107.2(6) . . ?
B10 B11 B9 107.7(6) . . ?
B12 B11 B9 60.2(4) . . ?
B4 B11 H11 120.6 . . ?
B3 B11 H11 122.8 . . ?
B10 B11 H11 121.8 . . ?
B12 B11 H11 122.3 . . ?
B9 B11 H11 121.7 . . ?
B7 B12 B10 60.9(5) . . ?
B7 B12 B11 109.0(5) . . ?
B10 B12 B11 60.1(4) . . ?
B7 B12 B9 109.0(5) . . ?
B10 B12 B9 108.3(5) . . ?
B11 B12 B9 59.9(4) . . ?
B7 B12 B8 62.8(5) . . ?
B10 B12 B8 112.3(5) . . ?
B11 B12 B8 110.3(5) . . ?
B9 B12 B8 60.2(4) . . ?
B7 B12 S2 127.4(5) . . ?
B10 B12 S2 129.4(5) . . ?
B11 B12 S2 119.3(5) . . ?
B9 B12 S2 112.1(4) . . ?
B8 B12 S2 113.6(4) . . ?
C2 C1 B5 112.8(5) . . ?
C2 C1 B3 62.9(5) . . ?
B5 C1 B3 118.9(6) . . ?
C2 C1 B4 111.3(6) . . ?
B5 C1 B4 66.6(5) . . ?
B3 C1 B4 61.6(5) . . ?
C2 C1 H1 110.1 . . ?
B5 C1 H1 104.9 . . ?
B3 C1 H1 135.0 . . ?
B4 C1 H1 137.6 . . ?
C1 C2 B7 116.4(6) . . ?
C1 C2 B10 112.9(6) . . ?
B7 C2 B10 64.3(5) . . ?
C1 C2 B3 62.2(5) . . ?
B7 C2 B3 117.9(6) . . ?
B10 C2 B3 62.4(5) . . ?
C1 C2 H2 108.2 . . ?
B7 C2 H2 104.9 . . ?
B10 C2 H2 138.0 . . ?
B3 C2 H2 136.0 . . ?
O1 C13 H13A 109.5 . . ?
O1 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
O1 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 C18 107.8(6) . . ?
C15 C14 C19 126.8(6) . . ?
C18 C14 C19 125.3(7) . . ?
C15 C14 Rh1 70.3(4) . . ?
C18 C14 Rh1 71.2(4) . . ?
C19 C14 Rh1 126.6(5) . . ?
C14 C15 C16 109.4(6) . . ?
C14 C15 C20 125.2(7) . . ?
C16 C15 C20 125.3(7) . . ?
C14 C15 Rh1 70.9(4) . . ?
C16 C15 Rh1 72.0(4) . . ?
C20 C15 Rh1 126.7(5) . . ?
C15 C16 C17 107.0(6) . . ?
C15 C16 C21 127.4(6) . . ?
C17 C16 C21 125.5(6) . . ?
C15 C16 Rh1 69.6(4) . . ?
C17 C16 Rh1 70.6(4) . . ?
C21 C16 Rh1 127.9(5) . . ?
C18 C17 C16 108.8(6) . . ?
C18 C17 C22 125.1(7) . . ?
C16 C17 C22 126.0(7) . . ?
C18 C17 Rh1 70.7(4) . . ?
C16 C17 Rh1 70.6(4) . . ?
C22 C17 Rh1 127.0(5) . . ?
C17 C18 C14 107.1(6) . . ?
C17 C18 C23 128.6(6) . . ?
C14 C18 C23 124.3(7) . . ?
C17 C18 Rh1 70.8(4) . . ?
C14 C18 Rh1 69.7(4) . . ?
C23 C18 Rh1 125.8(5) . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C18 C23 H23A 109.5 . . ?
C18 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C18 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C29 C24 C25 118.5(7) . . ?
C29 C24 P1 119.9(5) . . ?
C25 C24 P1 121.7(6) . . ?
C26 C25 C24 119.3(8) . . ?
C26 C25 H25 120.3 . . ?
C24 C25 H25 120.3 . . ?
C25 C26 C27 121.5(8) . . ?
C25 C26 H26 119.3 . . ?
C27 C26 H26 119.3 . . ?
C28 C27 C26 119.5(8) . . ?
C28 C27 H27 120.3 . . ?
C26 C27 H27 120.3 . . ?
C27 C28 C29 120.2(9) . . ?
C27 C28 H28 119.9 . . ?
C29 C28 H28 119.9 . . ?
C28 C29 C24 120.9(8) . . ?
C28 C29 H29 119.5 . . ?
C24 C29 H29 119.5 . . ?
C35 C30 C31 117.9(6) . . ?
C35 C30 P1 118.6(5) . . ?
C31 C30 P1 123.5(5) . . ?
C32 C31 C30 121.3(8) . . ?
C32 C31 H31 119.4 . . ?
C30 C31 H31 119.4 . . ?
C31 C32 C33 119.9(8) . . ?
C31 C32 H32 120.0 . . ?
C33 C32 H32 120.0 . . ?
C34 C33 C32 120.1(7) . . ?
C34 C33 H33 120.0 . . ?
C32 C33 H33 120.0 . . ?
C33 C34 C35 118.9(8) . . ?
C33 C34 H34 120.6 . . ?
C35 C34 H34 120.6 . . ?
C30 C35 C34 121.9(7) . . ?
C30 C35 H35 119.1 . . ?
C34 C35 H35 119.1 . . ?
C41 C36 C37 120.2(6) . . ?
C41 C36 P1 119.6(5) . . ?
C37 C36 P1 120.1(5) . . ?
C36 C37 C38 118.6(7) . . ?
C36 C37 H37 120.7 . . ?
C38 C37 H37 120.7 . . ?
C39 C38 C37 120.7(7) . . ?
C39 C38 H38 119.7 . . ?
C37 C38 H38 119.7 . . ?
C40 C39 C38 120.1(7) . . ?
C40 C39 H39 119.9 . . ?
C38 C39 H39 119.9 . . ?
C39 C40 C41 120.9(7) . . ?
C39 C40 H40 119.6 . . ?
C41 C40 H40 119.6 . . ?
C40 C41 C36 119.5(7) . . ?
C40 C41 H41 120.2 . . ?
C36 C41 H41 120.2 . . ?
O2 C42 Rh2 172.5(7) . . ?
C13 O1 B8 117.3(5) . . ?
C13 O1 Rh2 121.0(4) . . ?
B8 O1 Rh2 106.0(4) . . ?
C24 P1 C30 105.1(3) . . ?
C24 P1 C36 102.1(3) . . ?
C30 P1 C36 101.3(3) . . ?
C24 P1 Rh2 115.6(2) . . ?
C30 P1 Rh2 112.9(2) . . ?
C36 P1 Rh2 118.0(2) . . ?
C15 Rh1 C14 38.7(3) . . ?
C15 Rh1 C18 65.0(3) . . ?
C14 Rh1 C18 39.1(2) . . ?
C15 Rh1 C16 38.4(2) . . ?
C14 Rh1 C16 64.9(3) . . ?
C18 Rh1 C16 65.1(3) . . ?
C15 Rh1 C17 64.4(3) . . ?
C14 Rh1 C17 64.7(3) . . ?
C18 Rh1 C17 38.5(3) . . ?
C16 Rh1 C17 38.8(2) . . ?
C15 Rh1 S2 138.9(2) . . ?
C14 Rh1 S2 106.1(2) . . ?
C18 Rh1 S2 101.74(19) . . ?
C16 Rh1 S2 166.76(19) . . ?
C17 Rh1 S2 129.51(19) . . ?
C15 Rh1 S1 110.3(2) . . ?
C14 Rh1 S1 140.84(18) . . ?
C18 Rh1 S1 171.7(2) . . ?
C16 Rh1 S1 106.82(19) . . ?
C17 Rh1 S1 133.7(2) . . ?
S2 Rh1 S1 86.30(5) . . ?
C15 Rh1 Rh2 162.5(2) . . ?
C14 Rh1 Rh2 158.4(2) . . ?
C18 Rh1 Rh2 126.02(17) . . ?
C16 Rh1 Rh2 129.18(18) . . ?
C17 Rh1 Rh2 114.30(17) . . ?
S2 Rh1 Rh2 56.61(4) . . ?
S1 Rh1 Rh2 56.84(4) . . ?
C42 Rh2 P1 89.3(2) . . ?
C42 Rh2 S2 91.1(2) . . ?
P1 Rh2 S2 175.20(6) . . ?
C42 Rh2 S1 152.9(2) . . ?
P1 Rh2 S1 94.30(5) . . ?
S2 Rh2 S1 83.17(5) . . ?
C42 Rh2 O1 121.5(2) . . ?
P1 Rh2 O1 99.93(12) . . ?
S2 Rh2 O1 83.91(12) . . ?
S1 Rh2 O1 84.39(10) . . ?
C42 Rh2 Rh1 101.1(2) . . ?
P1 Rh2 Rh1 121.19(4) . . ?
S2 Rh2 Rh1 54.06(4) . . ?
S1 Rh2 Rh1 54.40(4) . . ?
O1 Rh2 Rh1 120.77(11) . . ?
B9 S1 Rh1 103.7(2) . . ?
B9 S1 Rh2 96.5(2) . . ?
Rh1 S1 Rh2 68.76(4) . . ?
B12 S2 Rh1 103.6(2) . . ?
B12 S2 Rh2 97.8(2) . . ?
Rh1 S2 Rh2 69.33(4) . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.895
_refine_diff_density_min         -1.060
_refine_diff_density_rms         0.200
_database_code_depnum_ccdc_archive 'CCDC 996716'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_20121122d

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H55 B9 P2 Rh2 S2'
_chemical_formula_weight         1061.09

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'
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   P2(1)/n

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                   10.4232(13)
_cell_length_b                   22.0424(19)
_cell_length_c                   25.4131(17)
_cell_angle_alpha                90.00
_cell_angle_beta                 91.218(3)
_cell_angle_gamma                90.00
_cell_volume                     5837.4(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    291(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.207
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2160
_exptl_absorpt_coefficient_mu    0.720
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.9059
_exptl_absorpt_correction_T_max  0.9186
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      291(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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            34752
_diffrn_reflns_av_R_equivalents  0.0242
_diffrn_reflns_av_sigmaI/netI    0.0656
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         1.22
_diffrn_reflns_theta_max         26.00
_reflns_number_total             11461
_reflns_number_gt                7284
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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. 
;

# 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 -0.010 0.000 0.000 704 50 ' '
2 -0.015 0.500 0.500 704 50 ' '


_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)+(0.0600P)²+1.8800P] 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         11461
_refine_ls_number_parameters     573
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0513
_refine_ls_wR_factor_ref         0.1367
_refine_ls_wR_factor_gt          0.1359
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_restrained_S_all      1.062
_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
B3 B 0.6442(8) 0.5758(4) 0.4001(3) 0.088(3) Uani 1 1 d . . .
H3 H 0.6468 0.5617 0.4416 0.106 Uiso 1 1 calc R . .
B4 B 0.5873(7) 0.6473(3) 0.3815(3) 0.073(2) Uani 1 1 d . . .
H4 H 0.5471 0.6787 0.4104 0.088 Uiso 1 1 calc R . .
B5 B 0.6905(8) 0.6704(3) 0.3291(3) 0.076(2) Uani 1 1 d . . .
H5 H 0.7513 0.7098 0.3205 0.091 Uiso 1 1 calc R . .
B7 B 0.7099(8) 0.5456(3) 0.2951(3) 0.074(2) Uani 1 1 d . . .
H7 H 0.7795 0.5228 0.2698 0.088 Uiso 1 1 calc R . .
B8 B 0.6622(6) 0.6209(3) 0.2718(3) 0.0602(17) Uani 1 1 d . . .
H8 H 0.7053 0.6357 0.2348 0.072 Uiso 1 1 calc R . .
H8A H 0.7617 0.6346 0.2995 0.072 Uiso 1 1 d R . .
B9 B 0.5336(6) 0.6437(3) 0.3154(2) 0.0523(15) Uani 1 1 d . . .
B10 B 0.5018(8) 0.5842(3) 0.3601(2) 0.0651(18) Uani 1 1 d . . .
H10 H 0.4049 0.5751 0.3744 0.078 Uiso 1 1 calc R . .
B11 B 0.6093(8) 0.5254(3) 0.3477(3) 0.071(2) Uani 1 1 d . . .
H11 H 0.5825 0.4780 0.3554 0.085 Uiso 1 1 calc R . .
B12 B 0.5459(6) 0.5664(3) 0.2940(2) 0.0532(16) Uani 1 1 d . . .
C1 C 0.7439(6) 0.6255(3) 0.3740(3) 0.087(2) Uani 1 1 d . . .
H1 H 0.8400 0.6430 0.3844 0.104 Uiso 1 1 calc R . .
C2 C 0.7536(7) 0.5568(3) 0.3555(3) 0.084(2) Uani 1 1 d . . .
H2 H 0.8538 0.5413 0.3577 0.101 Uiso 1 1 calc R . .
C13 C 0.0617(5) 0.6536(3) 0.2860(2) 0.0597(15) Uani 1 1 d . . .
C14 C 0.1022(5) 0.6141(3) 0.3266(2) 0.0678(16) Uani 1 1 d . . .
C15 C 0.1082(6) 0.5529(3) 0.3047(3) 0.079(2) Uani 1 1 d . . .
C16 C 0.0683(6) 0.5575(3) 0.2510(3) 0.077(2) Uani 1 1 d . . .
C17 C 0.0370(6) 0.6197(4) 0.2398(3) 0.0788(19) Uani 1 1 d . . .
C18 C 0.0367(6) 0.7197(3) 0.2910(3) 0.094(2) Uani 1 1 d . . .
H18A H -0.0457 0.7259 0.3063 0.140 Uiso 1 1 calc R . .
H18B H 0.0376 0.7383 0.2568 0.140 Uiso 1 1 calc R . .
H18C H 0.1019 0.7378 0.3132 0.140 Uiso 1 1 calc R . .
C19 C 0.1295(8) 0.6286(4) 0.3841(3) 0.111(3) Uani 1 1 d . . .
H19A H 0.1767 0.6659 0.3867 0.167 Uiso 1 1 calc R . .
H19B H 0.1791 0.5965 0.3999 0.167 Uiso 1 1 calc R . .
H19C H 0.0499 0.6327 0.4021 0.167 Uiso 1 1 calc R . .
C20 C 0.1402(8) 0.4949(3) 0.3335(3) 0.115(3) Uani 1 1 d . . .
H20A H 0.1605 0.4639 0.3085 0.173 Uiso 1 1 calc R . .
H20B H 0.0678 0.4824 0.3535 0.173 Uiso 1 1 calc R . .
H20C H 0.2126 0.5015 0.3567 0.173 Uiso 1 1 calc R . .
C21 C 0.0486(7) 0.5036(4) 0.2138(3) 0.118(3) Uani 1 1 d . . .
H21A H 0.0168 0.4695 0.2332 0.176 Uiso 1 1 calc R . .
H21B H 0.1289 0.4930 0.1984 0.176 Uiso 1 1 calc R . .
H21C H -0.0122 0.5143 0.1865 0.176 Uiso 1 1 calc R . .
C22 C -0.0097(7) 0.6424(4) 0.1906(3) 0.113(3) Uani 1 1 d . . .
H22A H -0.0397 0.6093 0.1691 0.170 Uiso 1 1 calc R . .
H22B H 0.0582 0.6632 0.1731 0.170 Uiso 1 1 calc R . .
H22C H -0.0790 0.6701 0.1964 0.170 Uiso 1 1 calc R . .
C23 C 0.3418(5) 0.5801(2) 0.07293(19) 0.0474(12) Uani 1 1 d . . .
C24 C 0.2223(5) 0.5671(3) 0.0945(2) 0.0670(16) Uani 1 1 d . . .
H24 H 0.2137 0.5645 0.1308 0.080 Uiso 1 1 calc R . .
C25 C 0.1156(6) 0.5579(3) 0.0607(3) 0.0754(18) Uani 1 1 d . . .
H25 H 0.0353 0.5502 0.0745 0.091 Uiso 1 1 calc R . .
C26 C 0.1303(7) 0.5603(3) 0.0075(3) 0.0825(19) Uani 1 1 d . . .
H26 H 0.0607 0.5528 -0.0151 0.099 Uiso 1 1 calc R . .
C27 C 0.2477(6) 0.5738(3) -0.0127(2) 0.0734(18) Uani 1 1 d . . .
H27 H 0.2563 0.5765 -0.0490 0.088 Uiso 1 1 calc R . .
C28 C 0.3533(6) 0.5834(3) 0.0197(2) 0.0636(15) Uani 1 1 d . . .
H28 H 0.4324 0.5922 0.0052 0.076 Uiso 1 1 calc R . .
C29 C 0.5190(5) 0.5071(2) 0.13093(19) 0.0512(13) Uani 1 1 d . . .
C30 C 0.6321(6) 0.4956(2) 0.1598(2) 0.0617(15) Uani 1 1 d . . .
H30 H 0.6798 0.5274 0.1743 0.074 Uiso 1 1 calc R . .
C31 C 0.6720(7) 0.4356(3) 0.1665(2) 0.0784(19) Uani 1 1 d . . .
H31 H 0.7489 0.4277 0.1843 0.094 Uiso 1 1 calc R . .
C32 C 0.6013(9) 0.3886(3) 0.1475(3) 0.093(2) Uani 1 1 d . . .
H32 H 0.6283 0.3490 0.1536 0.112 Uiso 1 1 calc R . .
C33 C 0.4913(7) 0.3994(3) 0.1198(3) 0.086(2) Uani 1 1 d . . .
H33 H 0.4444 0.3670 0.1061 0.103 Uiso 1 1 calc R . .
C34 C 0.4474(6) 0.4587(2) 0.1117(3) 0.0709(17) Uani 1 1 d . . .
H34 H 0.3705 0.4655 0.0934 0.085 Uiso 1 1 calc R . .
C35 C 0.6160(5) 0.6127(2) 0.08656(19) 0.0468(12) Uani 1 1 d . . .
C36 C 0.6617(5) 0.5796(3) 0.0438(2) 0.0622(15) Uani 1 1 d . . .
H36 H 0.6192 0.5448 0.0322 0.075 Uiso 1 1 calc R . .
C37 C 0.7705(7) 0.5993(3) 0.0192(3) 0.083(2) Uani 1 1 d . . .
H37 H 0.8012 0.5774 -0.0092 0.099 Uiso 1 1 calc R . .
C38 C 0.8348(6) 0.6508(3) 0.0355(3) 0.083(2) Uani 1 1 d . . .
H38 H 0.9070 0.6641 0.0180 0.100 Uiso 1 1 calc R . .
C39 C 0.7905(6) 0.6818(3) 0.0778(3) 0.0707(17) Uani 1 1 d . . .
H39 H 0.8347 0.7159 0.0898 0.085 Uiso 1 1 calc R . .
C40 C 0.6816(5) 0.6635(3) 0.1031(2) 0.0587(14) Uani 1 1 d . . .
H40 H 0.6522 0.6857 0.1315 0.070 Uiso 1 1 calc R . .
C41 C 0.3763(6) 0.7403(2) 0.0877(2) 0.0588(14) Uani 1 1 d . . .
C42 C 0.2593(7) 0.7195(3) 0.0660(3) 0.0814(19) Uani 1 1 d . . .
H42 H 0.1970 0.7040 0.0879 0.098 Uiso 1 1 calc R . .
C43 C 0.2362(8) 0.7220(3) 0.0120(3) 0.094(2) Uani 1 1 d . . .
H43 H 0.1582 0.7088 -0.0023 0.112 Uiso 1 1 calc R . .
C44 C 0.3287(8) 0.7438(3) -0.0196(3) 0.091(2) Uani 1 1 d . . .
H44 H 0.3122 0.7465 -0.0556 0.109 Uiso 1 1 calc R . .
C45 C 0.4458(7) 0.7619(3) 0.0003(2) 0.0785(19) Uani 1 1 d . . .
H45 H 0.5092 0.7753 -0.0222 0.094 Uiso 1 1 calc R . .
C46 C 0.4687(7) 0.7602(3) 0.0539(2) 0.0770(18) Uani 1 1 d . . .
H46 H 0.5480 0.7727 0.0674 0.092 Uiso 1 1 calc R . .
C47 C 0.5389(5) 0.7883(2) 0.1717(2) 0.0530(13) Uani 1 1 d . . .
C48 C 0.5423(6) 0.8470(2) 0.1504(3) 0.0751(18) Uani 1 1 d . . .
H48 H 0.4778 0.8593 0.1269 0.090 Uiso 1 1 calc R . .
C49 C 0.6380(7) 0.8858(3) 0.1636(3) 0.088(2) Uani 1 1 d . . .
H49 H 0.6396 0.9240 0.1481 0.105 Uiso 1 1 calc R . .
C50 C 0.7302(6) 0.8706(3) 0.1982(3) 0.0754(18) Uani 1 1 d . . .
H50 H 0.7951 0.8980 0.2068 0.091 Uiso 1 1 calc R . .
C51 C 0.7291(6) 0.8145(3) 0.2212(3) 0.0767(18) Uani 1 1 d . . .
H51 H 0.7922 0.8041 0.2460 0.092 Uiso 1 1 calc R . .
C52 C 0.6338(6) 0.7731(2) 0.2074(2) 0.0594(14) Uani 1 1 d . . .
H52 H 0.6344 0.7346 0.2225 0.071 Uiso 1 1 calc R . .
C53 C 0.2744(6) 0.7878(3) 0.1854(3) 0.0668(16) Uani 1 1 d . . .
C54 C 0.3018(6) 0.8171(3) 0.2327(3) 0.0774(18) Uani 1 1 d . . .
H54 H 0.3774 0.8083 0.2513 0.093 Uiso 1 1 calc R . .
C55 C 0.2164(7) 0.8595(3) 0.2523(3) 0.086(2) Uani 1 1 d . . .
H55 H 0.2348 0.8791 0.2840 0.103 Uiso 1 1 calc R . .
C56 C 0.1034(7) 0.8725(3) 0.2245(3) 0.089(2) Uani 1 1 d . . .
H56 H 0.0462 0.9009 0.2376 0.107 Uiso 1 1 calc R . .
C57 C 0.0759(7) 0.8432(3) 0.1772(3) 0.092(2) Uani 1 1 d . . .
H57 H 0.0004 0.8519 0.1586 0.110 Uiso 1 1 calc R . .
C58 C 0.1614(6) 0.8008(3) 0.1576(3) 0.085(2) Uani 1 1 d . . .
H58 H 0.1430 0.7812 0.1260 0.102 Uiso 1 1 calc R . .
P1 P 0.40370(13) 0.73586(6) 0.15977(5) 0.0463(3) Uani 1 1 d . . .
P2 P 0.47230(13) 0.58727(6) 0.12202(5) 0.0440(3) Uani 1 1 d . . .
Rh1 Rh 0.24178(4) 0.609737(19) 0.265456(16) 0.04976(13) Uani 1 1 d . . .
Rh2 Rh 0.43111(4) 0.641356(17) 0.197092(14) 0.04075(12) Uani 1 1 d . . .
S1 S 0.39550(12) 0.68416(5) 0.28207(5) 0.0458(3) Uani 1 1 d . . .
S2 S 0.41409(13) 0.54746(5) 0.24505(5) 0.0492(3) 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
B3 C1 1.659(11) . ?
B3 C2 1.677(11) . ?
B3 B4 1.745(11) . ?
B3 B11 1.767(11) . ?
B3 B10 1.791(10) . ?
B3 H3 1.1000 . ?
B4 C1 1.716(9) . ?
B4 B10 1.733(10) . ?
B4 B9 1.761(9) . ?
B4 B5 1.803(12) . ?
B4 H4 1.1000 . ?
B5 C1 1.601(10) . ?
B5 B9 1.766(10) . ?
B5 B8 1.839(9) . ?
B5 H5 1.1000 . ?
B5 H8A 1.3280 . ?
B7 C2 1.611(9) . ?
B7 B12 1.769(10) . ?
B7 B11 1.774(11) . ?
B7 B8 1.829(9) . ?
B7 H7 1.1000 . ?
B8 B12 1.806(9) . ?
B8 B9 1.828(9) . ?
B8 H8 1.1000 . ?
B8 H8A 1.2769 . ?
B9 B10 1.772(9) . ?
B9 B12 1.794(8) . ?
B9 S1 1.879(6) . ?
B10 B11 1.746(9) . ?
B10 B12 1.794(9) . ?
B10 H10 1.1000 . ?
B11 C2 1.664(10) . ?
B11 B12 1.755(9) . ?
B11 H11 1.1000 . ?
B12 S2 1.881(6) . ?
C1 C2 1.589(9) . ?
C1 H1 1.1000 . ?
C2 H2 1.1000 . ?
C13 C14 1.409(8) . ?
C13 C17 1.411(9) . ?
C13 C18 1.488(8) . ?
C13 Rh1 2.184(5) . ?
C14 C15 1.459(9) . ?
C14 C19 1.516(9) . ?
C14 Rh1 2.154(5) . ?
C15 C16 1.423(9) . ?
C15 C20 1.507(9) . ?
C15 Rh1 2.135(6) . ?
C16 C17 1.436(9) . ?
C16 C21 1.529(9) . ?
C16 Rh1 2.169(5) . ?
C17 C22 1.423(10) . ?
C17 Rh1 2.230(6) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C28 1.363(7) . ?
C23 C24 1.401(7) . ?
C23 P2 1.833(5) . ?
C24 C25 1.405(8) . ?
C24 H24 0.9300 . ?
C25 C26 1.366(9) . ?
C25 H25 0.9300 . ?
C26 C27 1.369(9) . ?
C26 H26 0.9300 . ?
C27 C28 1.376(8) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 C34 1.386(7) . ?
C29 C30 1.399(7) . ?
C29 P2 1.845(5) . ?
C30 C31 1.396(8) . ?
C30 H30 0.9300 . ?
C31 C32 1.353(9) . ?
C31 H31 0.9300 . ?
C32 C33 1.354(10) . ?
C32 H32 0.9300 . ?
C33 C34 1.398(8) . ?
C33 H33 0.9300 . ?
C34 H34 0.9300 . ?
C35 C40 1.372(7) . ?
C35 C36 1.402(7) . ?
C35 P2 1.852(5) . ?
C36 C37 1.378(8) . ?
C36 H36 0.9300 . ?
C37 C38 1.376(9) . ?
C37 H37 0.9300 . ?
C38 C39 1.363(9) . ?
C38 H38 0.9300 . ?
C39 C40 1.377(7) . ?
C39 H39 0.9300 . ?
C40 H40 0.9300 . ?
C41 C46 1.377(8) . ?
C41 C42 1.405(8) . ?
C41 P1 1.850(6) . ?
C42 C43 1.389(9) . ?
C42 H42 0.9300 . ?
C43 C44 1.355(10) . ?
C43 H43 0.9300 . ?
C44 C45 1.371(9) . ?
C44 H44 0.9300 . ?
C45 C46 1.379(8) . ?
C45 H45 0.9300 . ?
C46 H46 0.9300 . ?
C47 C52 1.369(7) . ?
C47 C48 1.403(7) . ?
C47 P1 1.842(5) . ?
C48 C49 1.351(8) . ?
C48 H48 0.9300 . ?
C49 C50 1.333(9) . ?
C49 H49 0.9300 . ?
C50 C51 1.367(8) . ?
C50 H50 0.9300 . ?
C51 C52 1.389(8) . ?
C51 H51 0.9300 . ?
C52 H52 0.9300 . ?
C53 C54 1.390(8) . ?
C53 C58 1.390(8) . ?
C53 P1 1.894(6) . ?
C54 C55 1.390(8) . ?
C54 H54 0.9300 . ?
C55 C56 1.390(10) . ?
C55 H55 0.9300 . ?
C56 C57 1.390(10) . ?
C56 H56 0.9300 . ?
C57 C58 1.390(8) . ?
C57 H57 0.9300 . ?
C58 H58 0.9300 . ?
P1 Rh2 2.3041(13) . ?
P2 Rh2 2.2979(13) . ?
Rh1 S1 2.3255(13) . ?
Rh1 S2 2.3278(14) . ?
Rh1 Rh2 2.7466(6) . ?
Rh2 S1 2.3928(12) . ?
Rh2 S2 2.4103(13) . ?

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
C1 B3 C2 56.9(4) . . ?
C1 B3 B4 60.5(4) . . ?
C2 B3 B4 105.9(6) . . ?
C1 B3 B11 103.6(6) . . ?
C2 B3 B11 57.7(4) . . ?
B4 B3 B11 107.5(5) . . ?
C1 B3 B10 102.9(5) . . ?
C2 B3 B10 102.1(5) . . ?
B4 B3 B10 58.7(4) . . ?
B11 B3 B10 58.8(4) . . ?
C1 B3 H3 124.6 . . ?
C2 B3 H3 125.1 . . ?
B4 B3 H3 121.1 . . ?
B11 B3 H3 123.1 . . ?
B10 B3 H3 125.2 . . ?
C1 B4 B10 103.0(5) . . ?
C1 B4 B3 57.3(4) . . ?
B10 B4 B3 62.0(4) . . ?
C1 B4 B9 99.5(5) . . ?
B10 B4 B9 60.9(4) . . ?
B3 B4 B9 108.5(5) . . ?
C1 B4 B5 54.1(4) . . ?
B10 B4 B5 107.8(5) . . ?
B3 B4 B5 104.6(5) . . ?
B9 B4 B5 59.4(4) . . ?
C1 B4 H4 128.9 . . ?
B10 B4 H4 121.0 . . ?
B3 B4 H4 121.4 . . ?
B9 B4 H4 123.1 . . ?
B5 B4 H4 123.8 . . ?
C1 B5 B9 103.9(6) . . ?
C1 B5 B4 60.2(4) . . ?
B9 B5 B4 59.1(4) . . ?
C1 B5 B8 104.2(5) . . ?
B9 B5 B8 60.9(4) . . ?
B4 B5 B8 109.2(5) . . ?
C1 B5 H5 115.9 . . ?
B9 B5 H5 139.4 . . ?
B4 B5 H5 136.6 . . ?
B8 B5 H5 113.2 . . ?
C1 B5 H8A 81.2 . . ?
B9 B5 H8A 102.5 . . ?
B4 B5 H8A 126.8 . . ?
B8 B5 H8A 44.0 . . ?
H5 B5 H8A 91.4 . . ?
C2 B7 B12 103.2(5) . . ?
C2 B7 B11 58.6(4) . . ?
B12 B7 B11 59.4(4) . . ?
C2 B7 B8 103.8(5) . . ?
B12 B7 B8 60.2(4) . . ?
B11 B7 B8 108.2(5) . . ?
C2 B7 H7 116.7 . . ?
B12 B7 H7 139.3 . . ?
B11 B7 H7 137.1 . . ?
B8 B7 H7 113.8 . . ?
B12 B8 B9 59.2(3) . . ?
B12 B8 B7 58.3(4) . . ?
B9 B8 B7 104.5(5) . . ?
B12 B8 B5 104.1(5) . . ?
B9 B8 B5 57.6(4) . . ?
B7 B8 B5 104.1(5) . . ?
B12 B8 H8 138.9 . . ?
B9 B8 H8 139.0 . . ?
B7 B8 H8 115.7 . . ?
B5 B8 H8 116.1 . . ?
B12 B8 H8A 121.8 . . ?
B9 B8 H8A 101.4 . . ?
B7 B8 H8A 79.9 . . ?
B5 B8 H8A 46.2 . . ?
H8 B8 H8A 93.4 . . ?
B4 B9 B5 61.5(4) . . ?
B4 B9 B10 58.8(4) . . ?
B5 B9 B10 107.8(5) . . ?
B4 B9 B12 107.9(4) . . ?
B5 B9 B12 107.7(4) . . ?
B10 B9 B12 60.4(3) . . ?
B4 B9 B8 111.6(5) . . ?
B5 B9 B8 61.5(4) . . ?
B10 B9 B8 109.6(4) . . ?
B12 B9 B8 59.8(3) . . ?
B4 B9 S1 129.3(4) . . ?
B5 B9 S1 128.9(4) . . ?
B10 B9 S1 119.2(4) . . ?
B12 B9 S1 111.9(4) . . ?
B8 B9 S1 114.9(4) . . ?
B4 B10 B11 108.9(6) . . ?
B4 B10 B9 60.3(4) . . ?
B11 B10 B9 107.8(5) . . ?
B4 B10 B3 59.3(4) . . ?
B11 B10 B3 59.9(4) . . ?
B9 B10 B3 106.0(5) . . ?
B4 B10 B12 109.2(5) . . ?
B11 B10 B12 59.4(4) . . ?
B9 B10 B12 60.4(3) . . ?
B3 B10 B12 106.5(5) . . ?
B4 B10 H10 120.8 . . ?
B11 B10 H10 121.5 . . ?
B9 B10 H10 122.2 . . ?
B3 B10 H10 123.3 . . ?
B12 B10 H10 121.8 . . ?
C2 B11 B10 104.5(5) . . ?
C2 B11 B12 101.6(5) . . ?
B10 B11 B12 61.6(4) . . ?
C2 B11 B3 58.5(5) . . ?
B10 B11 B3 61.3(4) . . ?
B12 B11 B3 109.3(5) . . ?
C2 B11 B7 55.8(4) . . ?
B10 B11 B7 110.0(5) . . ?
B12 B11 B7 60.2(4) . . ?
B3 B11 B7 107.1(6) . . ?
C2 B11 H11 127.4 . . ?
B10 B11 H11 120.4 . . ?
B12 B11 H11 122.4 . . ?
B3 B11 H11 120.8 . . ?
B7 B11 H11 121.9 . . ?
B11 B12 B7 60.4(4) . . ?
B11 B12 B9 106.4(4) . . ?
B7 B12 B9 108.5(5) . . ?
B11 B12 B10 58.9(4) . . ?
B7 B12 B10 108.0(5) . . ?
B9 B12 B10 59.2(3) . . ?
B11 B12 B8 110.0(5) . . ?
B7 B12 B8 61.5(4) . . ?
B9 B12 B8 61.0(3) . . ?
B10 B12 B8 109.6(4) . . ?
B11 B12 S2 131.1(4) . . ?
B7 B12 S2 130.1(4) . . ?
B9 B12 S2 110.8(4) . . ?
B10 B12 S2 118.0(4) . . ?
B8 B12 S2 115.3(4) . . ?
C2 C1 B5 113.7(5) . . ?
C2 C1 B3 62.2(5) . . ?
B5 C1 B3 118.8(6) . . ?
C2 C1 B4 111.4(6) . . ?
B5 C1 B4 65.7(5) . . ?
B3 C1 B4 62.2(5) . . ?
C2 C1 H1 110.0 . . ?
B5 C1 H1 104.9 . . ?
B3 C1 H1 135.1 . . ?
B4 C1 H1 137.6 . . ?
C1 C2 B7 114.2(5) . . ?
C1 C2 B11 111.7(5) . . ?
B7 C2 B11 65.6(5) . . ?
C1 C2 B3 61.0(5) . . ?
B7 C2 B3 120.0(6) . . ?
B11 C2 B3 63.8(5) . . ?
C1 C2 H2 110.4 . . ?
B7 C2 H2 104.4 . . ?
B11 C2 H2 137.0 . . ?
B3 C2 H2 134.6 . . ?
C14 C13 C17 109.2(6) . . ?
C14 C13 C18 126.4(6) . . ?
C17 C13 C18 124.2(6) . . ?
C14 C13 Rh1 69.9(3) . . ?
C17 C13 Rh1 73.2(3) . . ?
C18 C13 Rh1 127.4(4) . . ?
C13 C14 C15 107.8(6) . . ?
C13 C14 C19 128.5(6) . . ?
C15 C14 C19 123.7(6) . . ?
C13 C14 Rh1 72.2(3) . . ?
C15 C14 Rh1 69.4(3) . . ?
C19 C14 Rh1 126.1(5) . . ?
C16 C15 C14 106.7(6) . . ?
C16 C15 C20 125.6(7) . . ?
C14 C15 C20 127.5(7) . . ?
C16 C15 Rh1 72.0(3) . . ?
C14 C15 Rh1 70.8(3) . . ?
C20 C15 Rh1 125.7(5) . . ?
C15 C16 C17 108.5(6) . . ?
C15 C16 C21 124.8(7) . . ?
C17 C16 C21 126.3(7) . . ?
C15 C16 Rh1 69.4(3) . . ?
C17 C16 Rh1 73.3(3) . . ?
C21 C16 Rh1 128.2(4) . . ?
C13 C17 C22 126.7(7) . . ?
C13 C17 C16 107.7(6) . . ?
C22 C17 C16 125.6(7) . . ?
C13 C17 Rh1 69.6(3) . . ?
C22 C17 Rh1 126.8(5) . . ?
C16 C17 Rh1 68.7(4) . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C28 C23 C24 119.8(5) . . ?
C28 C23 P2 126.3(4) . . ?
C24 C23 P2 113.8(4) . . ?
C23 C24 C25 119.3(6) . . ?
C23 C24 H24 120.4 . . ?
C25 C24 H24 120.4 . . ?
C26 C25 C24 119.7(6) . . ?
C26 C25 H25 120.1 . . ?
C24 C25 H25 120.1 . . ?
C25 C26 C27 119.9(6) . . ?
C25 C26 H26 120.0 . . ?
C27 C26 H26 120.0 . . ?
C26 C27 C28 121.3(6) . . ?
C26 C27 H27 119.3 . . ?
C28 C27 H27 119.3 . . ?
C23 C28 C27 119.9(6) . . ?
C23 C28 H28 120.0 . . ?
C27 C28 H28 120.0 . . ?
C34 C29 C30 119.1(5) . . ?
C34 C29 P2 123.8(4) . . ?
C30 C29 P2 117.1(4) . . ?
C31 C30 C29 118.7(6) . . ?
C31 C30 H30 120.6 . . ?
C29 C30 H30 120.6 . . ?
C32 C31 C30 121.6(6) . . ?
C32 C31 H31 119.2 . . ?
C30 C31 H31 119.2 . . ?
C31 C32 C33 119.9(6) . . ?
C31 C32 H32 120.0 . . ?
C33 C32 H32 120.0 . . ?
C32 C33 C34 120.8(6) . . ?
C32 C33 H33 119.6 . . ?
C34 C33 H33 119.6 . . ?
C29 C34 C33 119.7(6) . . ?
C29 C34 H34 120.2 . . ?
C33 C34 H34 120.2 . . ?
C40 C35 C36 119.2(5) . . ?
C40 C35 P2 120.1(4) . . ?
C36 C35 P2 120.7(4) . . ?
C37 C36 C35 118.9(6) . . ?
C37 C36 H36 120.5 . . ?
C35 C36 H36 120.5 . . ?
C38 C37 C36 121.6(6) . . ?
C38 C37 H37 119.2 . . ?
C36 C37 H37 119.2 . . ?
C39 C38 C37 118.7(6) . . ?
C39 C38 H38 120.7 . . ?
C37 C38 H38 120.7 . . ?
C38 C39 C40 121.2(6) . . ?
C38 C39 H39 119.4 . . ?
C40 C39 H39 119.4 . . ?
C35 C40 C39 120.4(5) . . ?
C35 C40 H40 119.8 . . ?
C39 C40 H40 119.8 . . ?
C46 C41 C42 118.1(6) . . ?
C46 C41 P1 122.7(5) . . ?
C42 C41 P1 119.1(5) . . ?
C43 C42 C41 120.5(7) . . ?
C43 C42 H42 119.8 . . ?
C41 C42 H42 119.8 . . ?
C44 C43 C42 119.2(7) . . ?
C44 C43 H43 120.4 . . ?
C42 C43 H43 120.4 . . ?
C43 C44 C45 121.7(6) . . ?
C43 C44 H44 119.1 . . ?
C45 C44 H44 119.1 . . ?
C44 C45 C46 119.3(6) . . ?
C44 C45 H45 120.3 . . ?
C46 C45 H45 120.3 . . ?
C41 C46 C45 121.1(6) . . ?
C41 C46 H46 119.4 . . ?
C45 C46 H46 119.4 . . ?
C52 C47 C48 117.2(5) . . ?
C52 C47 P1 119.6(4) . . ?
C48 C47 P1 122.7(4) . . ?
C49 C48 C47 120.8(6) . . ?
C49 C48 H48 119.6 . . ?
C47 C48 H48 119.6 . . ?
C50 C49 C48 121.5(6) . . ?
C50 C49 H49 119.2 . . ?
C48 C49 H49 119.2 . . ?
C49 C50 C51 119.8(6) . . ?
C49 C50 H50 120.1 . . ?
C51 C50 H50 120.1 . . ?
C50 C51 C52 120.0(6) . . ?
C50 C51 H51 120.0 . . ?
C52 C51 H51 120.0 . . ?
C47 C52 C51 120.6(5) . . ?
C47 C52 H52 119.7 . . ?
C51 C52 H52 119.7 . . ?
C54 C53 C58 120.0(6) . . ?
C54 C53 P1 116.3(5) . . ?
C58 C53 P1 123.5(5) . . ?
C53 C54 C55 120.0(7) . . ?
C53 C54 H54 120.0 . . ?
C55 C54 H54 120.0 . . ?
C56 C55 C54 120.0(7) . . ?
C56 C55 H55 120.0 . . ?
C54 C55 H55 120.0 . . ?
C57 C56 C55 120.0(6) . . ?
C57 C56 H56 120.0 . . ?
C55 C56 H56 120.0 . . ?
C56 C57 C58 120.0(7) . . ?
C56 C57 H57 120.0 . . ?
C58 C57 H57 120.0 . . ?
C57 C58 C53 120.0(7) . . ?
C57 C58 H58 120.0 . . ?
C53 C58 H58 120.0 . . ?
C47 P1 C41 103.4(3) . . ?
C47 P1 C53 96.4(3) . . ?
C41 P1 C53 102.3(3) . . ?
C47 P1 Rh2 114.31(18) . . ?
C41 P1 Rh2 118.05(17) . . ?
C53 P1 Rh2 119.16(19) . . ?
C23 P2 C29 101.0(2) . . ?
C23 P2 C35 106.9(2) . . ?
C29 P2 C35 97.8(2) . . ?
C23 P2 Rh2 117.44(16) . . ?
C29 P2 Rh2 116.63(16) . . ?
C35 P2 Rh2 114.47(17) . . ?
C15 Rh1 C14 39.8(2) . . ?
C15 Rh1 C16 38.6(2) . . ?
C14 Rh1 C16 64.7(2) . . ?
C15 Rh1 C13 64.9(2) . . ?
C14 Rh1 C13 37.9(2) . . ?
C16 Rh1 C13 63.8(2) . . ?
C15 Rh1 C17 64.2(3) . . ?
C14 Rh1 C17 63.2(2) . . ?
C16 Rh1 C17 38.1(2) . . ?
C13 Rh1 C17 37.3(2) . . ?
C15 Rh1 S1 141.48(19) . . ?
C14 Rh1 S1 108.13(17) . . ?
C16 Rh1 S1 167.0(2) . . ?
C13 Rh1 S1 103.70(15) . . ?
C17 Rh1 S1 129.5(2) . . ?
C15 Rh1 S2 105.8(2) . . ?
C14 Rh1 S2 136.31(19) . . ?
C16 Rh1 S2 107.06(19) . . ?
C13 Rh1 S2 170.11(15) . . ?
C17 Rh1 S2 136.97(19) . . ?
S1 Rh1 S2 85.67(5) . . ?
C15 Rh1 Rh2 158.22(18) . . ?
C14 Rh1 Rh2 161.95(17) . . ?
C16 Rh1 Rh2 129.42(17) . . ?
C13 Rh1 Rh2 132.16(16) . . ?
C17 Rh1 Rh2 119.09(18) . . ?
S1 Rh1 Rh2 55.55(3) . . ?
S2 Rh1 Rh2 55.99(3) . . ?
P2 Rh2 P1 98.68(5) . . ?
P2 Rh2 S1 171.57(5) . . ?
P1 Rh2 S1 89.70(5) . . ?
P2 Rh2 S2 89.51(4) . . ?
P1 Rh2 S2 167.07(5) . . ?
S1 Rh2 S2 82.40(4) . . ?
P2 Rh2 Rh1 122.89(4) . . ?
P1 Rh2 Rh1 113.91(4) . . ?
S1 Rh2 Rh1 53.26(3) . . ?
S2 Rh2 Rh1 53.18(3) . . ?
B9 S1 Rh1 105.4(2) . . ?
B9 S1 Rh2 95.02(18) . . ?
Rh1 S1 Rh2 71.18(4) . . ?
B12 S2 Rh1 106.15(19) . . ?
B12 S2 Rh2 94.76(19) . . ?
Rh1 S2 Rh2 70.83(4) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2 B3 B4 C1 -35.5(5) . . . . ?
B11 B3 B4 C1 -96.0(6) . . . . ?
B10 B3 B4 C1 -130.2(5) . . . . ?
C1 B3 B4 B10 130.2(5) . . . . ?
C2 B3 B4 B10 94.6(6) . . . . ?
B11 B3 B4 B10 34.2(5) . . . . ?
C1 B3 B4 B9 89.5(6) . . . . ?
C2 B3 B4 B9 54.0(7) . . . . ?
B11 B3 B4 B9 -6.5(8) . . . . ?
B10 B3 B4 B9 -40.6(5) . . . . ?
C1 B3 B4 B5 27.4(5) . . . . ?
C2 B3 B4 B5 -8.1(7) . . . . ?
B11 B3 B4 B5 -68.6(7) . . . . ?
B10 B3 B4 B5 -102.7(5) . . . . ?
B10 B4 B5 C1 -93.3(6) . . . . ?
B3 B4 B5 C1 -28.6(5) . . . . ?
B9 B4 B5 C1 -131.8(5) . . . . ?
C1 B4 B5 B9 131.8(5) . . . . ?
B10 B4 B5 B9 38.4(4) . . . . ?
B3 B4 B5 B9 103.2(5) . . . . ?
C1 B4 B5 B8 95.7(5) . . . . ?
B10 B4 B5 B8 2.3(6) . . . . ?
B3 B4 B5 B8 67.1(6) . . . . ?
B9 B4 B5 B8 -36.1(4) . . . . ?
C2 B7 B8 B12 -97.5(6) . . . . ?
B11 B7 B8 B12 -36.4(5) . . . . ?
C2 B7 B8 B9 -59.0(6) . . . . ?
B12 B7 B8 B9 38.5(4) . . . . ?
B11 B7 B8 B9 2.1(6) . . . . ?
C2 B7 B8 B5 0.6(7) . . . . ?
B12 B7 B8 B5 98.1(5) . . . . ?
B11 B7 B8 B5 61.7(6) . . . . ?
C1 B5 B8 B12 60.1(6) . . . . ?
B9 B5 B8 B12 -38.1(4) . . . . ?
B4 B5 B8 B12 -2.8(6) . . . . ?
C1 B5 B8 B9 98.3(6) . . . . ?
B4 B5 B8 B9 35.3(4) . . . . ?
C1 B5 B8 B7 -0.1(7) . . . . ?
B9 B5 B8 B7 -98.4(5) . . . . ?
B4 B5 B8 B7 -63.1(6) . . . . ?
C1 B4 B9 B5 -37.8(5) . . . . ?
B10 B4 B9 B5 -137.4(5) . . . . ?
B3 B4 B9 B5 -96.3(6) . . . . ?
C1 B4 B9 B10 99.7(5) . . . . ?
B3 B4 B9 B10 41.1(5) . . . . ?
B5 B4 B9 B10 137.4(5) . . . . ?
C1 B4 B9 B12 63.1(6) . . . . ?
B10 B4 B9 B12 -36.6(5) . . . . ?
B3 B4 B9 B12 4.6(7) . . . . ?
B5 B4 B9 B12 100.9(5) . . . . ?
C1 B4 B9 B8 -0.8(6) . . . . ?
B10 B4 B9 B8 -100.4(5) . . . . ?
B3 B4 B9 B8 -59.3(7) . . . . ?
B5 B4 B9 B8 37.0(5) . . . . ?
C1 B4 B9 S1 -156.4(5) . . . . ?
B10 B4 B9 S1 104.0(6) . . . . ?
B3 B4 B9 S1 145.1(5) . . . . ?
B5 B4 B9 S1 -118.6(6) . . . . ?
C1 B5 B9 B4 41.8(5) . . . . ?
B8 B5 B9 B4 140.5(5) . . . . ?
C1 B5 B9 B10 4.4(6) . . . . ?
B4 B5 B9 B10 -37.4(4) . . . . ?
B8 B5 B9 B10 103.1(5) . . . . ?
C1 B5 B9 B12 -59.4(6) . . . . ?
B4 B5 B9 B12 -101.2(5) . . . . ?
B8 B5 B9 B12 39.3(4) . . . . ?
C1 B5 B9 B8 -98.6(5) . . . . ?
B4 B5 B9 B8 -140.5(5) . . . . ?
C1 B5 B9 S1 161.0(4) . . . . ?
B4 B5 B9 S1 119.2(6) . . . . ?
B8 B5 B9 S1 -100.3(5) . . . . ?
B12 B8 B9 B4 98.8(5) . . . . ?
B7 B8 B9 B4 60.7(6) . . . . ?
B5 B8 B9 B4 -37.0(5) . . . . ?
B12 B8 B9 B5 135.8(5) . . . . ?
B7 B8 B9 B5 97.7(5) . . . . ?
B12 B8 B9 B10 35.6(4) . . . . ?
B7 B8 B9 B10 -2.4(6) . . . . ?
B5 B8 B9 B10 -100.1(5) . . . . ?
B7 B8 B9 B12 -38.0(4) . . . . ?
B5 B8 B9 B12 -135.8(5) . . . . ?
B12 B8 B9 S1 -101.9(4) . . . . ?
B7 B8 B9 S1 -139.9(4) . . . . ?
B5 B8 B9 S1 122.4(5) . . . . ?
C1 B4 B10 B11 6.3(6) . . . . ?
B3 B4 B10 B11 -35.0(5) . . . . ?
B9 B4 B10 B11 100.1(5) . . . . ?
B5 B4 B10 B11 62.4(6) . . . . ?
C1 B4 B10 B9 -93.8(5) . . . . ?
B3 B4 B10 B9 -135.1(5) . . . . ?
B5 B4 B10 B9 -37.7(5) . . . . ?
C1 B4 B10 B3 41.3(5) . . . . ?
B9 B4 B10 B3 135.1(5) . . . . ?
B5 B4 B10 B3 97.4(5) . . . . ?
C1 B4 B10 B12 -56.9(6) . . . . ?
B3 B4 B10 B12 -98.2(5) . . . . ?
B9 B4 B10 B12 36.9(4) . . . . ?
B5 B4 B10 B12 -0.9(6) . . . . ?
B5 B9 B10 B4 38.6(5) . . . . ?
B12 B9 B10 B4 139.3(5) . . . . ?
B8 B9 B10 B4 104.0(5) . . . . ?
S1 B9 B10 B4 -120.6(5) . . . . ?
B4 B9 B10 B11 -102.1(6) . . . . ?
B5 B9 B10 B11 -63.5(6) . . . . ?
B12 B9 B10 B11 37.2(5) . . . . ?
B8 B9 B10 B11 1.9(6) . . . . ?
S1 B9 B10 B11 137.3(5) . . . . ?
B4 B9 B10 B3 -39.2(5) . . . . ?
B5 B9 B10 B3 -0.6(6) . . . . ?
B12 B9 B10 B3 100.1(5) . . . . ?
B8 B9 B10 B3 64.8(6) . . . . ?
S1 B9 B10 B3 -159.8(4) . . . . ?
B4 B9 B10 B12 -139.3(5) . . . . ?
B5 B9 B10 B12 -100.7(5) . . . . ?
B8 B9 B10 B12 -35.4(4) . . . . ?
S1 B9 B10 B12 100.0(5) . . . . ?
C1 B3 B10 B4 -43.0(5) . . . . ?
C2 B3 B10 B4 -101.4(6) . . . . ?
B11 B3 B10 B4 -141.2(6) . . . . ?
C1 B3 B10 B11 98.2(6) . . . . ?
C2 B3 B10 B11 39.8(5) . . . . ?
B4 B3 B10 B11 141.2(6) . . . . ?
C1 B3 B10 B9 -3.3(6) . . . . ?
C2 B3 B10 B9 -61.7(6) . . . . ?
B4 B3 B10 B9 39.7(5) . . . . ?
B11 B3 B10 B9 -101.6(5) . . . . ?
C1 B3 B10 B12 59.8(6) . . . . ?
C2 B3 B10 B12 1.5(7) . . . . ?
B4 B3 B10 B12 102.9(5) . . . . ?
B11 B3 B10 B12 -38.4(5) . . . . ?
B4 B10 B11 C2 -6.0(6) . . . . ?
B9 B10 B11 C2 57.9(6) . . . . ?
B3 B10 B11 C2 -40.7(5) . . . . ?
B12 B10 B11 C2 95.6(5) . . . . ?
B4 B10 B11 B12 -101.6(5) . . . . ?
B9 B10 B11 B12 -37.7(5) . . . . ?
B3 B10 B11 B12 -136.3(6) . . . . ?
B4 B10 B11 B3 34.7(5) . . . . ?
B9 B10 B11 B3 98.6(6) . . . . ?
B12 B10 B11 B3 136.3(6) . . . . ?
B4 B10 B11 B7 -64.4(6) . . . . ?
B9 B10 B11 B7 -0.5(7) . . . . ?
B3 B10 B11 B7 -99.1(6) . . . . ?
B12 B10 B11 B7 37.2(5) . . . . ?
C1 B3 B11 C2 35.2(5) . . . . ?
B4 B3 B11 C2 98.1(6) . . . . ?
B10 B3 B11 C2 132.2(5) . . . . ?
C1 B3 B11 B10 -97.0(5) . . . . ?
C2 B3 B11 B10 -132.2(5) . . . . ?
B4 B3 B11 B10 -34.1(5) . . . . ?
C1 B3 B11 B12 -56.9(7) . . . . ?
C2 B3 B11 B12 -92.1(6) . . . . ?
B4 B3 B11 B12 6.0(8) . . . . ?
B10 B3 B11 B12 40.1(5) . . . . ?
C1 B3 B11 B7 6.8(7) . . . . ?
C2 B3 B11 B7 -28.4(5) . . . . ?
B4 B3 B11 B7 69.7(7) . . . . ?
B10 B3 B11 B7 103.8(5) . . . . ?
B12 B7 B11 C2 -132.1(5) . . . . ?
B8 B7 B11 C2 -95.4(5) . . . . ?
C2 B7 B11 B10 94.4(6) . . . . ?
B12 B7 B11 B10 -37.8(5) . . . . ?
B8 B7 B11 B10 -1.0(7) . . . . ?
C2 B7 B11 B12 132.1(5) . . . . ?
B8 B7 B11 B12 36.7(4) . . . . ?
C2 B7 B11 B3 29.4(5) . . . . ?
B12 B7 B11 B3 -102.8(5) . . . . ?
B8 B7 B11 B3 -66.0(6) . . . . ?
C2 B11 B12 B7 38.8(4) . . . . ?
B10 B11 B12 B7 139.1(5) . . . . ?
B3 B11 B12 B7 99.2(6) . . . . ?
C2 B11 B12 B9 -63.6(6) . . . . ?
B10 B11 B12 B9 36.8(5) . . . . ?
B3 B11 B12 B9 -3.2(7) . . . . ?
B7 B11 B12 B9 -102.3(5) . . . . ?
C2 B11 B12 B10 -100.4(5) . . . . ?
B3 B11 B12 B10 -40.0(5) . . . . ?
B7 B11 B12 B10 -139.1(5) . . . . ?
C2 B11 B12 B8 1.0(6) . . . . ?
B10 B11 B12 B8 101.3(5) . . . . ?
B3 B11 B12 B8 61.4(7) . . . . ?
B7 B11 B12 B8 -37.8(5) . . . . ?
C2 B11 B12 S2 158.0(5) . . . . ?
B10 B11 B12 S2 -101.6(6) . . . . ?
B3 B11 B12 S2 -141.6(5) . . . . ?
B7 B11 B12 S2 119.3(6) . . . . ?
C2 B7 B12 B11 -40.6(5) . . . . ?
B8 B7 B12 B11 -139.1(5) . . . . ?
C2 B7 B12 B9 58.2(6) . . . . ?
B11 B7 B12 B9 98.8(5) . . . . ?
B8 B7 B12 B9 -40.3(4) . . . . ?
C2 B7 B12 B10 -4.5(6) . . . . ?
B11 B7 B12 B10 36.1(5) . . . . ?
B8 B7 B12 B10 -103.0(5) . . . . ?
C2 B7 B12 B8 98.5(5) . . . . ?
B11 B7 B12 B8 139.1(5) . . . . ?
C2 B7 B12 S2 -161.2(5) . . . . ?
B11 B7 B12 S2 -120.7(6) . . . . ?
B8 B7 B12 S2 100.2(6) . . . . ?
B4 B9 B12 B11 -0.8(6) . . . . ?
B5 B9 B12 B11 64.1(6) . . . . ?
B10 B9 B12 B11 -36.7(5) . . . . ?
B8 B9 B12 B11 104.2(5) . . . . ?
S1 B9 B12 B11 -148.8(4) . . . . ?
B4 B9 B12 B7 -64.5(6) . . . . ?
B5 B9 B12 B7 0.5(6) . . . . ?
B10 B9 B12 B7 -100.3(5) . . . . ?
B8 B9 B12 B7 40.6(4) . . . . ?
S1 B9 B12 B7 147.5(4) . . . . ?
B4 B9 B12 B10 35.8(5) . . . . ?
B5 B9 B12 B10 100.8(5) . . . . ?
B8 B9 B12 B10 140.9(5) . . . . ?
S1 B9 B12 B10 -112.2(5) . . . . ?
B4 B9 B12 B8 -105.0(5) . . . . ?
B5 B9 B12 B8 -40.1(5) . . . . ?
B10 B9 B12 B8 -140.9(5) . . . . ?
S1 B9 B12 B8 107.0(4) . . . . ?
B4 B9 B12 S2 146.8(4) . . . . ?
B5 B9 B12 S2 -148.2(4) . . . . ?
B10 B9 B12 S2 111.0(5) . . . . ?
B8 B9 B12 S2 -108.2(4) . . . . ?
S1 B9 B12 S2 -1.2(5) . . . . ?
B4 B10 B12 B11 101.2(6) . . . . ?
B9 B10 B12 B11 138.0(5) . . . . ?
B3 B10 B12 B11 38.6(5) . . . . ?
B4 B10 B12 B7 64.4(6) . . . . ?
B11 B10 B12 B7 -36.7(5) . . . . ?
B9 B10 B12 B7 101.3(5) . . . . ?
B3 B10 B12 B7 1.8(6) . . . . ?
B4 B10 B12 B9 -36.8(4) . . . . ?
B11 B10 B12 B9 -138.0(5) . . . . ?
B3 B10 B12 B9 -99.4(5) . . . . ?
B4 B10 B12 B8 -1.0(6) . . . . ?
B11 B10 B12 B8 -102.1(5) . . . . ?
B9 B10 B12 B8 35.9(4) . . . . ?
B3 B10 B12 B8 -63.5(6) . . . . ?
B4 B10 B12 S2 -135.5(5) . . . . ?
B11 B10 B12 S2 123.3(5) . . . . ?
B9 B10 B12 S2 -98.7(5) . . . . ?
B3 B10 B12 S2 161.9(4) . . . . ?
B9 B8 B12 B11 -98.1(5) . . . . ?
B7 B8 B12 B11 37.3(5) . . . . ?
B5 B8 B12 B11 -60.8(5) . . . . ?
B9 B8 B12 B7 -135.5(5) . . . . ?
B5 B8 B12 B7 -98.1(5) . . . . ?
B7 B8 B12 B9 135.5(5) . . . . ?
B5 B8 B12 B9 37.4(4) . . . . ?
B9 B8 B12 B10 -35.1(4) . . . . ?
B7 B8 B12 B10 100.4(5) . . . . ?
B5 B8 B12 B10 2.3(6) . . . . ?
B9 B8 B12 S2 100.8(4) . . . . ?
B7 B8 B12 S2 -123.7(5) . . . . ?
B5 B8 B12 S2 138.2(4) . . . . ?
B9 B5 C1 C2 62.6(7) . . . . ?
B4 B5 C1 C2 103.9(6) . . . . ?
B8 B5 C1 C2 -0.4(8) . . . . ?
B9 B5 C1 B3 -7.5(7) . . . . ?
B4 B5 C1 B3 33.8(6) . . . . ?
B8 B5 C1 B3 -70.5(7) . . . . ?
B9 B5 C1 B4 -41.3(4) . . . . ?
B8 B5 C1 B4 -104.3(5) . . . . ?
B4 B3 C1 C2 -138.2(5) . . . . ?
B11 B3 C1 C2 -35.5(5) . . . . ?
B10 B3 C1 C2 -96.1(5) . . . . ?
C2 B3 C1 B5 103.2(6) . . . . ?
B4 B3 C1 B5 -35.0(6) . . . . ?
B11 B3 C1 B5 67.7(7) . . . . ?
B10 B3 C1 B5 7.1(8) . . . . ?
C2 B3 C1 B4 138.2(5) . . . . ?
B11 B3 C1 B4 102.6(5) . . . . ?
B10 B3 C1 B4 42.1(4) . . . . ?
B10 B4 C1 C2 -4.5(7) . . . . ?
B3 B4 C1 C2 39.3(5) . . . . ?
B9 B4 C1 C2 -66.7(7) . . . . ?
B5 B4 C1 C2 -107.3(6) . . . . ?
B10 B4 C1 B5 102.8(5) . . . . ?
B3 B4 C1 B5 146.6(6) . . . . ?
B9 B4 C1 B5 40.6(5) . . . . ?
B10 B4 C1 B3 -43.8(5) . . . . ?
B9 B4 C1 B3 -106.0(5) . . . . ?
B5 B4 C1 B3 -146.6(6) . . . . ?
B5 C1 C2 B7 0.9(9) . . . . ?
B3 C1 C2 B7 112.2(7) . . . . ?
B4 C1 C2 B7 72.8(8) . . . . ?
B5 C1 C2 B11 -71.1(8) . . . . ?
B3 C1 C2 B11 40.2(5) . . . . ?
B4 C1 C2 B11 0.9(8) . . . . ?
B5 C1 C2 B3 -111.3(7) . . . . ?
B4 C1 C2 B3 -39.4(5) . . . . ?
B12 B7 C2 C1 -63.0(7) . . . . ?
B11 B7 C2 C1 -103.9(6) . . . . ?
B8 B7 C2 C1 -0.9(8) . . . . ?
B12 B7 C2 B11 41.0(4) . . . . ?
B8 B7 C2 B11 103.1(5) . . . . ?
B12 B7 C2 B3 6.2(8) . . . . ?
B11 B7 C2 B3 -34.7(6) . . . . ?
B8 B7 C2 B3 68.3(8) . . . . ?
B10 B11 C2 C1 3.2(7) . . . . ?
B12 B11 C2 C1 66.6(6) . . . . ?
B3 B11 C2 C1 -39.0(5) . . . . ?
B7 B11 C2 C1 107.7(6) . . . . ?
B10 B11 C2 B7 -104.5(5) . . . . ?
B12 B11 C2 B7 -41.1(4) . . . . ?
B3 B11 C2 B7 -146.6(5) . . . . ?
B10 B11 C2 B3 42.2(5) . . . . ?
B12 B11 C2 B3 105.6(5) . . . . ?
B7 B11 C2 B3 146.6(5) . . . . ?
B4 B3 C2 C1 37.1(5) . . . . ?
B11 B3 C2 C1 138.1(5) . . . . ?
B10 B3 C2 C1 97.7(5) . . . . ?
C1 B3 C2 B7 -102.7(7) . . . . ?
B4 B3 C2 B7 -65.6(8) . . . . ?
B11 B3 C2 B7 35.3(6) . . . . ?
B10 B3 C2 B7 -5.1(8) . . . . ?
C1 B3 C2 B11 -138.1(5) . . . . ?
B4 B3 C2 B11 -100.9(6) . . . . ?
B10 B3 C2 B11 -40.4(5) . . . . ?
C17 C13 C14 C15 2.3(6) . . . . ?
C18 C13 C14 C15 177.1(5) . . . . ?
Rh1 C13 C14 C15 -60.7(4) . . . . ?
C17 C13 C14 C19 -174.7(6) . . . . ?
C18 C13 C14 C19 0.0(10) . . . . ?
Rh1 C13 C14 C19 122.3(6) . . . . ?
C17 C13 C14 Rh1 63.0(4) . . . . ?
C18 C13 C14 Rh1 -122.3(6) . . . . ?
C13 C14 C15 C16 -1.0(6) . . . . ?
C19 C14 C15 C16 176.1(6) . . . . ?
Rh1 C14 C15 C16 -63.5(4) . . . . ?
C13 C14 C15 C20 -176.8(6) . . . . ?
C19 C14 C15 C20 0.4(10) . . . . ?
Rh1 C14 C15 C20 120.8(7) . . . . ?
C13 C14 C15 Rh1 62.4(4) . . . . ?
C19 C14 C15 Rh1 -120.4(6) . . . . ?
C14 C15 C16 C17 -0.6(7) . . . . ?
C20 C15 C16 C17 175.3(6) . . . . ?
Rh1 C15 C16 C17 -63.2(4) . . . . ?
C14 C15 C16 C21 -174.5(5) . . . . ?
C20 C15 C16 C21 1.4(10) . . . . ?
Rh1 C15 C16 C21 122.9(6) . . . . ?
C14 C15 C16 Rh1 62.7(4) . . . . ?
C20 C15 C16 Rh1 -121.5(7) . . . . ?
C14 C13 C17 C22 177.8(6) . . . . ?
C18 C13 C17 C22 2.9(10) . . . . ?
Rh1 C13 C17 C22 -121.3(7) . . . . ?
C14 C13 C17 C16 -2.7(6) . . . . ?
C18 C13 C17 C16 -177.5(5) . . . . ?
Rh1 C13 C17 C16 58.3(4) . . . . ?
C14 C13 C17 Rh1 -60.9(4) . . . . ?
C18 C13 C17 Rh1 124.2(5) . . . . ?
C15 C16 C17 C13 2.0(7) . . . . ?
C21 C16 C17 C13 175.8(5) . . . . ?
Rh1 C16 C17 C13 -58.8(4) . . . . ?
C15 C16 C17 C22 -178.5(6) . . . . ?
C21 C16 C17 C22 -4.7(10) . . . . ?
Rh1 C16 C17 C22 120.7(7) . . . . ?
C15 C16 C17 Rh1 60.8(4) . . . . ?
C21 C16 C17 Rh1 -125.4(6) . . . . ?
C28 C23 C24 C25 -0.3(8) . . . . ?
P2 C23 C24 C25 -177.3(4) . . . . ?
C23 C24 C25 C26 1.6(9) . . . . ?
C24 C25 C26 C27 -2.4(10) . . . . ?
C25 C26 C27 C28 1.9(11) . . . . ?
C24 C23 C28 C27 -0.2(9) . . . . ?
P2 C23 C28 C27 176.3(4) . . . . ?
C26 C27 C28 C23 -0.5(10) . . . . ?
C34 C29 C30 C31 2.6(8) . . . . ?
P2 C29 C30 C31 -178.7(4) . . . . ?
C29 C30 C31 C32 -2.7(9) . . . . ?
C30 C31 C32 C33 2.3(11) . . . . ?
C31 C32 C33 C34 -1.8(11) . . . . ?
C30 C29 C34 C33 -2.1(9) . . . . ?
P2 C29 C34 C33 179.2(5) . . . . ?
C32 C33 C34 C29 1.8(10) . . . . ?
C40 C35 C36 C37 -0.7(8) . . . . ?
P2 C35 C36 C37 -178.7(5) . . . . ?
C35 C36 C37 C38 -0.1(10) . . . . ?
C36 C37 C38 C39 1.4(11) . . . . ?
C37 C38 C39 C40 -1.9(10) . . . . ?
C36 C35 C40 C39 0.3(8) . . . . ?
P2 C35 C40 C39 178.2(4) . . . . ?
C38 C39 C40 C35 1.1(9) . . . . ?
C46 C41 C42 C43 -3.1(9) . . . . ?
P1 C41 C42 C43 -179.7(5) . . . . ?
C41 C42 C43 C44 1.0(10) . . . . ?
C42 C43 C44 C45 1.8(11) . . . . ?
C43 C44 C45 C46 -2.6(11) . . . . ?
C42 C41 C46 C45 2.4(9) . . . . ?
P1 C41 C46 C45 178.9(5) . . . . ?
C44 C45 C46 C41 0.4(10) . . . . ?
C52 C47 C48 C49 2.0(9) . . . . ?
P1 C47 C48 C49 174.5(5) . . . . ?
C47 C48 C49 C50 -2.0(11) . . . . ?
C48 C49 C50 C51 0.2(11) . . . . ?
C49 C50 C51 C52 1.5(10) . . . . ?
C48 C47 C52 C51 -0.3(8) . . . . ?
P1 C47 C52 C51 -173.1(5) . . . . ?
C50 C51 C52 C47 -1.4(9) . . . . ?
C58 C53 C54 C55 0.0(10) . . . . ?
P1 C53 C54 C55 175.1(5) . . . . ?
C53 C54 C55 C56 0.0(10) . . . . ?
C54 C55 C56 C57 0.0(11) . . . . ?
C55 C56 C57 C58 0.0(11) . . . . ?
C56 C57 C58 C53 0.0(11) . . . . ?
C54 C53 C58 C57 0.0(10) . . . . ?
P1 C53 C58 C57 -174.7(5) . . . . ?
C52 C47 P1 C41 -140.0(4) . . . . ?
C48 C47 P1 C41 47.7(5) . . . . ?
C52 C47 P1 C53 115.7(5) . . . . ?
C48 C47 P1 C53 -56.6(5) . . . . ?
C52 C47 P1 Rh2 -10.4(5) . . . . ?
C48 C47 P1 Rh2 177.3(4) . . . . ?
C46 C41 P1 C47 20.9(5) . . . . ?
C42 C41 P1 C47 -162.6(4) . . . . ?
C46 C41 P1 C53 120.7(5) . . . . ?
C42 C41 P1 C53 -62.9(5) . . . . ?
C46 C41 P1 Rh2 -106.4(5) . . . . ?
C42 C41 P1 Rh2 70.1(5) . . . . ?
C54 C53 P1 C47 -45.3(5) . . . . ?
C58 C53 P1 C47 129.6(6) . . . . ?
C54 C53 P1 C41 -150.5(5) . . . . ?
C58 C53 P1 C41 24.4(6) . . . . ?
C54 C53 P1 Rh2 77.2(5) . . . . ?
C58 C53 P1 Rh2 -107.9(5) . . . . ?
C28 C23 P2 C29 -92.3(5) . . . . ?
C24 C23 P2 C29 84.4(4) . . . . ?
C28 C23 P2 C35 9.5(5) . . . . ?
C24 C23 P2 C35 -173.8(4) . . . . ?
C28 C23 P2 Rh2 139.7(4) . . . . ?
C24 C23 P2 Rh2 -43.6(4) . . . . ?
C34 C29 P2 C23 -11.7(5) . . . . ?
C30 C29 P2 C23 169.6(4) . . . . ?
C34 C29 P2 C35 -120.8(5) . . . . ?
C30 C29 P2 C35 60.6(4) . . . . ?
C34 C29 P2 Rh2 116.8(4) . . . . ?
C30 C29 P2 Rh2 -61.9(4) . . . . ?
C40 C35 P2 C23 126.3(4) . . . . ?
C36 C35 P2 C23 -55.8(5) . . . . ?
C40 C35 P2 C29 -129.7(4) . . . . ?
C36 C35 P2 C29 48.3(5) . . . . ?
C40 C35 P2 Rh2 -5.6(5) . . . . ?
C36 C35 P2 Rh2 172.3(4) . . . . ?
C16 C15 Rh1 C14 115.7(6) . . . . ?
C20 C15 Rh1 C14 -122.9(8) . . . . ?
C14 C15 Rh1 C16 -115.7(6) . . . . ?
C20 C15 Rh1 C16 121.3(8) . . . . ?
C16 C15 Rh1 C13 78.7(4) . . . . ?
C14 C15 Rh1 C13 -37.0(4) . . . . ?
C20 C15 Rh1 C13 -159.9(7) . . . . ?
C16 C15 Rh1 C17 37.3(4) . . . . ?
C14 C15 Rh1 C17 -78.4(4) . . . . ?
C20 C15 Rh1 C17 158.6(7) . . . . ?
C16 C15 Rh1 S1 159.0(3) . . . . ?
C14 C15 Rh1 S1 43.3(6) . . . . ?
C20 C15 Rh1 S1 -79.7(7) . . . . ?
C16 C15 Rh1 S2 -97.7(4) . . . . ?
C14 C15 Rh1 S2 146.6(4) . . . . ?
C20 C15 Rh1 S2 23.6(7) . . . . ?
C16 C15 Rh1 Rh2 -66.9(8) . . . . ?
C14 C15 Rh1 Rh2 177.4(4) . . . . ?
C20 C15 Rh1 Rh2 54.5(10) . . . . ?
C13 C14 Rh1 C15 -117.5(6) . . . . ?
C19 C14 Rh1 C15 117.4(8) . . . . ?
C13 C14 Rh1 C16 -79.1(4) . . . . ?
C15 C14 Rh1 C16 38.4(4) . . . . ?
C19 C14 Rh1 C16 155.8(7) . . . . ?
C15 C14 Rh1 C13 117.5(6) . . . . ?
C19 C14 Rh1 C13 -125.1(8) . . . . ?
C13 C14 Rh1 C17 -36.6(4) . . . . ?
C15 C14 Rh1 C17 81.0(4) . . . . ?
C19 C14 Rh1 C17 -161.7(7) . . . . ?
C13 C14 Rh1 S1 89.2(3) . . . . ?
C15 C14 Rh1 S1 -153.3(4) . . . . ?
C19 C14 Rh1 S1 -35.9(7) . . . . ?
C13 C14 Rh1 S2 -167.7(3) . . . . ?
C15 C14 Rh1 S2 -50.1(5) . . . . ?
C19 C14 Rh1 S2 67.2(7) . . . . ?
C13 C14 Rh1 Rh2 65.6(7) . . . . ?
C15 C14 Rh1 Rh2 -176.9(5) . . . . ?
C19 C14 Rh1 Rh2 -59.5(10) . . . . ?
C17 C16 Rh1 C15 117.9(6) . . . . ?
C21 C16 Rh1 C15 -118.8(9) . . . . ?
C15 C16 Rh1 C14 -39.6(4) . . . . ?
C17 C16 Rh1 C14 78.2(4) . . . . ?
C21 C16 Rh1 C14 -158.4(8) . . . . ?
C15 C16 Rh1 C13 -81.9(4) . . . . ?
C17 C16 Rh1 C13 36.0(4) . . . . ?
C21 C16 Rh1 C13 159.3(8) . . . . ?
C15 C16 Rh1 C17 -117.9(6) . . . . ?
C21 C16 Rh1 C17 123.4(9) . . . . ?
C15 C16 Rh1 S1 -98.5(10) . . . . ?
C17 C16 Rh1 S1 19.4(11) . . . . ?
C21 C16 Rh1 S1 142.7(7) . . . . ?
C15 C16 Rh1 S2 94.1(4) . . . . ?
C17 C16 Rh1 S2 -148.0(3) . . . . ?
C21 C16 Rh1 S2 -24.6(8) . . . . ?
C15 C16 Rh1 Rh2 153.8(3) . . . . ?
C17 C16 Rh1 Rh2 -88.3(4) . . . . ?
C21 C16 Rh1 Rh2 35.0(9) . . . . ?
C14 C13 Rh1 C15 38.8(4) . . . . ?
C17 C13 Rh1 C15 -79.7(4) . . . . ?
C18 C13 Rh1 C15 159.8(7) . . . . ?
C17 C13 Rh1 C14 -118.5(5) . . . . ?
C18 C13 Rh1 C14 121.0(8) . . . . ?
C14 C13 Rh1 C16 81.8(4) . . . . ?
C17 C13 Rh1 C16 -36.7(4) . . . . ?
C18 C13 Rh1 C16 -157.2(7) . . . . ?
C14 C13 Rh1 C17 118.5(5) . . . . ?
C18 C13 Rh1 C17 -120.5(8) . . . . ?
C14 C13 Rh1 S1 -102.0(3) . . . . ?
C17 C13 Rh1 S1 139.5(4) . . . . ?
C18 C13 Rh1 S1 19.0(6) . . . . ?
C14 C13 Rh1 S2 59.2(11) . . . . ?
C17 C13 Rh1 S2 -59.4(12) . . . . ?
C18 C13 Rh1 S2 -180(23) . . . . ?
C14 C13 Rh1 Rh2 -157.6(3) . . . . ?
C17 C13 Rh1 Rh2 83.9(4) . . . . ?
C18 C13 Rh1 Rh2 -36.6(7) . . . . ?
C13 C17 Rh1 C15 81.8(4) . . . . ?
C22 C17 Rh1 C15 -157.0(8) . . . . ?
C16 C17 Rh1 C15 -37.8(4) . . . . ?
C13 C17 Rh1 C14 37.2(4) . . . . ?
C22 C17 Rh1 C14 158.4(8) . . . . ?
C16 C17 Rh1 C14 -82.4(4) . . . . ?
C13 C17 Rh1 C16 119.6(6) . . . . ?
C22 C17 Rh1 C16 -119.3(9) . . . . ?
C22 C17 Rh1 C13 121.2(9) . . . . ?
C16 C17 Rh1 C13 -119.6(6) . . . . ?
C13 C17 Rh1 S1 -54.9(5) . . . . ?
C22 C17 Rh1 S1 66.3(8) . . . . ?
C16 C17 Rh1 S1 -174.4(3) . . . . ?
C13 C17 Rh1 S2 167.5(3) . . . . ?
C22 C17 Rh1 S2 -71.3(8) . . . . ?
C16 C17 Rh1 S2 47.9(5) . . . . ?
C13 C17 Rh1 Rh2 -122.5(3) . . . . ?
C22 C17 Rh1 Rh2 -1.3(8) . . . . ?
C16 C17 Rh1 Rh2 117.9(3) . . . . ?
C23 P2 Rh2 P1 -66.09(19) . . . . ?
C29 P2 Rh2 P1 173.84(19) . . . . ?
C35 P2 Rh2 P1 60.55(17) . . . . ?
C23 P2 Rh2 S1 120.2(4) . . . . ?
C29 P2 Rh2 S1 0.1(4) . . . . ?
C35 P2 Rh2 S1 -113.2(4) . . . . ?
C23 P2 Rh2 S2 103.86(19) . . . . ?
C29 P2 Rh2 S2 -16.2(2) . . . . ?
C35 P2 Rh2 S2 -129.49(17) . . . . ?
C23 P2 Rh2 Rh1 59.86(19) . . . . ?
C29 P2 Rh2 Rh1 -60.2(2) . . . . ?
C35 P2 Rh2 Rh1 -173.50(16) . . . . ?
C47 P1 Rh2 P2 -105.73(19) . . . . ?
C41 P1 Rh2 P2 16.2(2) . . . . ?
C53 P1 Rh2 P2 141.1(2) . . . . ?
C47 P1 Rh2 S1 73.35(19) . . . . ?
C41 P1 Rh2 S1 -164.8(2) . . . . ?
C53 P1 Rh2 S1 -39.8(2) . . . . ?
C47 P1 Rh2 S2 125.5(3) . . . . ?
C41 P1 Rh2 S2 -112.6(3) . . . . ?
C53 P1 Rh2 S2 12.4(3) . . . . ?
C47 P1 Rh2 Rh1 122.31(19) . . . . ?
C41 P1 Rh2 Rh1 -115.8(2) . . . . ?
C53 P1 Rh2 Rh1 9.2(2) . . . . ?
C15 Rh1 Rh2 P2 23.7(6) . . . . ?
C14 Rh1 Rh2 P2 -161.7(6) . . . . ?
C16 Rh1 Rh2 P2 -24.3(3) . . . . ?
C13 Rh1 Rh2 P2 -112.7(2) . . . . ?
C17 Rh1 Rh2 P2 -69.1(2) . . . . ?
S1 Rh1 Rh2 P2 170.85(6) . . . . ?
S2 Rh1 Rh2 P2 60.21(6) . . . . ?
C15 Rh1 Rh2 P1 142.6(6) . . . . ?
C14 Rh1 Rh2 P1 -42.8(6) . . . . ?
C16 Rh1 Rh2 P1 94.7(3) . . . . ?
C13 Rh1 Rh2 P1 6.2(2) . . . . ?
C17 Rh1 Rh2 P1 49.8(2) . . . . ?
S1 Rh1 Rh2 P1 -70.24(5) . . . . ?
S2 Rh1 Rh2 P1 179.11(6) . . . . ?
C15 Rh1 Rh2 S1 -147.2(6) . . . . ?
C14 Rh1 Rh2 S1 27.5(6) . . . . ?
C16 Rh1 Rh2 S1 164.9(3) . . . . ?
C13 Rh1 Rh2 S1 76.5(2) . . . . ?
C17 Rh1 Rh2 S1 120.0(2) . . . . ?
S2 Rh1 Rh2 S1 -110.64(6) . . . . ?
C15 Rh1 Rh2 S2 -36.5(6) . . . . ?
C14 Rh1 Rh2 S2 138.1(6) . . . . ?
C16 Rh1 Rh2 S2 -84.5(3) . . . . ?
C13 Rh1 Rh2 S2 -172.9(2) . . . . ?
C17 Rh1 Rh2 S2 -129.3(2) . . . . ?
S1 Rh1 Rh2 S2 110.64(6) . . . . ?
B4 B9 S1 Rh1 -108.8(6) . . . . ?
B5 B9 S1 Rh1 168.8(5) . . . . ?
B10 B9 S1 Rh1 -36.8(4) . . . . ?
B12 B9 S1 Rh1 30.5(4) . . . . ?
B8 B9 S1 Rh1 96.3(4) . . . . ?
B4 B9 S1 Rh2 179.4(6) . . . . ?
B5 B9 S1 Rh2 97.0(5) . . . . ?
B10 B9 S1 Rh2 -108.7(4) . . . . ?
B12 B9 S1 Rh2 -41.3(4) . . . . ?
B8 B9 S1 Rh2 24.4(4) . . . . ?
C15 Rh1 S1 B9 71.0(4) . . . . ?
C14 Rh1 S1 B9 98.5(3) . . . . ?
C16 Rh1 S1 B9 153.1(9) . . . . ?
C13 Rh1 S1 B9 137.8(3) . . . . ?
C17 Rh1 S1 B9 168.4(3) . . . . ?
S2 Rh1 S1 B9 -39.1(2) . . . . ?
Rh2 Rh1 S1 B9 -90.12(19) . . . . ?
C15 Rh1 S1 Rh2 161.2(3) . . . . ?
C14 Rh1 S1 Rh2 -171.4(2) . . . . ?
C16 Rh1 S1 Rh2 -116.8(8) . . . . ?
C13 Rh1 S1 Rh2 -132.12(18) . . . . ?
C17 Rh1 S1 Rh2 -101.5(2) . . . . ?
S2 Rh1 S1 Rh2 51.07(4) . . . . ?
P2 Rh2 S1 B9 39.0(4) . . . . ?
P1 Rh2 S1 B9 -134.8(2) . . . . ?
S2 Rh2 S1 B9 55.5(2) . . . . ?
Rh1 Rh2 S1 B9 104.6(2) . . . . ?
P2 Rh2 S1 Rh1 -65.5(3) . . . . ?
P1 Rh2 S1 Rh1 120.64(4) . . . . ?
S2 Rh2 S1 Rh1 -49.09(4) . . . . ?
B11 B12 S2 Rh1 108.3(5) . . . . ?
B7 B12 S2 Rh1 -168.7(5) . . . . ?
B9 B12 S2 Rh1 -28.8(4) . . . . ?
B10 B12 S2 Rh1 36.5(4) . . . . ?
B8 B12 S2 Rh1 -95.6(4) . . . . ?
B11 B12 S2 Rh2 179.7(5) . . . . ?
B7 B12 S2 Rh2 -97.2(5) . . . . ?
B9 B12 S2 Rh2 42.6(4) . . . . ?
B10 B12 S2 Rh2 107.9(4) . . . . ?
B8 B12 S2 Rh2 -24.2(4) . . . . ?
C15 Rh1 S2 B12 -103.8(3) . . . . ?
C14 Rh1 S2 B12 -73.1(3) . . . . ?
C16 Rh1 S2 B12 -144.1(3) . . . . ?
C13 Rh1 S2 B12 -122.9(10) . . . . ?
C17 Rh1 S2 B12 -172.7(3) . . . . ?
S1 Rh1 S2 B12 38.8(2) . . . . ?
Rh2 Rh1 S2 B12 89.5(2) . . . . ?
C15 Rh1 S2 Rh2 166.7(2) . . . . ?
C14 Rh1 S2 Rh2 -162.6(2) . . . . ?
C16 Rh1 S2 Rh2 126.5(2) . . . . ?
C13 Rh1 S2 Rh2 147.6(10) . . . . ?
C17 Rh1 S2 Rh2 97.8(3) . . . . ?
S1 Rh1 S2 Rh2 -50.70(4) . . . . ?
P2 Rh2 S2 B12 121.3(2) . . . . ?
P1 Rh2 S2 B12 -109.1(3) . . . . ?
S1 Rh2 S2 B12 -56.3(2) . . . . ?
Rh1 Rh2 S2 B12 -105.5(2) . . . . ?
P2 Rh2 S2 Rh1 -133.21(4) . . . . ?
P1 Rh2 S2 Rh1 -3.6(2) . . . . ?
S1 Rh2 S2 Rh1 49.16(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.634
_refine_diff_density_min         -0.819
_refine_diff_density_rms         0.106
_database_code_depnum_ccdc_archive 'CCDC 996717'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_20121227d

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C31 H40 B9 O2 P Rh2 S2'
_chemical_formula_weight         842.83

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'
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'
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                   10.4299(18)
_cell_length_b                   15.6029(16)
_cell_length_c                   22.3267(17)
_cell_angle_alpha                90.00
_cell_angle_beta                 101.465(2)
_cell_angle_gamma                90.00
_cell_volume                     3560.9(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    291(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.572
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1696
_exptl_absorpt_coefficient_mu    1.119
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.8591
_exptl_absorpt_correction_T_max  0.8774
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      291(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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            27622
_diffrn_reflns_av_R_equivalents  0.0114
_diffrn_reflns_av_sigmaI/netI    0.0513
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.60
_diffrn_reflns_theta_max         26.00
_reflns_number_total             6953
_reflns_number_gt                5651
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0810P)²+0.0000P] 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         6953
_refine_ls_number_parameters     429
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0559
_refine_ls_R_factor_gt           0.0537
_refine_ls_wR_factor_ref         0.1348
_refine_ls_wR_factor_gt          0.1343
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_restrained_S_all      1.070
_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
B3 B 0.0381(8) 0.4987(6) 0.2092(3) 0.080(2) Uani 1 1 d . . .
H3 H 0.0262 0.5532 0.1773 0.096 Uiso 1 1 calc R . .
B11 B 0.0874(7) 0.3951(5) 0.1873(3) 0.0687(19) Uani 1 1 d . . .
H11 H 0.1124 0.3832 0.1424 0.082 Uiso 1 1 calc R . .
B7 B -0.0006(6) 0.3204(5) 0.2231(3) 0.0677(19) Uani 1 1 d . . .
H7 H -0.0638 0.2649 0.2079 0.081 Uiso 1 1 calc R . .
B5 B 0.0056(6) 0.4361(5) 0.3241(3) 0.0643(18) Uani 1 1 d . . .
H5 H -0.0547 0.4377 0.3593 0.077 Uiso 1 1 calc R . .
B8 B 0.0549(6) 0.3303(4) 0.3048(3) 0.0554(15) Uani 1 1 d . . .
H8 H -0.0804 0.3296 0.2680 0.066 Uiso 1 1 d R . .
O1 O 0.0419(5) 0.2515(3) 0.3340(2) 0.0788(13) Uani 1 1 d . . .
H1A H 0.0977 0.2482 0.3655 0.118 Uiso 1 1 calc R . .
B12 B 0.1630(5) 0.3429(4) 0.2555(3) 0.0517(14) Uani 1 1 d . . .
B10 B 0.1931(6) 0.4570(4) 0.2456(3) 0.0544(15) Uani 1 1 d . . .
H10 H 0.2866 0.4837 0.2386 0.065 Uiso 1 1 calc R . .
B4 B 0.0951(6) 0.5114(5) 0.2890(3) 0.0602(16) Uani 1 1 d . . .
H4 H 0.1251 0.5742 0.3095 0.072 Uiso 1 1 calc R . .
B9 B 0.1696(5) 0.4148(4) 0.3171(2) 0.0448(12) Uani 1 1 d . . .
C1 C -0.0618(5) 0.4126(5) 0.2055(3) 0.086(2) Uani 1 1 d . . .
H1 H -0.1648 0.4002 0.1846 0.103 Uiso 1 1 d R . .
C2 C -0.0599(5) 0.4756(4) 0.2599(3) 0.0752(18) Uani 1 1 d . . .
H2 H -0.1609 0.4922 0.2631 0.090 Uiso 1 1 d R . .
C13 C 0.6097(5) 0.3728(3) 0.2690(2) 0.0535(12) Uani 1 1 d . . .
C14 C 0.6533(5) 0.2967(3) 0.3024(2) 0.0511(12) Uani 1 1 d . . .
C15 C 0.6822(4) 0.3188(3) 0.3655(2) 0.0473(11) Uani 1 1 d . . .
C16 C 0.6555(4) 0.4072(3) 0.3721(2) 0.0427(10) Uani 1 1 d . . .
C17 C 0.6106(4) 0.4412(3) 0.3125(2) 0.0445(11) Uani 1 1 d . . .
C18 C 0.5681(6) 0.3821(5) 0.2020(3) 0.0793(19) Uani 1 1 d . . .
H18D H 0.5651 0.3266 0.1832 0.119 Uiso 1 1 calc R . .
H18E H 0.6295 0.4177 0.1867 0.119 Uiso 1 1 calc R . .
H18F H 0.4829 0.4078 0.1926 0.119 Uiso 1 1 calc R . .
C19 C 0.6707(6) 0.2122(4) 0.2752(3) 0.0824(19) Uani 1 1 d . . .
H19A H 0.7605 0.2053 0.2719 0.124 Uiso 1 1 calc R . .
H19B H 0.6158 0.2086 0.2354 0.124 Uiso 1 1 calc R . .
H19C H 0.6471 0.1678 0.3008 0.124 Uiso 1 1 calc R . .
C20 C 0.7362(7) 0.2570(4) 0.4148(3) 0.0778(19) Uani 1 1 d . . .
H20A H 0.8277 0.2484 0.4157 0.117 Uiso 1 1 calc R . .
H20B H 0.6910 0.2033 0.4072 0.117 Uiso 1 1 calc R . .
H20C H 0.7248 0.2793 0.4535 0.117 Uiso 1 1 calc R . .
C21 C 0.6775(6) 0.4600(4) 0.4309(3) 0.0680(16) Uani 1 1 d . . .
H21A H 0.6859 0.4223 0.4654 0.102 Uiso 1 1 calc R . .
H21B H 0.6044 0.4977 0.4302 0.102 Uiso 1 1 calc R . .
H21C H 0.7559 0.4933 0.4340 0.102 Uiso 1 1 calc R . .
C22 C 0.5784(6) 0.5335(3) 0.2984(3) 0.0633(15) Uani 1 1 d . . .
H22A H 0.5364 0.5570 0.3293 0.095 Uiso 1 1 calc R . .
H22B H 0.5208 0.5379 0.2593 0.095 Uiso 1 1 calc R . .
H22C H 0.6575 0.5647 0.2978 0.095 Uiso 1 1 calc R . .
C23 C 0.4790(5) 0.2452(3) 0.5221(2) 0.0428(11) Uani 1 1 d . . .
C24 C 0.5765(5) 0.1845(3) 0.5321(2) 0.0537(13) Uani 1 1 d . . .
H24 H 0.5626 0.1303 0.5147 0.064 Uiso 1 1 calc R . .
C25 C 0.6979(5) 0.2060(5) 0.5694(3) 0.0669(16) Uani 1 1 d . . .
H25 H 0.7628 0.1644 0.5785 0.080 Uiso 1 1 calc R . .
C26 C 0.7213(6) 0.2850(5) 0.5920(2) 0.0662(16) Uani 1 1 d . . .
H26 H 0.8020 0.2979 0.6165 0.079 Uiso 1 1 calc R . .
C27 C 0.6299(6) 0.3455(4) 0.5796(3) 0.0684(16) Uani 1 1 d . . .
H27 H 0.6490 0.4007 0.5945 0.082 Uiso 1 1 calc R . .
C28 C 0.5064(5) 0.3282(3) 0.5449(3) 0.0579(14) Uani 1 1 d . . .
H28 H 0.4431 0.3710 0.5369 0.069 Uiso 1 1 calc R . .
C29 C 0.2764(4) 0.1157(3) 0.4950(2) 0.0404(10) Uani 1 1 d . . .
C30 C 0.3214(5) 0.0782(4) 0.5494(2) 0.0560(13) Uani 1 1 d . . .
H30 H 0.3851 0.1064 0.5775 0.067 Uiso 1 1 calc R . .
C31 C 0.2768(6) -0.0007(4) 0.5653(3) 0.0686(16) Uani 1 1 d . . .
H31 H 0.3100 -0.0256 0.6031 0.082 Uiso 1 1 calc R . .
C32 C 0.1815(6) -0.0408(4) 0.5230(3) 0.0706(16) Uani 1 1 d . . .
H32 H 0.1497 -0.0936 0.5329 0.085 Uiso 1 1 calc R . .
C33 C 0.1328(5) -0.0066(3) 0.4681(3) 0.0599(14) Uani 1 1 d . . .
H33 H 0.0703 -0.0357 0.4398 0.072 Uiso 1 1 calc R . .
C34 C 0.1788(5) 0.0742(3) 0.4544(2) 0.0511(12) Uani 1 1 d . . .
H34 H 0.1429 0.1003 0.4174 0.061 Uiso 1 1 calc R . .
C35 C 0.2096(4) 0.2878(3) 0.5122(2) 0.0407(10) Uani 1 1 d . . .
C36 C 0.2171(6) 0.2814(3) 0.5751(2) 0.0567(13) Uani 1 1 d . . .
H36 H 0.2805 0.2470 0.5987 0.068 Uiso 1 1 calc R . .
C37 C 0.1292(7) 0.3266(4) 0.6019(3) 0.0692(17) Uani 1 1 d . . .
H37 H 0.1349 0.3236 0.6439 0.083 Uiso 1 1 calc R . .
C38 C 0.0366(6) 0.3746(4) 0.5680(3) 0.0683(16) Uani 1 1 d . . .
H38 H -0.0227 0.4039 0.5865 0.082 Uiso 1 1 calc R . .
C39 C 0.0278(5) 0.3811(4) 0.5071(3) 0.0660(15) Uani 1 1 d . . .
H39 H -0.0368 0.4154 0.4842 0.079 Uiso 1 1 calc R . .
C40 C 0.1142(5) 0.3372(3) 0.4782(2) 0.0545(13) Uani 1 1 d . . .
H40 H 0.1072 0.3415 0.4361 0.065 Uiso 1 1 calc R . .
C41 C 0.3580(6) 0.1332(3) 0.3655(2) 0.0580(14) Uani 1 1 d . . .
O2 O 0.4034(5) 0.0679(3) 0.3615(2) 0.0849(13) Uani 1 1 d . . .
P1 P 0.31774(11) 0.22416(7) 0.47495(5) 0.0361(3) Uani 1 1 d . . .
Rh1 Rh 0.47640(3) 0.34451(2) 0.328177(15) 0.03651(13) Uani 1 1 d . . .
Rh2 Rh 0.30485(3) 0.24349(2) 0.372304(14) 0.03502(12) Uani 1 1 d . . .
S1 S 0.30799(12) 0.26907(8) 0.26606(5) 0.0429(3) Uani 1 1 d . . .
S2 S 0.31815(10) 0.39833(7) 0.37945(5) 0.0383(3) 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
B3 C1 1.693(11) . ?
B3 C2 1.708(11) . ?
B3 B4 1.774(9) . ?
B3 B10 1.782(9) . ?
B3 B11 1.792(11) . ?
B3 H3 1.1000 . ?
B11 C1 1.707(9) . ?
B11 B12 1.769(8) . ?
B11 B7 1.770(11) . ?
B11 B10 1.808(10) . ?
B11 H11 1.1000 . ?
B7 C1 1.591(10) . ?
B7 B12 1.751(8) . ?
B7 B8 1.807(9) . ?
B7 H7 1.1000 . ?
B7 H8 1.4333 . ?
B5 C2 1.585(9) . ?
B5 B4 1.777(11) . ?
B5 B9 1.780(8) . ?
B5 B8 1.808(9) . ?
B5 H5 1.1000 . ?
B8 O1 1.411(7) . ?
B8 B12 1.735(8) . ?
B8 B9 1.765(8) . ?
B8 H8 1.4848 . ?
O1 H1A 0.8200 . ?
B12 B9 1.763(8) . ?
B12 B10 1.828(9) . ?
B12 S1 1.879(6) . ?
B10 B4 1.761(8) . ?
B10 B9 1.788(8) . ?
B10 H10 1.1000 . ?
B4 C2 1.711(9) . ?
B4 B9 1.754(8) . ?
B4 H4 1.1000 . ?
B9 S2 1.884(5) . ?
C1 C2 1.561(8) . ?
C1 H1 1.1000 . ?
C2 H2 1.1000 . ?
C13 C14 1.428(7) . ?
C13 C17 1.440(7) . ?
C13 C18 1.480(7) . ?
C13 Rh1 2.145(5) . ?
C14 C15 1.422(7) . ?
C14 C19 1.479(8) . ?
C14 Rh1 2.170(5) . ?
C15 C16 1.421(7) . ?
C15 C20 1.489(7) . ?
C15 Rh1 2.180(4) . ?
C16 C17 1.422(6) . ?
C16 C21 1.528(7) . ?
C16 Rh1 2.163(4) . ?
C17 C22 1.497(6) . ?
C17 Rh1 2.134(4) . ?
C18 H18D 0.9600 . ?
C18 H18E 0.9600 . ?
C18 H18F 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C24 1.375(7) . ?
C23 C28 1.400(6) . ?
C23 P1 1.828(5) . ?
C24 C25 1.411(7) . ?
C24 H24 0.9300 . ?
C25 C26 1.336(9) . ?
C25 H25 0.9300 . ?
C26 C27 1.331(9) . ?
C26 H26 0.9300 . ?
C27 C28 1.392(7) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 C30 1.345(7) . ?
C29 C34 1.382(6) . ?
C29 P1 1.824(5) . ?
C30 C31 1.387(8) . ?
C30 H30 0.9300 . ?
C31 C32 1.378(8) . ?
C31 H31 0.9300 . ?
C32 C33 1.342(8) . ?
C32 H32 0.9300 . ?
C33 C34 1.405(7) . ?
C33 H33 0.9300 . ?
C34 H34 0.9300 . ?
C35 C40 1.364(6) . ?
C35 C36 1.393(6) . ?
C35 P1 1.823(4) . ?
C36 C37 1.385(7) . ?
C36 H36 0.9300 . ?
C37 C38 1.333(8) . ?
C37 H37 0.9300 . ?
C38 C39 1.348(8) . ?
C38 H38 0.9300 . ?
C39 C40 1.389(7) . ?
C39 H39 0.9300 . ?
C40 H40 0.9300 . ?
C41 O2 1.135(6) . ?
C41 Rh2 1.823(5) . ?
P1 Rh2 2.2887(11) . ?
Rh1 S1 2.3293(12) . ?
Rh1 S2 2.3434(11) . ?
Rh1 Rh2 2.7124(5) . ?
Rh2 S1 2.4121(11) . ?
Rh2 S2 2.4233(12) . ?

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
C1 B3 C2 54.6(4) . . ?
C1 B3 B4 102.5(6) . . ?
C2 B3 B4 58.8(4) . . ?
C1 B3 B10 103.1(5) . . ?
C2 B3 B10 103.2(5) . . ?
B4 B3 B10 59.3(3) . . ?
C1 B3 B11 58.6(4) . . ?
C2 B3 B11 103.5(6) . . ?
B4 B3 B11 108.5(5) . . ?
B10 B3 B11 60.8(4) . . ?
C1 B3 H3 126.4 . . ?
C2 B3 H3 125.9 . . ?
B4 B3 H3 122.4 . . ?
B10 B3 H3 123.6 . . ?
B11 B3 H3 121.5 . . ?
C1 B11 B12 98.0(5) . . ?
C1 B11 B7 54.4(4) . . ?
B12 B11 B7 59.3(4) . . ?
C1 B11 B3 57.8(4) . . ?
B12 B11 B3 106.5(5) . . ?
B7 B11 B3 105.6(5) . . ?
C1 B11 B10 101.4(5) . . ?
B12 B11 B10 61.5(3) . . ?
B7 B11 B10 108.9(4) . . ?
B3 B11 B10 59.3(4) . . ?
C1 B11 H11 129.5 . . ?
B12 B11 H11 124.1 . . ?
B7 B11 H11 122.5 . . ?
B3 B11 H11 122.3 . . ?
B10 B11 H11 121.7 . . ?
C1 B7 B12 103.3(5) . . ?
C1 B7 B11 60.8(4) . . ?
B12 B7 B11 60.3(4) . . ?
C1 B7 B8 101.7(5) . . ?
B12 B7 B8 58.3(3) . . ?
B11 B7 B8 108.0(4) . . ?
C1 B7 H7 116.6 . . ?
B12 B7 H7 139.5 . . ?
B11 B7 H7 135.4 . . ?
B8 B7 H7 115.5 . . ?
C1 B7 H8 79.6 . . ?
B12 B7 H8 110.1 . . ?
B11 B7 H8 132.4 . . ?
B8 B7 H8 53.0 . . ?
H7 B7 H8 84.2 . . ?
C2 B5 B4 60.9(4) . . ?
C2 B5 B9 104.0(5) . . ?
B4 B5 B9 59.1(3) . . ?
C2 B5 B8 103.3(5) . . ?
B4 B5 B8 107.4(4) . . ?
B9 B5 B8 58.9(3) . . ?
C2 B5 H5 115.7 . . ?
B4 B5 H5 136.6 . . ?
B9 B5 H5 139.8 . . ?
B8 B5 H5 114.9 . . ?
O1 B8 B12 121.8(5) . . ?
O1 B8 B9 134.7(5) . . ?
B12 B8 B9 60.5(3) . . ?
O1 B8 B7 110.6(5) . . ?
B12 B8 B7 59.2(4) . . ?
B9 B8 B7 107.0(5) . . ?
O1 B8 B5 128.9(5) . . ?
B12 B8 B5 107.4(5) . . ?
B9 B8 B5 59.8(3) . . ?
B7 B8 B5 105.7(5) . . ?
O1 B8 H8 94.7 . . ?
B12 B8 H8 108.5 . . ?
B9 B8 H8 129.1 . . ?
B7 B8 H8 50.5 . . ?
B5 B8 H8 81.6 . . ?
B8 O1 H1A 109.5 . . ?
B8 B12 B7 62.4(4) . . ?
B8 B12 B9 60.6(3) . . ?
B7 B12 B9 109.5(4) . . ?
B8 B12 B11 111.3(5) . . ?
B7 B12 B11 60.4(4) . . ?
B9 B12 B11 108.7(5) . . ?
B8 B12 B10 109.7(4) . . ?
B7 B12 B10 108.8(5) . . ?
B9 B12 B10 59.7(3) . . ?
B11 B12 B10 60.3(4) . . ?
B8 B12 S1 117.3(4) . . ?
B7 B12 S1 128.5(4) . . ?
B9 B12 S1 112.7(3) . . ?
B11 B12 S1 126.9(4) . . ?
B10 B12 S1 117.3(4) . . ?
B4 B10 B3 60.1(4) . . ?
B4 B10 B9 59.2(3) . . ?
B3 B10 B9 105.6(5) . . ?
B4 B10 B11 108.4(5) . . ?
B3 B10 B11 59.9(4) . . ?
B9 B10 B11 105.9(5) . . ?
B4 B10 B12 105.6(5) . . ?
B3 B10 B12 104.4(5) . . ?
B9 B10 B12 58.4(3) . . ?
B11 B10 B12 58.2(4) . . ?
B4 B10 H10 121.6 . . ?
B3 B10 H10 123.1 . . ?
B9 B10 H10 123.4 . . ?
B11 B10 H10 122.0 . . ?
B12 B10 H10 124.4 . . ?
C2 B4 B9 100.0(5) . . ?
C2 B4 B10 104.0(5) . . ?
B9 B4 B10 61.2(3) . . ?
C2 B4 B3 58.7(4) . . ?
B9 B4 B3 107.4(5) . . ?
B10 B4 B3 60.6(4) . . ?
C2 B4 B5 54.0(4) . . ?
B9 B4 B5 60.6(4) . . ?
B10 B4 B5 109.8(5) . . ?
B3 B4 B5 105.6(5) . . ?
C2 B4 H4 128.1 . . ?
B9 B4 H4 123.2 . . ?
B10 B4 H4 120.6 . . ?
B3 B4 H4 121.8 . . ?
B5 B4 H4 122.5 . . ?
B4 B9 B12 108.8(4) . . ?
B4 B9 B8 110.4(4) . . ?
B12 B9 B8 58.9(3) . . ?
B4 B9 B5 60.4(4) . . ?
B12 B9 B5 107.4(4) . . ?
B8 B9 B5 61.3(4) . . ?
B4 B9 B10 59.6(3) . . ?
B12 B9 B10 62.0(3) . . ?
B8 B9 B10 110.2(4) . . ?
B5 B9 B10 108.4(4) . . ?
B4 B9 S2 128.5(4) . . ?
B12 B9 S2 112.9(4) . . ?
B8 B9 S2 116.5(4) . . ?
B5 B9 S2 128.6(4) . . ?
B10 B9 S2 118.1(4) . . ?
C2 C1 B7 115.9(5) . . ?
C2 C1 B3 63.2(5) . . ?
B7 C1 B3 119.5(5) . . ?
C2 C1 B11 114.5(5) . . ?
B7 C1 B11 64.8(4) . . ?
B3 C1 B11 63.6(4) . . ?
C2 C1 H1 107.6 . . ?
B7 C1 H1 104.9 . . ?
B3 C1 H1 134.4 . . ?
B11 C1 H1 136.9 . . ?
C1 C2 B5 113.3(5) . . ?
C1 C2 B3 62.2(4) . . ?
B5 C2 B3 118.4(5) . . ?
C1 C2 B4 111.5(5) . . ?
B5 C2 B4 65.1(4) . . ?
B3 C2 B4 62.5(4) . . ?
C1 C2 H2 109.5 . . ?
B5 C2 H2 106.2 . . ?
B3 C2 H2 134.4 . . ?
B4 C2 H2 138.0 . . ?
C14 C13 C17 107.8(4) . . ?
C14 C13 C18 127.4(5) . . ?
C17 C13 C18 124.8(5) . . ?
C14 C13 Rh1 71.6(3) . . ?
C17 C13 Rh1 69.9(3) . . ?
C18 C13 Rh1 123.2(4) . . ?
C15 C14 C13 107.4(4) . . ?
C15 C14 C19 127.1(5) . . ?
C13 C14 C19 125.5(5) . . ?
C15 C14 Rh1 71.3(3) . . ?
C13 C14 Rh1 69.7(3) . . ?
C19 C14 Rh1 126.5(4) . . ?
C16 C15 C14 109.3(4) . . ?
C16 C15 C20 127.3(5) . . ?
C14 C15 C20 123.4(5) . . ?
C16 C15 Rh1 70.3(2) . . ?
C14 C15 Rh1 70.6(3) . . ?
C20 C15 Rh1 127.0(4) . . ?
C15 C16 C17 107.5(4) . . ?
C15 C16 C21 127.8(5) . . ?
C17 C16 C21 124.6(5) . . ?
C15 C16 Rh1 71.5(3) . . ?
C17 C16 Rh1 69.6(2) . . ?
C21 C16 Rh1 127.0(3) . . ?
C16 C17 C13 108.1(4) . . ?
C16 C17 C22 124.9(5) . . ?
C13 C17 C22 126.9(4) . . ?
C16 C17 Rh1 71.8(2) . . ?
C13 C17 Rh1 70.7(3) . . ?
C22 C17 Rh1 125.9(4) . . ?
C13 C18 H18D 109.5 . . ?
C13 C18 H18E 109.5 . . ?
H18D C18 H18E 109.5 . . ?
C13 C18 H18F 109.5 . . ?
H18D C18 H18F 109.5 . . ?
H18E C18 H18F 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 C28 119.2(5) . . ?
C24 C23 P1 122.4(4) . . ?
C28 C23 P1 118.2(4) . . ?
C23 C24 C25 118.7(5) . . ?
C23 C24 H24 120.6 . . ?
C25 C24 H24 120.6 . . ?
C26 C25 C24 121.1(5) . . ?
C26 C25 H25 119.5 . . ?
C24 C25 H25 119.5 . . ?
C27 C26 C25 120.5(6) . . ?
C27 C26 H26 119.8 . . ?
C25 C26 H26 119.8 . . ?
C26 C27 C28 121.5(6) . . ?
C26 C27 H27 119.2 . . ?
C28 C27 H27 119.2 . . ?
C27 C28 C23 118.8(5) . . ?
C27 C28 H28 120.6 . . ?
C23 C28 H28 120.6 . . ?
C30 C29 C34 117.8(4) . . ?
C30 C29 P1 124.6(4) . . ?
C34 C29 P1 116.9(4) . . ?
C29 C30 C31 122.9(5) . . ?
C29 C30 H30 118.6 . . ?
C31 C30 H30 118.6 . . ?
C32 C31 C30 117.4(5) . . ?
C32 C31 H31 121.3 . . ?
C30 C31 H31 121.3 . . ?
C33 C32 C31 122.4(5) . . ?
C33 C32 H32 118.8 . . ?
C31 C32 H32 118.8 . . ?
C32 C33 C34 118.1(5) . . ?
C32 C33 H33 120.9 . . ?
C34 C33 H33 120.9 . . ?
C29 C34 C33 121.2(5) . . ?
C29 C34 H34 119.4 . . ?
C33 C34 H34 119.4 . . ?
C40 C35 C36 119.3(4) . . ?
C40 C35 P1 120.2(4) . . ?
C36 C35 P1 120.3(4) . . ?
C37 C36 C35 119.3(5) . . ?
C37 C36 H36 120.3 . . ?
C35 C36 H36 120.3 . . ?
C38 C37 C36 120.5(5) . . ?
C38 C37 H37 119.7 . . ?
C36 C37 H37 119.7 . . ?
C37 C38 C39 120.8(5) . . ?
C37 C38 H38 119.6 . . ?
C39 C38 H38 119.6 . . ?
C38 C39 C40 120.7(5) . . ?
C38 C39 H39 119.6 . . ?
C40 C39 H39 119.6 . . ?
C35 C40 C39 119.3(5) . . ?
C35 C40 H40 120.3 . . ?
C39 C40 H40 120.3 . . ?
O2 C41 Rh2 173.0(5) . . ?
C35 P1 C29 101.3(2) . . ?
C35 P1 C23 102.8(2) . . ?
C29 P1 C23 105.1(2) . . ?
C35 P1 Rh2 117.84(16) . . ?
C29 P1 Rh2 113.48(15) . . ?
C23 P1 Rh2 114.64(15) . . ?
C17 Rh1 C13 39.34(19) . . ?
C17 Rh1 C16 38.64(17) . . ?
C13 Rh1 C16 65.08(19) . . ?
C17 Rh1 C14 65.13(18) . . ?
C13 Rh1 C14 38.63(19) . . ?
C16 Rh1 C14 64.68(18) . . ?
C17 Rh1 C15 64.18(17) . . ?
C13 Rh1 C15 64.14(19) . . ?
C16 Rh1 C15 38.18(18) . . ?
C14 Rh1 C15 38.17(19) . . ?
C17 Rh1 S1 134.52(13) . . ?
C13 Rh1 S1 104.00(15) . . ?
C16 Rh1 S1 168.34(13) . . ?
C14 Rh1 S1 104.41(14) . . ?
C15 Rh1 S1 134.70(14) . . ?
C17 Rh1 S2 112.06(13) . . ?
C13 Rh1 S2 146.35(15) . . ?
C16 Rh1 S2 104.20(13) . . ?
C14 Rh1 S2 166.10(14) . . ?
C15 Rh1 S2 127.94(14) . . ?
S1 Rh1 S2 87.19(4) . . ?
C17 Rh1 Rh2 166.44(13) . . ?
C13 Rh1 Rh2 153.95(14) . . ?
C16 Rh1 Rh2 132.14(12) . . ?
C14 Rh1 Rh2 123.60(14) . . ?
C15 Rh1 Rh2 115.14(12) . . ?
S1 Rh1 Rh2 56.55(3) . . ?
S2 Rh1 Rh2 56.72(3) . . ?
C41 Rh2 P1 90.01(17) . . ?
C41 Rh2 S1 90.62(17) . . ?
P1 Rh2 S1 175.50(4) . . ?
C41 Rh2 S2 158.74(19) . . ?
P1 Rh2 S2 94.26(4) . . ?
S1 Rh2 S2 83.57(4) . . ?
C41 Rh2 Rh1 106.55(17) . . ?
P1 Rh2 Rh1 121.91(3) . . ?
S1 Rh2 Rh1 53.68(3) . . ?
S2 Rh2 Rh1 53.94(3) . . ?
B12 S1 Rh1 104.93(18) . . ?
B12 S1 Rh2 93.24(19) . . ?
Rh1 S1 Rh2 69.76(3) . . ?
B9 S2 Rh1 104.08(17) . . ?
B9 S2 Rh2 93.39(18) . . ?
Rh1 S2 Rh2 69.34(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2 B3 B11 C1 32.4(4) . . . . ?
B4 B3 B11 C1 93.7(6) . . . . ?
B10 B3 B11 C1 130.2(5) . . . . ?
C1 B3 B11 B12 -89.2(5) . . . . ?
C2 B3 B11 B12 -56.7(6) . . . . ?
B4 B3 B11 B12 4.5(7) . . . . ?
B10 B3 B11 B12 41.0(4) . . . . ?
C1 B3 B11 B7 -27.2(4) . . . . ?
C2 B3 B11 B7 5.2(5) . . . . ?
B4 B3 B11 B7 66.5(6) . . . . ?
B10 B3 B11 B7 103.0(5) . . . . ?
C1 B3 B11 B10 -130.2(5) . . . . ?
C2 B3 B11 B10 -97.8(5) . . . . ?
B4 B3 B11 B10 -36.5(5) . . . . ?
B12 B11 B7 C1 128.5(5) . . . . ?
B3 B11 B7 C1 28.4(4) . . . . ?
B10 B11 B7 C1 90.7(5) . . . . ?
C1 B11 B7 B12 -128.5(5) . . . . ?
B3 B11 B7 B12 -100.2(5) . . . . ?
B10 B11 B7 B12 -37.8(4) . . . . ?
C1 B11 B7 B8 -93.7(5) . . . . ?
B12 B11 B7 B8 34.9(4) . . . . ?
B3 B11 B7 B8 -65.3(5) . . . . ?
B10 B11 B7 B8 -2.9(6) . . . . ?
C1 B7 B8 O1 145.9(5) . . . . ?
B12 B7 B8 O1 -115.5(5) . . . . ?
B11 B7 B8 O1 -151.2(5) . . . . ?
C1 B7 B8 B12 -98.5(5) . . . . ?
B11 B7 B8 B12 -35.7(4) . . . . ?
C1 B7 B8 B9 -59.9(6) . . . . ?
B12 B7 B8 B9 38.7(4) . . . . ?
B11 B7 B8 B9 2.9(6) . . . . ?
C1 B7 B8 B5 2.6(6) . . . . ?
B12 B7 B8 B5 101.2(5) . . . . ?
B11 B7 B8 B5 65.5(5) . . . . ?
C2 B5 B8 O1 -136.4(6) . . . . ?
B4 B5 B8 O1 160.3(5) . . . . ?
B9 B5 B8 O1 125.1(7) . . . . ?
C2 B5 B8 B12 59.7(6) . . . . ?
B4 B5 B8 B12 -3.6(6) . . . . ?
B9 B5 B8 B12 -38.8(4) . . . . ?
C2 B5 B8 B9 98.4(5) . . . . ?
B4 B5 B8 B9 35.2(4) . . . . ?
C2 B5 B8 B7 -2.4(6) . . . . ?
B4 B5 B8 B7 -65.6(5) . . . . ?
B9 B5 B8 B7 -100.8(5) . . . . ?
O1 B8 B12 B7 96.5(6) . . . . ?
B9 B8 B12 B7 -136.7(5) . . . . ?
B5 B8 B12 B7 -98.2(5) . . . . ?
O1 B8 B12 B9 -126.9(6) . . . . ?
B7 B8 B12 B9 136.7(5) . . . . ?
B5 B8 B12 B9 38.4(4) . . . . ?
O1 B8 B12 B11 133.1(6) . . . . ?
B9 B8 B12 B11 -100.0(5) . . . . ?
B7 B8 B12 B11 36.6(5) . . . . ?
B5 B8 B12 B11 -61.6(6) . . . . ?
O1 B8 B12 B10 -162.0(5) . . . . ?
B9 B8 B12 B10 -35.1(4) . . . . ?
B7 B8 B12 B10 101.5(5) . . . . ?
B5 B8 B12 B10 3.3(6) . . . . ?
O1 B8 B12 S1 -24.9(7) . . . . ?
B9 B8 B12 S1 102.0(4) . . . . ?
B7 B8 B12 S1 -121.3(5) . . . . ?
B5 B8 B12 S1 140.4(4) . . . . ?
C1 B7 B12 B8 95.7(5) . . . . ?
B11 B7 B12 B8 140.3(5) . . . . ?
C1 B7 B12 B9 56.3(6) . . . . ?
B11 B7 B12 B9 100.9(5) . . . . ?
B8 B7 B12 B9 -39.4(4) . . . . ?
C1 B7 B12 B11 -44.5(5) . . . . ?
B8 B7 B12 B11 -140.3(5) . . . . ?
C1 B7 B12 B10 -7.2(6) . . . . ?
B11 B7 B12 B10 37.3(4) . . . . ?
B8 B7 B12 B10 -102.9(5) . . . . ?
C1 B7 B12 S1 -160.0(5) . . . . ?
B11 B7 B12 S1 -115.4(6) . . . . ?
B8 B7 B12 S1 104.3(5) . . . . ?
C1 B11 B12 B8 2.5(6) . . . . ?
B7 B11 B12 B8 -37.5(4) . . . . ?
B3 B11 B12 B8 61.2(6) . . . . ?
B10 B11 B12 B8 101.2(5) . . . . ?
C1 B11 B12 B7 40.0(4) . . . . ?
B3 B11 B12 B7 98.7(5) . . . . ?
B10 B11 B12 B7 138.7(5) . . . . ?
C1 B11 B12 B9 -62.4(5) . . . . ?
B7 B11 B12 B9 -102.4(5) . . . . ?
B3 B11 B12 B9 -3.7(6) . . . . ?
B10 B11 B12 B9 36.3(4) . . . . ?
C1 B11 B12 B10 -98.7(5) . . . . ?
B7 B11 B12 B10 -138.7(5) . . . . ?
B3 B11 B12 B10 -40.0(5) . . . . ?
C1 B11 B12 S1 157.9(4) . . . . ?
B7 B11 B12 S1 117.9(5) . . . . ?
B3 B11 B12 S1 -143.4(5) . . . . ?
B10 B11 B12 S1 -103.4(5) . . . . ?
C1 B3 B10 B4 -97.0(6) . . . . ?
C2 B3 B10 B4 -40.7(5) . . . . ?
B11 B3 B10 B4 -139.0(6) . . . . ?
C1 B3 B10 B9 -57.6(6) . . . . ?
C2 B3 B10 B9 -1.4(6) . . . . ?
B4 B3 B10 B9 39.4(4) . . . . ?
B11 B3 B10 B9 -99.6(5) . . . . ?
C1 B3 B10 B11 42.0(5) . . . . ?
C2 B3 B10 B11 98.2(6) . . . . ?
B4 B3 B10 B11 139.0(6) . . . . ?
C1 B3 B10 B12 3.0(6) . . . . ?
C2 B3 B10 B12 59.3(6) . . . . ?
B4 B3 B10 B12 100.0(5) . . . . ?
B11 B3 B10 B12 -39.0(4) . . . . ?
C1 B11 B10 B4 -4.4(6) . . . . ?
B12 B11 B10 B4 -97.4(5) . . . . ?
B7 B11 B10 B4 -60.5(6) . . . . ?
B3 B11 B10 B4 36.9(5) . . . . ?
C1 B11 B10 B3 -41.2(5) . . . . ?
B12 B11 B10 B3 -134.2(5) . . . . ?
B7 B11 B10 B3 -97.3(6) . . . . ?
C1 B11 B10 B9 57.9(5) . . . . ?
B12 B11 B10 B9 -35.1(4) . . . . ?
B7 B11 B10 B9 1.8(6) . . . . ?
B3 B11 B10 B9 99.1(5) . . . . ?
C1 B11 B10 B12 93.0(5) . . . . ?
B7 B11 B10 B12 36.9(4) . . . . ?
B3 B11 B10 B12 134.2(5) . . . . ?
B8 B12 B10 B4 -1.7(5) . . . . ?
B7 B12 B10 B4 64.9(5) . . . . ?
B9 B12 B10 B4 -37.2(4) . . . . ?
B11 B12 B10 B4 102.3(5) . . . . ?
S1 B12 B10 B4 -138.9(4) . . . . ?
B8 B12 B10 B3 -64.1(5) . . . . ?
B7 B12 B10 B3 2.5(6) . . . . ?
B9 B12 B10 B3 -99.7(5) . . . . ?
B11 B12 B10 B3 39.8(4) . . . . ?
S1 B12 B10 B3 158.7(4) . . . . ?
B8 B12 B10 B9 35.5(4) . . . . ?
B7 B12 B10 B9 102.1(5) . . . . ?
B11 B12 B10 B9 139.5(5) . . . . ?
S1 B12 B10 B9 -101.7(4) . . . . ?
B8 B12 B10 B11 -103.9(5) . . . . ?
B7 B12 B10 B11 -37.3(4) . . . . ?
B9 B12 B10 B11 -139.5(5) . . . . ?
S1 B12 B10 B11 118.9(5) . . . . ?
B3 B10 B4 C2 40.8(5) . . . . ?
B9 B10 B4 C2 -93.8(5) . . . . ?
B11 B10 B4 C2 4.1(6) . . . . ?
B12 B10 B4 C2 -57.0(5) . . . . ?
B3 B10 B4 B9 134.7(5) . . . . ?
B11 B10 B4 B9 97.9(5) . . . . ?
B12 B10 B4 B9 36.8(4) . . . . ?
B9 B10 B4 B3 -134.7(5) . . . . ?
B11 B10 B4 B3 -36.8(5) . . . . ?
B12 B10 B4 B3 -97.8(5) . . . . ?
B3 B10 B4 B5 97.2(5) . . . . ?
B9 B10 B4 B5 -37.4(4) . . . . ?
B11 B10 B4 B5 60.5(5) . . . . ?
B12 B10 B4 B5 -0.6(5) . . . . ?
C1 B3 B4 C2 -34.1(4) . . . . ?
B10 B3 B4 C2 -132.0(5) . . . . ?
B11 B3 B4 C2 -94.9(6) . . . . ?
C1 B3 B4 B9 57.1(6) . . . . ?
C2 B3 B4 B9 91.3(5) . . . . ?
B10 B3 B4 B9 -40.8(4) . . . . ?
B11 B3 B4 B9 -3.6(7) . . . . ?
C1 B3 B4 B10 97.9(5) . . . . ?
C2 B3 B4 B10 132.0(5) . . . . ?
B11 B3 B4 B10 37.2(5) . . . . ?
C1 B3 B4 B5 -6.3(6) . . . . ?
C2 B3 B4 B5 27.8(4) . . . . ?
B10 B3 B4 B5 -104.2(5) . . . . ?
B11 B3 B4 B5 -67.0(6) . . . . ?
B9 B5 B4 C2 131.0(5) . . . . ?
B8 B5 B4 C2 95.9(5) . . . . ?
C2 B5 B4 B9 -131.0(5) . . . . ?
B8 B5 B4 B9 -35.1(4) . . . . ?
C2 B5 B4 B10 -93.3(5) . . . . ?
B9 B5 B4 B10 37.7(4) . . . . ?
B8 B5 B4 B10 2.6(6) . . . . ?
C2 B5 B4 B3 -29.5(5) . . . . ?
B9 B5 B4 B3 101.5(5) . . . . ?
B8 B5 B4 B3 66.4(5) . . . . ?
C2 B4 B9 B12 61.4(5) . . . . ?
B10 B4 B9 B12 -39.2(4) . . . . ?
B3 B4 B9 B12 1.3(6) . . . . ?
B5 B4 B9 B12 99.7(4) . . . . ?
C2 B4 B9 B8 -1.5(5) . . . . ?
B10 B4 B9 B8 -102.1(4) . . . . ?
B3 B4 B9 B8 -61.6(6) . . . . ?
B5 B4 B9 B8 36.8(4) . . . . ?
C2 B4 B9 B5 -38.3(4) . . . . ?
B10 B4 B9 B5 -138.9(5) . . . . ?
B3 B4 B9 B5 -98.5(5) . . . . ?
C2 B4 B9 B10 100.6(5) . . . . ?
B3 B4 B9 B10 40.5(5) . . . . ?
B5 B4 B9 B10 138.9(5) . . . . ?
C2 B4 B9 S2 -156.0(4) . . . . ?
B10 B4 B9 S2 103.4(5) . . . . ?
B3 B4 B9 S2 143.9(5) . . . . ?
B5 B4 B9 S2 -117.6(5) . . . . ?
B8 B12 B9 B4 -103.0(5) . . . . ?
B7 B12 B9 B4 -62.7(6) . . . . ?
B11 B12 B9 B4 1.5(6) . . . . ?
B10 B12 B9 B4 38.1(4) . . . . ?
S1 B12 B9 B4 147.5(4) . . . . ?
B7 B12 B9 B8 40.2(5) . . . . ?
B11 B12 B9 B8 104.5(5) . . . . ?
B10 B12 B9 B8 141.1(5) . . . . ?
S1 B12 B9 B8 -109.6(5) . . . . ?
B8 B12 B9 B5 -39.1(5) . . . . ?
B7 B12 B9 B5 1.1(6) . . . . ?
B11 B12 B9 B5 65.4(6) . . . . ?
B10 B12 B9 B5 102.0(5) . . . . ?
S1 B12 B9 B5 -148.7(4) . . . . ?
B8 B12 B9 B10 -141.1(5) . . . . ?
B7 B12 B9 B10 -100.9(5) . . . . ?
B11 B12 B9 B10 -36.6(4) . . . . ?
S1 B12 B9 B10 109.3(4) . . . . ?
B8 B12 B9 S2 108.1(4) . . . . ?
B7 B12 B9 S2 148.3(4) . . . . ?
B11 B12 B9 S2 -147.4(4) . . . . ?
B10 B12 B9 S2 -110.8(4) . . . . ?
S1 B12 B9 S2 -1.5(5) . . . . ?
O1 B8 B9 B4 -152.9(6) . . . . ?
B12 B8 B9 B4 100.2(4) . . . . ?
B7 B8 B9 B4 62.2(5) . . . . ?
B5 B8 B9 B4 -36.4(4) . . . . ?
O1 B8 B9 B12 106.9(7) . . . . ?
B7 B8 B9 B12 -38.1(4) . . . . ?
B5 B8 B9 B12 -136.7(5) . . . . ?
O1 B8 B9 B5 -116.4(7) . . . . ?
B12 B8 B9 B5 136.7(5) . . . . ?
B7 B8 B9 B5 98.6(5) . . . . ?
O1 B8 B9 B10 143.1(6) . . . . ?
B12 B8 B9 B10 36.2(4) . . . . ?
B7 B8 B9 B10 -1.9(6) . . . . ?
B5 B8 B9 B10 -100.5(5) . . . . ?
O1 B8 B9 S2 5.0(8) . . . . ?
B12 B8 B9 S2 -101.9(4) . . . . ?
B7 B8 B9 S2 -140.0(4) . . . . ?
B5 B8 B9 S2 121.4(4) . . . . ?
C2 B5 B9 B4 42.8(5) . . . . ?
B8 B5 B9 B4 140.2(5) . . . . ?
C2 B5 B9 B12 -59.3(6) . . . . ?
B4 B5 B9 B12 -102.1(5) . . . . ?
B8 B5 B9 B12 38.0(4) . . . . ?
C2 B5 B9 B8 -97.3(5) . . . . ?
B4 B5 B9 B8 -140.2(5) . . . . ?
C2 B5 B9 B10 6.2(6) . . . . ?
B4 B5 B9 B10 -36.7(4) . . . . ?
B8 B5 B9 B10 103.5(5) . . . . ?
C2 B5 B9 S2 160.3(4) . . . . ?
B4 B5 B9 S2 117.5(5) . . . . ?
B8 B5 B9 S2 -102.4(5) . . . . ?
B3 B10 B9 B4 -39.8(4) . . . . ?
B11 B10 B9 B4 -102.3(5) . . . . ?
B12 B10 B9 B4 -137.3(4) . . . . ?
B4 B10 B9 B12 137.3(4) . . . . ?
B3 B10 B9 B12 97.5(5) . . . . ?
B11 B10 B9 B12 35.1(4) . . . . ?
B4 B10 B9 B8 102.4(5) . . . . ?
B3 B10 B9 B8 62.6(6) . . . . ?
B11 B10 B9 B8 0.1(5) . . . . ?
B12 B10 B9 B8 -35.0(4) . . . . ?
B4 B10 B9 B5 37.0(4) . . . . ?
B3 B10 B9 B5 -2.8(6) . . . . ?
B11 B10 B9 B5 -65.3(5) . . . . ?
B12 B10 B9 B5 -100.4(4) . . . . ?
B4 B10 B9 S2 -120.3(4) . . . . ?
B3 B10 B9 S2 -160.1(4) . . . . ?
B11 B10 B9 S2 137.4(4) . . . . ?
B12 B10 B9 S2 102.4(4) . . . . ?
B12 B7 C1 C2 -62.0(7) . . . . ?
B11 B7 C1 C2 -106.3(6) . . . . ?
B8 B7 C1 C2 -2.1(7) . . . . ?
B12 B7 C1 B3 10.4(7) . . . . ?
B11 B7 C1 B3 -33.9(5) . . . . ?
B8 B7 C1 B3 70.3(7) . . . . ?
B12 B7 C1 B11 44.3(4) . . . . ?
B8 B7 C1 B11 104.2(5) . . . . ?
B4 B3 C1 C2 36.1(4) . . . . ?
B10 B3 C1 C2 97.1(5) . . . . ?
B11 B3 C1 C2 140.2(5) . . . . ?
C2 B3 C1 B7 -106.0(6) . . . . ?
B4 B3 C1 B7 -69.9(7) . . . . ?
B10 B3 C1 B7 -8.9(7) . . . . ?
B11 B3 C1 B7 34.2(5) . . . . ?
C2 B3 C1 B11 -140.2(5) . . . . ?
B4 B3 C1 B11 -104.2(5) . . . . ?
B10 B3 C1 B11 -43.2(4) . . . . ?
B12 B11 C1 C2 65.6(7) . . . . ?
B7 B11 C1 C2 108.4(6) . . . . ?
B3 B11 C1 C2 -38.9(5) . . . . ?
B10 B11 C1 C2 3.2(7) . . . . ?
B12 B11 C1 B7 -42.8(4) . . . . ?
B3 B11 C1 B7 -147.2(5) . . . . ?
B10 B11 C1 B7 -105.2(5) . . . . ?
B12 B11 C1 B3 104.5(5) . . . . ?
B7 B11 C1 B3 147.2(5) . . . . ?
B10 B11 C1 B3 42.1(4) . . . . ?
B7 C1 C2 B5 0.7(8) . . . . ?
B3 C1 C2 B5 -111.0(6) . . . . ?
B11 C1 C2 B5 -71.9(8) . . . . ?
B7 C1 C2 B3 111.6(6) . . . . ?
B11 C1 C2 B3 39.0(5) . . . . ?
B7 C1 C2 B4 71.8(8) . . . . ?
B3 C1 C2 B4 -39.8(5) . . . . ?
B11 C1 C2 B4 -0.8(8) . . . . ?
B4 B5 C2 C1 103.9(6) . . . . ?
B9 B5 C2 C1 62.0(7) . . . . ?
B8 B5 C2 C1 1.2(7) . . . . ?
B4 B5 C2 B3 34.1(5) . . . . ?
B9 B5 C2 B3 -7.8(7) . . . . ?
B8 B5 C2 B3 -68.6(7) . . . . ?
B9 B5 C2 B4 -41.9(4) . . . . ?
B8 B5 C2 B4 -102.7(5) . . . . ?
B4 B3 C2 C1 -137.8(5) . . . . ?
B10 B3 C2 C1 -96.8(5) . . . . ?
B11 B3 C2 C1 -34.1(4) . . . . ?
C1 B3 C2 B5 102.9(6) . . . . ?
B4 B3 C2 B5 -34.9(6) . . . . ?
B10 B3 C2 B5 6.1(8) . . . . ?
B11 B3 C2 B5 68.7(6) . . . . ?
C1 B3 C2 B4 137.8(5) . . . . ?
B10 B3 C2 B4 41.0(4) . . . . ?
B11 B3 C2 B4 103.7(5) . . . . ?
B9 B4 C2 C1 -64.7(6) . . . . ?
B10 B4 C2 C1 -2.2(7) . . . . ?
B3 B4 C2 C1 39.7(5) . . . . ?
B5 B4 C2 C1 -106.6(6) . . . . ?
B9 B4 C2 B5 41.9(4) . . . . ?
B10 B4 C2 B5 104.4(5) . . . . ?
B3 B4 C2 B5 146.3(5) . . . . ?
B9 B4 C2 B3 -104.4(5) . . . . ?
B10 B4 C2 B3 -41.8(5) . . . . ?
B5 B4 C2 B3 -146.3(5) . . . . ?
C17 C13 C14 C15 -0.8(6) . . . . ?
C18 C13 C14 C15 -179.9(5) . . . . ?
Rh1 C13 C14 C15 -61.7(3) . . . . ?
C17 C13 C14 C19 -178.0(5) . . . . ?
C18 C13 C14 C19 2.9(9) . . . . ?
Rh1 C13 C14 C19 121.1(5) . . . . ?
C17 C13 C14 Rh1 60.9(3) . . . . ?
C18 C13 C14 Rh1 -118.2(6) . . . . ?
C13 C14 C15 C16 0.9(5) . . . . ?
C19 C14 C15 C16 178.0(5) . . . . ?
Rh1 C14 C15 C16 -59.8(3) . . . . ?
C13 C14 C15 C20 -177.2(5) . . . . ?
C19 C14 C15 C20 -0.1(8) . . . . ?
Rh1 C14 C15 C20 122.1(5) . . . . ?
C13 C14 C15 Rh1 60.7(3) . . . . ?
C19 C14 C15 Rh1 -122.1(6) . . . . ?
C14 C15 C16 C17 -0.6(5) . . . . ?
C20 C15 C16 C17 177.4(5) . . . . ?
Rh1 C15 C16 C17 -60.6(3) . . . . ?
C14 C15 C16 C21 -177.1(5) . . . . ?
C20 C15 C16 C21 0.9(8) . . . . ?
Rh1 C15 C16 C21 122.9(5) . . . . ?
C14 C15 C16 Rh1 60.0(3) . . . . ?
C20 C15 C16 Rh1 -122.0(5) . . . . ?
C15 C16 C17 C13 0.1(5) . . . . ?
C21 C16 C17 C13 176.7(4) . . . . ?
Rh1 C16 C17 C13 -61.8(3) . . . . ?
C15 C16 C17 C22 -176.5(5) . . . . ?
C21 C16 C17 C22 0.1(7) . . . . ?
Rh1 C16 C17 C22 121.6(5) . . . . ?
C15 C16 C17 Rh1 61.9(3) . . . . ?
C21 C16 C17 Rh1 -121.5(5) . . . . ?
C14 C13 C17 C16 0.4(6) . . . . ?
C18 C13 C17 C16 179.5(5) . . . . ?
Rh1 C13 C17 C16 62.4(3) . . . . ?
C14 C13 C17 C22 177.0(5) . . . . ?
C18 C13 C17 C22 -3.9(8) . . . . ?
Rh1 C13 C17 C22 -121.0(5) . . . . ?
C14 C13 C17 Rh1 -62.0(4) . . . . ?
C18 C13 C17 Rh1 117.1(5) . . . . ?
C28 C23 C24 C25 5.2(8) . . . . ?
P1 C23 C24 C25 -179.6(4) . . . . ?
C23 C24 C25 C26 -3.8(8) . . . . ?
C24 C25 C26 C27 0.0(9) . . . . ?
C25 C26 C27 C28 2.3(9) . . . . ?
C26 C27 C28 C23 -0.7(9) . . . . ?
C24 C23 C28 C27 -3.1(8) . . . . ?
P1 C23 C28 C27 -178.5(4) . . . . ?
C34 C29 C30 C31 2.0(8) . . . . ?
P1 C29 C30 C31 172.8(4) . . . . ?
C29 C30 C31 C32 -0.6(9) . . . . ?
C30 C31 C32 C33 0.5(9) . . . . ?
C31 C32 C33 C34 -1.9(9) . . . . ?
C30 C29 C34 C33 -3.4(8) . . . . ?
P1 C29 C34 C33 -174.9(4) . . . . ?
C32 C33 C34 C29 3.4(8) . . . . ?
C40 C35 C36 C37 -1.3(8) . . . . ?
P1 C35 C36 C37 -176.4(4) . . . . ?
C35 C36 C37 C38 1.3(9) . . . . ?
C36 C37 C38 C39 -1.0(10) . . . . ?
C37 C38 C39 C40 0.7(10) . . . . ?
C36 C35 C40 C39 0.9(8) . . . . ?
P1 C35 C40 C39 176.1(4) . . . . ?
C38 C39 C40 C35 -0.7(9) . . . . ?
C40 C35 P1 C29 -116.7(4) . . . . ?
C36 C35 P1 C29 58.4(4) . . . . ?
C40 C35 P1 C23 134.8(4) . . . . ?
C36 C35 P1 C23 -50.1(4) . . . . ?
C40 C35 P1 Rh2 7.6(5) . . . . ?
C36 C35 P1 Rh2 -177.2(4) . . . . ?
C30 C29 P1 C35 -79.3(5) . . . . ?
C34 C29 P1 C35 91.6(4) . . . . ?
C30 C29 P1 C23 27.4(5) . . . . ?
C34 C29 P1 C23 -161.7(4) . . . . ?
C30 C29 P1 Rh2 153.4(4) . . . . ?
C34 C29 P1 Rh2 -35.7(4) . . . . ?
C24 C23 P1 C35 146.5(4) . . . . ?
C28 C23 P1 C35 -38.3(5) . . . . ?
C24 C23 P1 C29 40.9(5) . . . . ?
C28 C23 P1 C29 -143.9(4) . . . . ?
C24 C23 P1 Rh2 -84.4(4) . . . . ?
C28 C23 P1 Rh2 90.8(4) . . . . ?
C16 C17 Rh1 C13 -117.5(4) . . . . ?
C22 C17 Rh1 C13 122.1(6) . . . . ?
C13 C17 Rh1 C16 117.5(4) . . . . ?
C22 C17 Rh1 C16 -120.4(6) . . . . ?
C16 C17 Rh1 C14 -79.9(3) . . . . ?
C13 C17 Rh1 C14 37.6(3) . . . . ?
C22 C17 Rh1 C14 159.7(5) . . . . ?
C16 C17 Rh1 C15 -37.5(3) . . . . ?
C13 C17 Rh1 C15 80.0(3) . . . . ?
C22 C17 Rh1 C15 -157.9(5) . . . . ?
C16 C17 Rh1 S1 -165.8(2) . . . . ?
C13 C17 Rh1 S1 -48.4(3) . . . . ?
C22 C17 Rh1 S1 73.8(5) . . . . ?
C16 C17 Rh1 S2 85.2(3) . . . . ?
C13 C17 Rh1 S2 -157.3(2) . . . . ?
C22 C17 Rh1 S2 -35.2(5) . . . . ?
C16 C17 Rh1 Rh2 52.9(6) . . . . ?
C13 C17 Rh1 Rh2 170.4(4) . . . . ?
C22 C17 Rh1 Rh2 -67.5(7) . . . . ?
C14 C13 Rh1 C17 117.6(4) . . . . ?
C18 C13 Rh1 C17 -119.1(6) . . . . ?
C14 C13 Rh1 C16 80.0(3) . . . . ?
C17 C13 Rh1 C16 -37.6(3) . . . . ?
C18 C13 Rh1 C16 -156.8(5) . . . . ?
C17 C13 Rh1 C14 -117.6(4) . . . . ?
C18 C13 Rh1 C14 123.2(6) . . . . ?
C14 C13 Rh1 C15 37.5(3) . . . . ?
C17 C13 Rh1 C15 -80.1(3) . . . . ?
C18 C13 Rh1 C15 160.8(6) . . . . ?
C14 C13 Rh1 S1 -95.7(3) . . . . ?
C17 C13 Rh1 S1 146.7(2) . . . . ?
C18 C13 Rh1 S1 27.6(5) . . . . ?
C14 C13 Rh1 S2 157.9(2) . . . . ?
C17 C13 Rh1 S2 40.2(4) . . . . ?
C18 C13 Rh1 S2 -78.9(6) . . . . ?
C14 C13 Rh1 Rh2 -57.2(5) . . . . ?
C17 C13 Rh1 Rh2 -174.9(2) . . . . ?
C18 C13 Rh1 Rh2 66.0(6) . . . . ?
C15 C16 Rh1 C17 -117.5(4) . . . . ?
C21 C16 Rh1 C17 118.6(6) . . . . ?
C15 C16 Rh1 C13 -79.2(3) . . . . ?
C17 C16 Rh1 C13 38.3(3) . . . . ?
C21 C16 Rh1 C13 156.9(5) . . . . ?
C15 C16 Rh1 C14 -36.4(3) . . . . ?
C17 C16 Rh1 C14 81.2(3) . . . . ?
C21 C16 Rh1 C14 -160.2(5) . . . . ?
C17 C16 Rh1 C15 117.5(4) . . . . ?
C21 C16 Rh1 C15 -123.9(6) . . . . ?
C15 C16 Rh1 S1 -57.9(7) . . . . ?
C17 C16 Rh1 S1 59.6(7) . . . . ?
C21 C16 Rh1 S1 178.2(4) . . . . ?
C15 C16 Rh1 S2 134.8(3) . . . . ?
C17 C16 Rh1 S2 -107.7(3) . . . . ?
C21 C16 Rh1 S2 10.9(5) . . . . ?
C15 C16 Rh1 Rh2 77.1(3) . . . . ?
C17 C16 Rh1 Rh2 -165.4(2) . . . . ?
C21 C16 Rh1 Rh2 -46.8(5) . . . . ?
C15 C14 Rh1 C17 79.2(3) . . . . ?
C13 C14 Rh1 C17 -38.2(3) . . . . ?
C19 C14 Rh1 C17 -158.0(6) . . . . ?
C15 C14 Rh1 C13 117.5(4) . . . . ?
C19 C14 Rh1 C13 -119.7(7) . . . . ?
C15 C14 Rh1 C16 36.4(3) . . . . ?
C13 C14 Rh1 C16 -81.1(3) . . . . ?
C19 C14 Rh1 C16 159.2(6) . . . . ?
C13 C14 Rh1 C15 -117.5(4) . . . . ?
C19 C14 Rh1 C15 122.8(6) . . . . ?
C15 C14 Rh1 S1 -148.0(2) . . . . ?
C13 C14 Rh1 S1 94.5(3) . . . . ?
C19 C14 Rh1 S1 -25.2(5) . . . . ?
C15 C14 Rh1 S2 -2.2(7) . . . . ?
C13 C14 Rh1 S2 -119.6(6) . . . . ?
C19 C14 Rh1 S2 120.7(6) . . . . ?
C15 C14 Rh1 Rh2 -88.9(3) . . . . ?
C13 C14 Rh1 Rh2 153.7(3) . . . . ?
C19 C14 Rh1 Rh2 33.9(6) . . . . ?
C16 C15 Rh1 C17 38.0(3) . . . . ?
C14 C15 Rh1 C17 -81.9(3) . . . . ?
C20 C15 Rh1 C17 160.4(6) . . . . ?
C16 C15 Rh1 C13 81.9(3) . . . . ?
C14 C15 Rh1 C13 -38.0(3) . . . . ?
C20 C15 Rh1 C13 -155.7(6) . . . . ?
C14 C15 Rh1 C16 -119.9(4) . . . . ?
C20 C15 Rh1 C16 122.4(6) . . . . ?
C16 C15 Rh1 C14 119.9(4) . . . . ?
C20 C15 Rh1 C14 -117.7(6) . . . . ?
C16 C15 Rh1 S1 166.1(2) . . . . ?
C14 C15 Rh1 S1 46.2(3) . . . . ?
C20 C15 Rh1 S1 -71.5(6) . . . . ?
C16 C15 Rh1 S2 -60.8(3) . . . . ?
C14 C15 Rh1 S2 179.3(2) . . . . ?
C20 C15 Rh1 S2 61.7(6) . . . . ?
C16 C15 Rh1 Rh2 -127.0(2) . . . . ?
C14 C15 Rh1 Rh2 113.1(3) . . . . ?
C20 C15 Rh1 Rh2 -4.6(6) . . . . ?
O2 C41 Rh2 P1 -99(4) . . . . ?
O2 C41 Rh2 S1 76(4) . . . . ?
O2 C41 Rh2 S2 3(5) . . . . ?
O2 C41 Rh2 Rh1 24(4) . . . . ?
C35 P1 Rh2 C41 -151.6(3) . . . . ?
C29 P1 Rh2 C41 -33.5(2) . . . . ?
C23 P1 Rh2 C41 87.3(2) . . . . ?
C35 P1 Rh2 S1 110.3(6) . . . . ?
C29 P1 Rh2 S1 -131.7(5) . . . . ?
C23 P1 Rh2 S1 -10.9(6) . . . . ?
C35 P1 Rh2 S2 49.29(17) . . . . ?
C29 P1 Rh2 S2 167.34(16) . . . . ?
C23 P1 Rh2 S2 -71.88(16) . . . . ?
C35 P1 Rh2 Rh1 98.83(17) . . . . ?
C29 P1 Rh2 Rh1 -143.12(15) . . . . ?
C23 P1 Rh2 Rh1 -22.35(17) . . . . ?
C17 Rh1 Rh2 C41 -134.1(5) . . . . ?
C13 Rh1 Rh2 C41 31.9(4) . . . . ?
C16 Rh1 Rh2 C41 -91.9(3) . . . . ?
C14 Rh1 Rh2 C41 -7.2(3) . . . . ?
C15 Rh1 Rh2 C41 -50.2(2) . . . . ?
S1 Rh1 Rh2 C41 78.2(2) . . . . ?
S2 Rh1 Rh2 C41 -170.5(2) . . . . ?
C17 Rh1 Rh2 P1 -33.4(5) . . . . ?
C13 Rh1 Rh2 P1 132.6(3) . . . . ?
C16 Rh1 Rh2 P1 8.75(17) . . . . ?
C14 Rh1 Rh2 P1 93.52(17) . . . . ?
C15 Rh1 Rh2 P1 50.48(16) . . . . ?
S1 Rh1 Rh2 P1 178.89(5) . . . . ?
S2 Rh1 Rh2 P1 -69.81(5) . . . . ?
C17 Rh1 Rh2 S1 147.7(5) . . . . ?
C13 Rh1 Rh2 S1 -46.3(3) . . . . ?
C16 Rh1 Rh2 S1 -170.14(17) . . . . ?
C14 Rh1 Rh2 S1 -85.37(17) . . . . ?
C15 Rh1 Rh2 S1 -128.41(16) . . . . ?
S2 Rh1 Rh2 S1 111.30(5) . . . . ?
C17 Rh1 Rh2 S2 36.4(5) . . . . ?
C13 Rh1 Rh2 S2 -157.6(3) . . . . ?
C16 Rh1 Rh2 S2 78.56(17) . . . . ?
C14 Rh1 Rh2 S2 163.33(17) . . . . ?
C15 Rh1 Rh2 S2 120.29(16) . . . . ?
S1 Rh1 Rh2 S2 -111.30(5) . . . . ?
B8 B12 S1 Rh1 -94.7(4) . . . . ?
B7 B12 S1 Rh1 -170.0(5) . . . . ?
B9 B12 S1 Rh1 -27.2(4) . . . . ?
B11 B12 S1 Rh1 111.2(5) . . . . ?
B10 B12 S1 Rh1 39.2(4) . . . . ?
B8 B12 S1 Rh2 -24.8(4) . . . . ?
B7 B12 S1 Rh2 -100.0(5) . . . . ?
B9 B12 S1 Rh2 42.7(4) . . . . ?
B11 B12 S1 Rh2 -178.9(5) . . . . ?
B10 B12 S1 Rh2 109.1(4) . . . . ?
C17 Rh1 S1 B12 -81.9(3) . . . . ?
C13 Rh1 S1 B12 -111.2(2) . . . . ?
C16 Rh1 S1 B12 -131.0(7) . . . . ?
C14 Rh1 S1 B12 -151.1(2) . . . . ?
C15 Rh1 S1 B12 -178.5(3) . . . . ?
S2 Rh1 S1 B12 36.7(2) . . . . ?
Rh2 Rh1 S1 B12 87.9(2) . . . . ?
C17 Rh1 S1 Rh2 -169.87(17) . . . . ?
C13 Rh1 S1 Rh2 160.90(15) . . . . ?
C16 Rh1 S1 Rh2 141.1(6) . . . . ?
C14 Rh1 S1 Rh2 121.00(14) . . . . ?
C15 Rh1 S1 Rh2 93.59(18) . . . . ?
S2 Rh1 S1 Rh2 -51.24(4) . . . . ?
C41 Rh2 S1 B12 145.1(3) . . . . ?
P1 Rh2 S1 B12 -116.8(6) . . . . ?
S2 Rh2 S1 B12 -55.44(18) . . . . ?
Rh1 Rh2 S1 B12 -104.72(19) . . . . ?
C41 Rh2 S1 Rh1 -110.22(19) . . . . ?
P1 Rh2 S1 Rh1 -12.1(6) . . . . ?
S2 Rh2 S1 Rh1 49.28(3) . . . . ?
B4 B9 S2 Rh1 -112.2(4) . . . . ?
B12 B9 S2 Rh1 29.2(4) . . . . ?
B8 B9 S2 Rh1 94.6(4) . . . . ?
B5 B9 S2 Rh1 167.8(5) . . . . ?
B10 B9 S2 Rh1 -40.2(4) . . . . ?
B4 B9 S2 Rh2 178.2(4) . . . . ?
B12 B9 S2 Rh2 -40.4(4) . . . . ?
B8 B9 S2 Rh2 25.0(4) . . . . ?
B5 B9 S2 Rh2 98.3(5) . . . . ?
B10 B9 S2 Rh2 -109.7(4) . . . . ?
C17 Rh1 S2 B9 100.3(2) . . . . ?
C13 Rh1 S2 B9 74.1(3) . . . . ?
C16 Rh1 S2 B9 140.3(2) . . . . ?
C14 Rh1 S2 B9 175.8(6) . . . . ?
C15 Rh1 S2 B9 174.1(2) . . . . ?
S1 Rh1 S2 B9 -37.20(19) . . . . ?
Rh2 Rh1 S2 B9 -88.31(19) . . . . ?
C17 Rh1 S2 Rh2 -171.37(14) . . . . ?
C13 Rh1 S2 Rh2 162.4(3) . . . . ?
C16 Rh1 S2 Rh2 -131.44(13) . . . . ?
C14 Rh1 S2 Rh2 -95.9(6) . . . . ?
C15 Rh1 S2 Rh2 -97.63(16) . . . . ?
S1 Rh1 S2 Rh2 51.11(4) . . . . ?
C41 Rh2 S2 B9 129.7(5) . . . . ?
P1 Rh2 S2 B9 -129.25(17) . . . . ?
S1 Rh2 S2 B9 54.71(17) . . . . ?
Rh1 Rh2 S2 B9 103.78(17) . . . . ?
C41 Rh2 S2 Rh1 25.9(5) . . . . ?
P1 Rh2 S2 Rh1 126.97(4) . . . . ?
S1 Rh2 S2 Rh1 -49.07(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         0.625
_refine_diff_density_min         -0.595
_refine_diff_density_rms         0.155
_database_code_depnum_ccdc_archive 'CCDC 996718'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_20130404

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C49 H56 B9 Cl3 P2 Rh2 S2'
_chemical_formula_weight         1180.46

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'
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'
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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21/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                   10.5802(14)
_cell_length_b                   11.9277(16)
_cell_length_c                   40.511(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.389(2)
_cell_angle_gamma                90.00
_cell_volume                     5107.9(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2392
_exptl_absorpt_coefficient_mu    0.983
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.8746
_exptl_absorpt_correction_T_max  0.8911
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            36040
_diffrn_reflns_av_R_equivalents  0.0362
_diffrn_reflns_av_sigmaI/netI    0.0726
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_theta_min         1.01
_diffrn_reflns_theta_max         26.00
_reflns_number_total             9633
_reflns_number_gt                7899
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0772P)²+0.0000P] 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         9633
_refine_ls_number_parameters     609
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0607
_refine_ls_R_factor_gt           0.0533
_refine_ls_wR_factor_ref         0.1263
_refine_ls_wR_factor_gt          0.1245
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_restrained_S_all      1.085
_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
Rh1 Rh 0.53146(3) 0.72527(2) 0.069890(6) 0.01814(10) Uani 1 1 d . . .
Rh2 Rh 0.37356(3) 0.647880(19) 0.116690(6) 0.01699(10) Uani 1 1 d . . .
S2 S 0.36288(9) 0.59914(6) 0.059730(19) 0.01730(19) Uani 1 1 d . . .
S1 S 0.37565(9) 0.83464(6) 0.093210(19) 0.01779(19) Uani 1 1 d . . .
Cl1 Cl 0.12279(9) 0.67555(7) 0.118910(19) 0.0230(2) Uani 1 1 d . . .
P2 P 0.42597(10) 0.71846(7) 0.16869(2) 0.0220(2) Uani 1 1 d . . .
P1 P 0.39175(9) 0.45658(7) 0.12732(2) 0.0190(2) Uani 1 1 d . . .
C48 C 0.2111(4) 0.6310(3) 0.19797(10) 0.0355(10) Uani 1 1 d . . .
H48 H 0.2046 0.5845 0.1796 0.043 Uiso 1 1 calc R . .
B12 B 0.2220(4) 0.6884(3) 0.04615(10) 0.0223(9) Uani 1 1 d . . .
B7 B 0.0565(5) 0.6525(3) 0.03925(10) 0.0263(10) Uani 1 1 d . . .
H7 H -0.0085 0.5826 0.0436 0.032 Uiso 1 1 calc R . .
C13 C 0.6642(4) 0.8513(3) 0.05484(10) 0.0292(9) Uani 1 1 d . . .
C17 C 0.7189(4) 0.7930(3) 0.08214(9) 0.0277(9) Uani 1 1 d . . .
B9 B 0.2353(4) 0.8258(3) 0.06342(10) 0.0234(9) Uani 1 1 d . . .
B8 B 0.1094(4) 0.7332(3) 0.07669(10) 0.0227(9) Uani 1 1 d . . .
H8 H -0.0069 0.7034 0.0694 0.027 Uiso 1 1 d R . .
C2 C 0.0055(4) 0.7541(3) 0.01443(8) 0.0220(8) Uani 1 1 d . . .
H2 H -0.0944 0.7348 0.0084 0.026 Uiso 1 1 calc R . .
B3 B 0.1149(4) 0.8432(3) -0.00104(10) 0.0222(9) Uani 1 1 d . . .
H3 H 0.1108 0.8799 -0.0260 0.027 Uiso 1 1 calc R . .
C47 C 0.3060(4) 0.7120(3) 0.20002(9) 0.0287(9) Uani 1 1 d . . .
C33 C 0.2250(4) 0.1728(3) 0.08927(9) 0.0278(9) Uani 1 1 d . . .
H33 H 0.2403 0.0961 0.0904 0.033 Uiso 1 1 calc R . .
C1 C 0.0157(4) 0.8737(3) 0.03050(9) 0.0232(8) Uani 1 1 d . . .
H1 H -0.0800 0.9086 0.0323 0.028 Uiso 1 1 calc R . .
C16 C 0.7328(4) 0.6759(3) 0.07241(9) 0.0258(8) Uani 1 1 d . . .
C30 C 0.1743(4) 0.4003(3) 0.08626(9) 0.0252(8) Uani 1 1 d . . .
H30 H 0.1570 0.4767 0.0850 0.030 Uiso 1 1 calc R . .
C52 C 0.3084(4) 0.7784(3) 0.22856(10) 0.0351(10) Uani 1 1 d . . .
H52 H 0.3700 0.8339 0.2307 0.042 Uiso 1 1 calc R . .
C31 C 0.0908(4) 0.3250(3) 0.07242(8) 0.0236(8) Uani 1 1 d . . .
H31 H 0.0162 0.3508 0.0621 0.028 Uiso 1 1 calc R . .
C55 C 0.6042(5) 1.0238(3) 0.18818(10) 0.0425(12) Uani 1 1 d . . .
H55 H 0.6838 1.0501 0.1949 0.051 Uiso 1 1 calc R . .
C32 C 0.1148(4) 0.2124(3) 0.07343(9) 0.0252(8) Uani 1 1 d . . .
H32 H 0.0574 0.1623 0.0635 0.030 Uiso 1 1 calc R . .
C57 C 0.3876(5) 1.0618(3) 0.17068(9) 0.0425(12) Uani 1 1 d . . .
H57 H 0.3225 1.1125 0.1660 0.051 Uiso 1 1 calc R . .
B11 B 0.1504(4) 0.7014(3) 0.00609(9) 0.0184(8) Uani 1 1 d . . .
H11 H 0.1738 0.6455 -0.0144 0.022 Uiso 1 1 calc R . .
C14 C 0.6444(4) 0.7711(3) 0.02780(9) 0.0275(9) Uani 1 1 d . . .
C40 C 0.4230(5) 0.4188(3) 0.19659(10) 0.0347(10) Uani 1 1 d . . .
H40 H 0.5040 0.4483 0.1953 0.042 Uiso 1 1 calc R . .
C22 C 0.7716(4) 0.8432(3) 0.11320(10) 0.0365(11) Uani 1 1 d . . .
H22A H 0.8114 0.9133 0.1084 0.055 Uiso 1 1 calc R . .
H22B H 0.8330 0.7932 0.1233 0.055 Uiso 1 1 calc R . .
H22C H 0.7046 0.8556 0.1281 0.055 Uiso 1 1 calc R . .
C58 C 0.3679(4) 0.9455(3) 0.16545(9) 0.0305(9) Uani 1 1 d . . .
H58 H 0.2901 0.9204 0.1568 0.037 Uiso 1 1 calc R . .
B5 B 0.0771(4) 0.8773(3) 0.06833(10) 0.0204(8) Uani 1 1 d . . .
H5 H 0.0207 0.9184 0.0870 0.025 Uiso 1 1 calc R . .
C54 C 0.5811(5) 0.9081(3) 0.18328(9) 0.0379(11) Uani 1 1 d . . .
H54 H 0.6465 0.8571 0.1870 0.046 Uiso 1 1 calc R . .
C28 C 0.6310(4) 0.3485(4) 0.14294(11) 0.0382(11) Uani 1 1 d . . .
H28 H 0.6190 0.3628 0.1652 0.046 Uiso 1 1 calc R . .
C53 C 0.4622(4) 0.8695(3) 0.17294(9) 0.0309(10) Uani 1 1 d . . .
C15 C 0.6839(4) 0.6642(3) 0.03939(8) 0.0223(8) Uani 1 1 d . . .
C19 C 0.5966(5) 0.7988(4) -0.00652(11) 0.0432(11) Uani 1 1 d . . .
H19A H 0.6654 0.7964 -0.0212 0.065 Uiso 1 1 calc R . .
H19B H 0.5602 0.8725 -0.0068 0.065 Uiso 1 1 calc R . .
H19C H 0.5334 0.7451 -0.0136 0.065 Uiso 1 1 calc R . .
C49 C 0.1301(4) 0.6192(4) 0.22171(11) 0.0429(11) Uani 1 1 d . . .
H49 H 0.0694 0.5632 0.2190 0.051 Uiso 1 1 calc R . .
C23 C 0.5431(4) 0.3873(3) 0.11927(9) 0.0240(8) Uani 1 1 d . . .
C51 C 0.2293(5) 0.7673(3) 0.25251(10) 0.0407(11) Uani 1 1 d . . .
H51 H 0.2386 0.8136 0.2709 0.049 Uiso 1 1 calc R . .
B4 B 0.1714(5) 0.9202(3) 0.03406(10) 0.0266(10) Uani 1 1 d . . .
H4 H 0.2072 1.0062 0.0317 0.032 Uiso 1 1 calc R . .
C50 C 0.1278(5) 0.6852(4) 0.25129(11) 0.0412(11) Uani 1 1 d . . .
H50 H 0.0691 0.6766 0.2675 0.049 Uiso 1 1 calc R . .
B10 B 0.2535(4) 0.8053(3) 0.02052(9) 0.0195(8) Uani 1 1 d . . .
H10 H 0.3459 0.8163 0.0095 0.023 Uiso 1 1 calc R . .
C35 C 0.3456(4) 0.4044(3) 0.16773(9) 0.0267(9) Uani 1 1 d . . .
C42 C 0.6688(4) 0.6231(3) 0.17034(10) 0.0344(10) Uani 1 1 d . . .
H42 H 0.6646 0.6349 0.1476 0.041 Uiso 1 1 calc R . .
C56 C 0.5008(5) 1.0983(3) 0.18236(11) 0.0467(13) Uani 1 1 d . . .
H56 H 0.5118 1.1743 0.1868 0.056 Uiso 1 1 calc R . .
C46 C 0.5747(4) 0.6375(3) 0.22486(9) 0.0318(9) Uani 1 1 d . . .
H46 H 0.5102 0.6598 0.2383 0.038 Uiso 1 1 calc R . .
C36 C 0.2263(4) 0.3574(3) 0.17172(10) 0.0342(10) Uani 1 1 d . . .
H36 H 0.1740 0.3455 0.1530 0.041 Uiso 1 1 calc R . .
C44 C 0.7874(5) 0.5564(3) 0.21821(11) 0.0401(11) Uani 1 1 d . . .
H44 H 0.8609 0.5241 0.2273 0.048 Uiso 1 1 calc R . .
C45 C 0.6807(5) 0.5880(3) 0.23911(10) 0.0397(11) Uani 1 1 d . . .
H45 H 0.6857 0.5744 0.2617 0.048 Uiso 1 1 calc R . .
C39 C 0.3762(4) 0.3880(3) 0.22753(10) 0.0369(10) Uani 1 1 d . . .
H39 H 0.4265 0.3987 0.2466 0.044 Uiso 1 1 calc R . .
C37 C 0.1827(5) 0.3278(4) 0.20210(11) 0.0468(13) Uani 1 1 d . . .
H37 H 0.1021 0.2979 0.2037 0.056 Uiso 1 1 calc R . .
C20 C 0.6817(5) 0.5598(3) 0.01900(11) 0.0406(11) Uani 1 1 d . . .
H20A H 0.6059 0.5583 0.0051 0.061 Uiso 1 1 calc R . .
H20B H 0.6837 0.4955 0.0333 0.061 Uiso 1 1 calc R . .
H20C H 0.7542 0.5586 0.0055 0.061 Uiso 1 1 calc R . .
C38 C 0.2591(5) 0.3430(3) 0.22980(11) 0.0405(11) Uani 1 1 d . . .
H38 H 0.2305 0.3223 0.2503 0.049 Uiso 1 1 calc R . .
C18 C 0.6400(5) 0.9742(3) 0.05314(13) 0.0499(13) Uani 1 1 d . . .
H18A H 0.6413 1.0046 0.0751 0.075 Uiso 1 1 calc R . .
H18B H 0.5588 0.9876 0.0424 0.075 Uiso 1 1 calc R . .
H18C H 0.7044 1.0097 0.0408 0.075 Uiso 1 1 calc R . .
C24 C 0.5645(4) 0.3659(3) 0.08600(10) 0.0317(9) Uani 1 1 d . . .
H24 H 0.5082 0.3931 0.0697 0.038 Uiso 1 1 calc R . .
C21 C 0.7975(4) 0.5855(4) 0.09339(11) 0.0408(11) Uani 1 1 d . . .
H21A H 0.8586 0.6194 0.1085 0.061 Uiso 1 1 calc R . .
H21B H 0.8393 0.5338 0.0794 0.061 Uiso 1 1 calc R . .
H21C H 0.7355 0.5463 0.1056 0.061 Uiso 1 1 calc R . .
C34 C 0.3118(4) 0.2472(3) 0.10328(9) 0.0297(9) Uani 1 1 d . . .
H34 H 0.3868 0.2210 0.1133 0.036 Uiso 1 1 calc R . .
C26 C 0.7565(5) 0.2661(4) 0.10071(14) 0.0500(14) Uani 1 1 d . . .
H26 H 0.8275 0.2259 0.0949 0.060 Uiso 1 1 calc R . .
C27 C 0.7354(5) 0.2895(4) 0.13399(13) 0.0570(14) Uani 1 1 d . . .
H27 H 0.7932 0.2644 0.1503 0.068 Uiso 1 1 calc R . .
C41 C 0.5606(4) 0.6550(3) 0.19131(9) 0.0261(9) Uani 1 1 d . . .
C25 C 0.6715(4) 0.3031(3) 0.07701(12) 0.0408(11) Uani 1 1 d . . .
H25 H 0.6836 0.2871 0.0549 0.049 Uiso 1 1 calc R . .
C43 C 0.7728(4) 0.5766(4) 0.18549(10) 0.0391(11) Uani 1 1 d . . .
H43 H 0.8392 0.5571 0.1723 0.047 Uiso 1 1 calc R . .
C29 C 0.2855(4) 0.3631(3) 0.10227(8) 0.0247(9) Uani 1 1 d . . .
Cl2 Cl 1.06591(16) 0.40810(12) 0.29311(4) 0.0740(5) Uani 1 1 d . . .
Cl3 Cl 0.97543(16) 0.56870(12) 0.34070(4) 0.0679(4) Uani 1 1 d . . .
C61 C 0.9666(7) 0.4265(5) 0.32170(16) 0.0748(18) Uani 1 1 d . . .
H61A H 0.9823 0.3709 0.3388 0.090 Uiso 1 1 calc R . .
H61B H 0.8816 0.4146 0.3124 0.090 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 C13 2.162(3) . ?
Rh1 C17 2.180(4) . ?
Rh1 C14 2.192(4) . ?
Rh1 C15 2.196(3) . ?
Rh1 C16 2.209(4) . ?
Rh1 S1 2.3327(9) . ?
Rh1 S2 2.3564(9) . ?
Rh1 Rh2 2.7389(4) . ?
Rh2 P2 2.3144(9) . ?
Rh2 P1 2.3285(9) . ?
Rh2 S2 2.3777(8) . ?
Rh2 S1 2.4227(8) . ?
Rh2 Cl1 2.6789(10) . ?
S2 B12 1.895(4) . ?
S1 B9 1.877(5) . ?
Cl1 B8 1.843(4) . ?
P2 C41 1.826(4) . ?
P2 C47 1.834(4) . ?
P2 C53 1.849(4) . ?
P1 C35 1.836(4) . ?
P1 C23 1.844(4) . ?
P1 C29 1.856(4) . ?
C48 C49 1.322(6) . ?
C48 C47 1.393(6) . ?
C48 H48 0.9300 . ?
B12 B11 1.769(5) . ?
B12 B10 1.778(5) . ?
B12 B9 1.785(5) . ?
B12 B7 1.813(6) . ?
B12 B8 1.832(6) . ?
B7 C2 1.650(5) . ?
B7 B11 1.801(6) . ?
B7 B8 1.863(6) . ?
B7 H7 1.1000 . ?
B7 H8 1.5415 . ?
C13 C17 1.410(6) . ?
C13 C14 1.462(5) . ?
C13 C18 1.489(6) . ?
C17 C16 1.460(5) . ?
C17 C22 1.481(5) . ?
B9 B4 1.753(6) . ?
B9 B10 1.773(5) . ?
B9 B5 1.802(6) . ?
B9 B8 1.829(6) . ?
B8 B5 1.782(5) . ?
B8 H8 1.3036 . ?
C2 C1 1.570(5) . ?
C2 B11 1.703(6) . ?
C2 B3 1.709(5) . ?
C2 H2 1.1000 . ?
B3 C1 1.726(5) . ?
B3 B10 1.736(6) . ?
B3 B11 1.753(5) . ?
B3 B4 1.775(6) . ?
B3 H3 1.1000 . ?
C47 C52 1.401(5) . ?
C33 C34 1.382(5) . ?
C33 C32 1.390(5) . ?
C33 H33 0.9300 . ?
C1 B5 1.640(5) . ?
C1 B4 1.739(6) . ?
C1 H1 1.1000 . ?
C16 C15 1.421(5) . ?
C16 C21 1.518(5) . ?
C30 C31 1.364(5) . ?
C30 C29 1.391(6) . ?
C30 H30 0.9300 . ?
C52 C51 1.315(6) . ?
C52 H52 0.9300 . ?
C31 C32 1.368(5) . ?
C31 H31 0.9300 . ?
C55 C54 1.414(5) . ?
C55 C56 1.422(7) . ?
C55 H55 0.9300 . ?
C32 H32 0.9300 . ?
C57 C56 1.342(7) . ?
C57 C58 1.417(5) . ?
C57 H57 0.9300 . ?
B11 B10 1.737(6) . ?
B11 H11 1.1000 . ?
C14 C15 1.416(5) . ?
C14 C19 1.496(6) . ?
C40 C35 1.409(6) . ?
C40 C39 1.415(6) . ?
C40 H40 0.9300 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C58 C53 1.373(6) . ?
C58 H58 0.9300 . ?
B5 B4 1.816(6) . ?
B5 H5 1.1000 . ?
C54 C53 1.388(6) . ?
C54 H54 0.9300 . ?
C28 C27 1.371(6) . ?
C28 C23 1.387(6) . ?
C28 H28 0.9300 . ?
C15 C20 1.493(5) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C49 C50 1.435(6) . ?
C49 H49 0.9300 . ?
C23 C24 1.399(6) . ?
C51 C50 1.452(7) . ?
C51 H51 0.9300 . ?
B4 B10 1.724(5) . ?
B4 H4 1.1000 . ?
C50 H50 0.9300 . ?
B10 H10 1.1000 . ?
C35 C36 1.397(6) . ?
C42 C43 1.356(6) . ?
C42 C41 1.503(6) . ?
C42 H42 0.9300 . ?
C56 H56 0.9300 . ?
C46 C45 1.372(6) . ?
C46 C41 1.377(5) . ?
C46 H46 0.9300 . ?
C36 C37 1.378(6) . ?
C36 H36 0.9300 . ?
C44 C43 1.350(6) . ?
C44 C45 1.488(6) . ?
C44 H44 0.9300 . ?
C45 H45 0.9300 . ?
C39 C38 1.357(6) . ?
C39 H39 0.9300 . ?
C37 C38 1.367(7) . ?
C37 H37 0.9300 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C38 H38 0.9300 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C24 C25 1.417(6) . ?
C24 H24 0.9300 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C34 C29 1.411(5) . ?
C34 H34 0.9300 . ?
C26 C25 1.362(7) . ?
C26 C27 1.404(7) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C25 H25 0.9300 . ?
C43 H43 0.9300 . ?
Cl2 C61 1.611(6) . ?
Cl3 C61 1.863(6) . ?
C61 H61A 0.9700 . ?
C61 H61B 0.9700 . ?

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 Rh1 C17 37.91(15) . . ?
C13 Rh1 C14 39.24(14) . . ?
C17 Rh1 C14 64.16(15) . . ?
C13 Rh1 C15 64.62(13) . . ?
C17 Rh1 C15 64.44(14) . . ?
C14 Rh1 C15 37.66(13) . . ?
C13 Rh1 C16 64.00(14) . . ?
C17 Rh1 C16 38.85(14) . . ?
C14 Rh1 C16 63.02(14) . . ?
C15 Rh1 C16 37.64(13) . . ?
C13 Rh1 S1 101.75(10) . . ?
C17 Rh1 S1 110.63(10) . . ?
C14 Rh1 S1 126.36(9) . . ?
C15 Rh1 S1 163.98(9) . . ?
C16 Rh1 S1 145.78(10) . . ?
C13 Rh1 S2 152.92(12) . . ?
C17 Rh1 S2 162.05(11) . . ?
C14 Rh1 S2 117.18(11) . . ?
C15 Rh1 S2 104.96(10) . . ?
C16 Rh1 S2 124.04(10) . . ?
S1 Rh1 S2 83.41(3) . . ?
C13 Rh1 Rh2 148.38(10) . . ?
C17 Rh1 Rh2 122.88(10) . . ?
C14 Rh1 Rh2 172.16(11) . . ?
C15 Rh1 Rh2 139.54(9) . . ?
C16 Rh1 Rh2 119.56(9) . . ?
S1 Rh1 Rh2 56.39(2) . . ?
S2 Rh1 Rh2 55.02(2) . . ?
P2 Rh2 P1 99.98(3) . . ?
P2 Rh2 S2 166.45(4) . . ?
P1 Rh2 S2 86.57(3) . . ?
P2 Rh2 S1 90.98(3) . . ?
P1 Rh2 S1 166.31(3) . . ?
S2 Rh2 S1 81.06(3) . . ?
P2 Rh2 Cl1 97.16(3) . . ?
P1 Rh2 Cl1 100.89(3) . . ?
S2 Rh2 Cl1 93.19(3) . . ?
S1 Rh2 Cl1 85.71(3) . . ?
P2 Rh2 Rh1 112.18(3) . . ?
P1 Rh2 Rh1 114.22(3) . . ?
S2 Rh2 Rh1 54.29(2) . . ?
S1 Rh2 Rh1 53.31(2) . . ?
Cl1 Rh2 Rh1 127.97(2) . . ?
B12 S2 Rh1 105.82(12) . . ?
B12 S2 Rh2 98.59(12) . . ?
Rh1 S2 Rh2 70.69(2) . . ?
B9 S1 Rh1 105.17(12) . . ?
B9 S1 Rh2 100.43(12) . . ?
Rh1 S1 Rh2 70.30(2) . . ?
B8 Cl1 Rh2 93.01(15) . . ?
C41 P2 C47 100.57(18) . . ?
C41 P2 C53 101.72(18) . . ?
C47 P2 C53 97.08(17) . . ?
C41 P2 Rh2 117.28(12) . . ?
C47 P2 Rh2 117.92(14) . . ?
C53 P2 Rh2 118.70(12) . . ?
C35 P1 C23 105.72(18) . . ?
C35 P1 C29 96.11(16) . . ?
C23 P1 C29 98.33(17) . . ?
C35 P1 Rh2 118.28(11) . . ?
C23 P1 Rh2 118.20(11) . . ?
C29 P1 Rh2 116.37(12) . . ?
C49 C48 C47 121.2(4) . . ?
C49 C48 H48 119.4 . . ?
C47 C48 H48 119.4 . . ?
B11 B12 B10 58.6(2) . . ?
B11 B12 B9 107.6(3) . . ?
B10 B12 B9 59.7(2) . . ?
B11 B12 B7 60.3(2) . . ?
B10 B12 B7 107.4(3) . . ?
B9 B12 B7 109.7(3) . . ?
B11 B12 B8 109.2(3) . . ?
B10 B12 B8 108.0(3) . . ?
B9 B12 B8 60.7(2) . . ?
B7 B12 B8 61.4(2) . . ?
B11 B12 S2 128.1(3) . . ?
B10 B12 S2 116.5(3) . . ?
B9 B12 S2 110.7(3) . . ?
B7 B12 S2 130.9(3) . . ?
B8 B12 S2 119.6(2) . . ?
C2 B7 B11 58.9(2) . . ?
C2 B7 B12 102.1(3) . . ?
B11 B7 B12 58.6(2) . . ?
C2 B7 B8 101.3(3) . . ?
B11 B7 B8 106.5(3) . . ?
B12 B7 B8 59.8(2) . . ?
C2 B7 H7 117.7 . . ?
B11 B7 H7 137.2 . . ?
B12 B7 H7 139.5 . . ?
B8 B7 H7 115.4 . . ?
C2 B7 H8 93.0 . . ?
B11 B7 H8 137.3 . . ?
B12 B7 H8 103.6 . . ?
B8 B7 H8 43.8 . . ?
H7 B7 H8 82.8 . . ?
C17 C13 C14 107.8(3) . . ?
C17 C13 C18 125.9(4) . . ?
C14 C13 C18 126.2(4) . . ?
C17 C13 Rh1 71.7(2) . . ?
C14 C13 Rh1 71.5(2) . . ?
C18 C13 Rh1 125.8(3) . . ?
C13 C17 C16 107.6(3) . . ?
C13 C17 C22 126.5(4) . . ?
C16 C17 C22 125.3(4) . . ?
C13 C17 Rh1 70.4(2) . . ?
C16 C17 Rh1 71.6(2) . . ?
C22 C17 Rh1 130.5(3) . . ?
B4 B9 B10 58.5(2) . . ?
B4 B9 B12 107.5(3) . . ?
B10 B9 B12 60.0(2) . . ?
B4 B9 B5 61.4(2) . . ?
B10 B9 B5 107.1(3) . . ?
B12 B9 B5 107.3(3) . . ?
B4 B9 B8 108.8(3) . . ?
B10 B9 B8 108.4(3) . . ?
B12 B9 B8 60.9(2) . . ?
B5 B9 B8 58.8(2) . . ?
B4 B9 S1 132.3(3) . . ?
B10 B9 S1 121.5(3) . . ?
B12 B9 S1 110.6(3) . . ?
B5 B9 S1 128.6(2) . . ?
B8 B9 S1 114.3(2) . . ?
B5 B8 B9 59.8(2) . . ?
B5 B8 B12 106.1(3) . . ?
B9 B8 B12 58.4(2) . . ?
B5 B8 Cl1 122.9(3) . . ?
B9 B8 Cl1 118.0(3) . . ?
B12 B8 Cl1 119.4(3) . . ?
B5 B8 B7 107.1(3) . . ?
B9 B8 B7 105.7(3) . . ?
B12 B8 B7 58.8(2) . . ?
Cl1 B8 B7 124.9(2) . . ?
B5 B8 H8 92.7 . . ?
B9 B8 H8 142.2 . . ?
B12 B8 H8 113.7 . . ?
Cl1 B8 H8 98.3 . . ?
B7 B8 H8 54.9 . . ?
C1 C2 B7 113.5(3) . . ?
C1 C2 B11 111.8(3) . . ?
B7 C2 B11 64.9(2) . . ?
C1 C2 B3 63.3(2) . . ?
B7 C2 B3 118.1(3) . . ?
B11 C2 B3 61.8(2) . . ?
C1 C2 H2 109.3 . . ?
B7 C2 H2 105.6 . . ?
B11 C2 H2 138.0 . . ?
B3 C2 H2 135.0 . . ?
C2 B3 C1 54.4(2) . . ?
C2 B3 B10 103.0(3) . . ?
C1 B3 B10 102.1(3) . . ?
C2 B3 B11 58.9(2) . . ?
C1 B3 B11 102.4(3) . . ?
B10 B3 B11 59.7(2) . . ?
C2 B3 B4 103.8(3) . . ?
C1 B3 B4 59.5(2) . . ?
B10 B3 B4 58.8(2) . . ?
B11 B3 B4 107.7(3) . . ?
C2 B3 H3 125.7 . . ?
C1 B3 H3 126.4 . . ?
B10 B3 H3 124.5 . . ?
B11 B3 H3 122.4 . . ?
B4 B3 H3 121.9 . . ?
C48 C47 C52 115.5(4) . . ?
C48 C47 P2 120.4(3) . . ?
C52 C47 P2 123.9(3) . . ?
C34 C33 C32 120.1(3) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
C2 C1 B5 115.4(3) . . ?
C2 C1 B3 62.3(2) . . ?
B5 C1 B3 117.9(3) . . ?
C2 C1 B4 111.9(3) . . ?
B5 C1 B4 65.0(2) . . ?
B3 C1 B4 61.6(2) . . ?
C2 C1 H1 108.9 . . ?
B5 C1 H1 104.9 . . ?
B3 C1 H1 136.0 . . ?
B4 C1 H1 138.2 . . ?
C15 C16 C17 108.2(3) . . ?
C15 C16 C21 126.5(3) . . ?
C17 C16 C21 125.2(4) . . ?
C15 C16 Rh1 70.7(2) . . ?
C17 C16 Rh1 69.5(2) . . ?
C21 C16 Rh1 128.8(3) . . ?
C31 C30 C29 120.1(3) . . ?
C31 C30 H30 119.9 . . ?
C29 C30 H30 119.9 . . ?
C51 C52 C47 124.1(4) . . ?
C51 C52 H52 117.9 . . ?
C47 C52 H52 117.9 . . ?
C30 C31 C32 121.2(4) . . ?
C30 C31 H31 119.4 . . ?
C32 C31 H31 119.4 . . ?
C54 C55 C56 117.4(5) . . ?
C54 C55 H55 121.3 . . ?
C56 C55 H55 121.3 . . ?
C31 C32 C33 119.9(3) . . ?
C31 C32 H32 120.1 . . ?
C33 C32 H32 120.1 . . ?
C56 C57 C58 119.6(4) . . ?
C56 C57 H57 120.2 . . ?
C58 C57 H57 120.2 . . ?
C2 B11 B10 103.2(3) . . ?
C2 B11 B3 59.3(2) . . ?
B10 B11 B3 59.6(2) . . ?
C2 B11 B12 101.8(3) . . ?
B10 B11 B12 61.0(2) . . ?
B3 B11 B12 108.4(3) . . ?
C2 B11 B7 56.1(2) . . ?
B10 B11 B7 109.8(3) . . ?
B3 B11 B7 108.3(3) . . ?
B12 B11 B7 61.0(2) . . ?
C2 B11 H11 127.3 . . ?
B10 B11 H11 121.9 . . ?
B3 B11 H11 120.9 . . ?
B12 B11 H11 122.5 . . ?
B7 B11 H11 121.0 . . ?
C15 C14 C13 108.0(3) . . ?
C15 C14 C19 126.2(4) . . ?
C13 C14 C19 125.7(3) . . ?
C15 C14 Rh1 71.34(19) . . ?
C13 C14 Rh1 69.3(2) . . ?
C19 C14 Rh1 127.1(3) . . ?
C35 C40 C39 119.4(4) . . ?
C35 C40 H40 120.3 . . ?
C39 C40 H40 120.3 . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C53 C58 C57 120.8(4) . . ?
C53 C58 H58 119.6 . . ?
C57 C58 H58 119.6 . . ?
C1 B5 B8 102.6(3) . . ?
C1 B5 B9 102.8(3) . . ?
B8 B5 B9 61.4(2) . . ?
C1 B5 B4 60.1(2) . . ?
B8 B5 B4 108.1(3) . . ?
B9 B5 B4 57.9(2) . . ?
C1 B5 H5 116.8 . . ?
B8 B5 H5 113.9 . . ?
B9 B5 H5 139.6 . . ?
B4 B5 H5 137.0 . . ?
C53 C54 C55 121.0(4) . . ?
C53 C54 H54 119.5 . . ?
C55 C54 H54 119.5 . . ?
C27 C28 C23 120.8(4) . . ?
C27 C28 H28 119.6 . . ?
C23 C28 H28 119.6 . . ?
C58 C53 C54 119.3(4) . . ?
C58 C53 P2 118.5(3) . . ?
C54 C53 P2 122.2(3) . . ?
C14 C15 C16 108.3(3) . . ?
C14 C15 C20 124.7(4) . . ?
C16 C15 C20 126.8(3) . . ?
C14 C15 Rh1 71.0(2) . . ?
C16 C15 Rh1 71.6(2) . . ?
C20 C15 Rh1 126.4(3) . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C48 C49 C50 125.6(5) . . ?
C48 C49 H49 117.2 . . ?
C50 C49 H49 117.2 . . ?
C28 C23 C24 118.3(4) . . ?
C28 C23 P1 126.1(3) . . ?
C24 C23 P1 115.4(3) . . ?
C52 C51 C50 122.4(4) . . ?
C52 C51 H51 118.8 . . ?
C50 C51 H51 118.8 . . ?
B10 B4 C1 102.1(3) . . ?
B10 B4 B9 61.3(2) . . ?
C1 B4 B9 100.9(3) . . ?
B10 B4 B3 59.4(2) . . ?
C1 B4 B3 58.8(2) . . ?
B9 B4 B3 108.6(3) . . ?
B10 B4 B5 108.6(3) . . ?
C1 B4 B5 54.9(2) . . ?
B9 B4 B5 60.6(2) . . ?
B3 B4 B5 106.8(3) . . ?
B10 B4 H4 122.2 . . ?
C1 B4 H4 128.2 . . ?
B9 B4 H4 122.3 . . ?
B3 B4 H4 121.2 . . ?
B5 B4 H4 122.2 . . ?
C49 C50 C51 111.1(4) . . ?
C49 C50 H50 124.4 . . ?
C51 C50 H50 124.4 . . ?
B4 B10 B3 61.7(2) . . ?
B4 B10 B11 110.9(3) . . ?
B3 B10 B11 60.7(2) . . ?
B4 B10 B9 60.1(2) . . ?
B3 B10 B9 109.5(3) . . ?
B11 B10 B9 109.6(3) . . ?
B4 B10 B12 109.1(3) . . ?
B3 B10 B12 108.8(3) . . ?
B11 B10 B12 60.4(2) . . ?
B9 B10 B12 60.4(2) . . ?
B4 B10 H10 120.2 . . ?
B3 B10 H10 120.7 . . ?
B11 B10 H10 120.3 . . ?
B9 B10 H10 121.1 . . ?
B12 B10 H10 121.5 . . ?
C36 C35 C40 116.7(3) . . ?
C36 C35 P1 121.0(3) . . ?
C40 C35 P1 122.1(3) . . ?
C43 C42 C41 118.1(4) . . ?
C43 C42 H42 121.0 . . ?
C41 C42 H42 121.0 . . ?
C57 C56 C55 121.6(4) . . ?
C57 C56 H56 119.2 . . ?
C55 C56 H56 119.2 . . ?
C45 C46 C41 122.2(4) . . ?
C45 C46 H46 118.9 . . ?
C41 C46 H46 118.9 . . ?
C37 C36 C35 122.9(4) . . ?
C37 C36 H36 118.5 . . ?
C35 C36 H36 118.5 . . ?
C43 C44 C45 117.1(4) . . ?
C43 C44 H44 121.5 . . ?
C45 C44 H44 121.5 . . ?
C46 C45 C44 119.7(4) . . ?
C46 C45 H45 120.1 . . ?
C44 C45 H45 120.1 . . ?
C38 C39 C40 121.1(4) . . ?
C38 C39 H39 119.4 . . ?
C40 C39 H39 119.4 . . ?
C38 C37 C36 119.4(5) . . ?
C38 C37 H37 120.3 . . ?
C36 C37 H37 120.3 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C39 C38 C37 120.4(4) . . ?
C39 C38 H38 119.8 . . ?
C37 C38 H38 119.8 . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C23 C24 C25 120.4(4) . . ?
C23 C24 H24 119.8 . . ?
C25 C24 H24 119.8 . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C33 C34 C29 119.4(4) . . ?
C33 C34 H34 120.3 . . ?
C29 C34 H34 120.3 . . ?
C25 C26 C27 119.1(4) . . ?
C25 C26 H26 120.5 . . ?
C27 C26 H26 120.5 . . ?
C28 C27 C26 121.2(5) . . ?
C28 C27 H27 119.4 . . ?
C26 C27 H27 119.4 . . ?
C46 C41 C42 117.8(4) . . ?
C46 C41 P2 127.5(3) . . ?
C42 C41 P2 114.7(3) . . ?
C26 C25 C24 120.1(5) . . ?
C26 C25 H25 120.0 . . ?
C24 C25 H25 120.0 . . ?
C44 C43 C42 125.1(4) . . ?
C44 C43 H43 117.4 . . ?
C42 C43 H43 117.4 . . ?
C30 C29 C34 119.2(3) . . ?
C30 C29 P1 123.0(3) . . ?
C34 C29 P1 117.3(3) . . ?
Cl2 C61 Cl3 113.5(3) . . ?
Cl2 C61 H61A 108.9 . . ?
Cl3 C61 H61A 108.9 . . ?
Cl2 C61 H61B 108.9 . . ?
Cl3 C61 H61B 108.9 . . ?
H61A C61 H61B 107.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C13 Rh1 Rh2 P2 -21.5(2) . . . . ?
C17 Rh1 Rh2 P2 20.55(13) . . . . ?
C14 Rh1 Rh2 P2 173.3(7) . . . . ?
C15 Rh1 Rh2 P2 108.61(16) . . . . ?
C16 Rh1 Rh2 P2 66.16(12) . . . . ?
S1 Rh1 Rh2 P2 -73.70(4) . . . . ?
S2 Rh1 Rh2 P2 179.03(4) . . . . ?
C13 Rh1 Rh2 P1 -134.4(2) . . . . ?
C17 Rh1 Rh2 P1 -92.31(13) . . . . ?
C14 Rh1 Rh2 P1 60.4(7) . . . . ?
C15 Rh1 Rh2 P1 -4.26(16) . . . . ?
C16 Rh1 Rh2 P1 -46.70(12) . . . . ?
S1 Rh1 Rh2 P1 173.44(4) . . . . ?
S2 Rh1 Rh2 P1 66.16(4) . . . . ?
C13 Rh1 Rh2 S2 159.4(2) . . . . ?
C17 Rh1 Rh2 S2 -158.47(13) . . . . ?
C14 Rh1 Rh2 S2 -5.7(7) . . . . ?
C15 Rh1 Rh2 S2 -70.42(16) . . . . ?
C16 Rh1 Rh2 S2 -112.86(12) . . . . ?
S1 Rh1 Rh2 S2 107.28(4) . . . . ?
C13 Rh1 Rh2 S1 52.2(2) . . . . ?
C17 Rh1 Rh2 S1 94.25(13) . . . . ?
C14 Rh1 Rh2 S1 -113.0(7) . . . . ?
C15 Rh1 Rh2 S1 -177.69(16) . . . . ?
C16 Rh1 Rh2 S1 139.86(12) . . . . ?
S2 Rh1 Rh2 S1 -107.28(4) . . . . ?
C13 Rh1 Rh2 Cl1 97.7(2) . . . . ?
C17 Rh1 Rh2 Cl1 139.83(13) . . . . ?
C14 Rh1 Rh2 Cl1 -67.4(7) . . . . ?
C15 Rh1 Rh2 Cl1 -132.11(16) . . . . ?
C16 Rh1 Rh2 Cl1 -174.56(12) . . . . ?
S1 Rh1 Rh2 Cl1 45.58(4) . . . . ?
S2 Rh1 Rh2 Cl1 -61.70(4) . . . . ?
C13 Rh1 S2 B12 -62.4(3) . . . . ?
C17 Rh1 S2 B12 -176.9(3) . . . . ?
C14 Rh1 S2 B12 -87.13(17) . . . . ?
C15 Rh1 S2 B12 -125.51(16) . . . . ?
C16 Rh1 S2 B12 -161.55(17) . . . . ?
S1 Rh1 S2 B12 40.56(13) . . . . ?
Rh2 Rh1 S2 B12 93.74(13) . . . . ?
C13 Rh1 S2 Rh2 -156.1(2) . . . . ?
C17 Rh1 S2 Rh2 89.4(3) . . . . ?
C14 Rh1 S2 Rh2 179.12(11) . . . . ?
C15 Rh1 S2 Rh2 140.75(10) . . . . ?
C16 Rh1 S2 Rh2 104.71(11) . . . . ?
S1 Rh1 S2 Rh2 -53.18(2) . . . . ?
P2 Rh2 S2 B12 -107.69(18) . . . . ?
P1 Rh2 S2 B12 132.85(13) . . . . ?
S1 Rh2 S2 B12 -53.02(13) . . . . ?
Cl1 Rh2 S2 B12 32.12(13) . . . . ?
Rh1 Rh2 S2 B12 -103.84(13) . . . . ?
P2 Rh2 S2 Rh1 -3.85(14) . . . . ?
P1 Rh2 S2 Rh1 -123.31(3) . . . . ?
S1 Rh2 S2 Rh1 50.81(3) . . . . ?
Cl1 Rh2 S2 Rh1 135.96(2) . . . . ?
C13 Rh1 S1 B9 109.16(18) . . . . ?
C17 Rh1 S1 B9 147.64(17) . . . . ?
C14 Rh1 S1 B9 75.17(19) . . . . ?
C15 Rh1 S1 B9 78.7(4) . . . . ?
C16 Rh1 S1 B9 169.8(2) . . . . ?
S2 Rh1 S1 B9 -43.90(13) . . . . ?
Rh2 Rh1 S1 B9 -95.86(13) . . . . ?
C13 Rh1 S1 Rh2 -154.98(12) . . . . ?
C17 Rh1 S1 Rh2 -116.50(11) . . . . ?
C14 Rh1 S1 Rh2 171.03(14) . . . . ?
C15 Rh1 S1 Rh2 174.6(4) . . . . ?
C16 Rh1 S1 Rh2 -94.35(17) . . . . ?
S2 Rh1 S1 Rh2 51.96(2) . . . . ?
P2 Rh2 S1 B9 -140.22(13) . . . . ?
P1 Rh2 S1 B9 76.4(2) . . . . ?
S2 Rh2 S1 B9 50.80(13) . . . . ?
Cl1 Rh2 S1 B9 -43.11(13) . . . . ?
Rh1 Rh2 S1 B9 102.51(13) . . . . ?
P2 Rh2 S1 Rh1 117.27(3) . . . . ?
P1 Rh2 S1 Rh1 -26.14(15) . . . . ?
S2 Rh2 S1 Rh1 -51.71(3) . . . . ?
Cl1 Rh2 S1 Rh1 -145.62(3) . . . . ?
P2 Rh2 Cl1 B8 135.66(12) . . . . ?
P1 Rh2 Cl1 B8 -122.68(12) . . . . ?
S2 Rh2 Cl1 B8 -35.57(12) . . . . ?
S1 Rh2 Cl1 B8 45.21(12) . . . . ?
Rh1 Rh2 Cl1 B8 10.16(13) . . . . ?
P1 Rh2 P2 C41 43.47(14) . . . . ?
S2 Rh2 P2 C41 -74.6(2) . . . . ?
S1 Rh2 P2 C41 -128.30(14) . . . . ?
Cl1 Rh2 P2 C41 145.91(14) . . . . ?
Rh1 Rh2 P2 C41 -77.97(14) . . . . ?
P1 Rh2 P2 C47 -76.98(13) . . . . ?
S2 Rh2 P2 C47 164.96(17) . . . . ?
S1 Rh2 P2 C47 111.25(13) . . . . ?
Cl1 Rh2 P2 C47 25.46(13) . . . . ?
Rh1 Rh2 P2 C47 161.59(13) . . . . ?
P1 Rh2 P2 C53 166.34(17) . . . . ?
S2 Rh2 P2 C53 48.3(2) . . . . ?
S1 Rh2 P2 C53 -5.42(17) . . . . ?
Cl1 Rh2 P2 C53 -91.22(17) . . . . ?
Rh1 Rh2 P2 C53 44.91(17) . . . . ?
P2 Rh2 P1 C35 35.29(17) . . . . ?
S2 Rh2 P1 C35 -156.66(16) . . . . ?
S1 Rh2 P1 C35 178.05(19) . . . . ?
Cl1 Rh2 P1 C35 -64.07(16) . . . . ?
Rh1 Rh2 P1 C35 155.26(16) . . . . ?
P2 Rh2 P1 C23 -94.32(15) . . . . ?
S2 Rh2 P1 C23 73.73(15) . . . . ?
S1 Rh2 P1 C23 48.4(2) . . . . ?
Cl1 Rh2 P1 C23 166.32(15) . . . . ?
Rh1 Rh2 P1 C23 25.65(15) . . . . ?
P2 Rh2 P1 C29 148.98(14) . . . . ?
S2 Rh2 P1 C29 -42.98(14) . . . . ?
S1 Rh2 P1 C29 -68.3(2) . . . . ?
Cl1 Rh2 P1 C29 49.61(14) . . . . ?
Rh1 Rh2 P1 C29 -91.06(14) . . . . ?
Rh1 S2 B12 B11 107.5(3) . . . . ?
Rh2 S2 B12 B11 179.8(3) . . . . ?
Rh1 S2 B12 B10 38.0(3) . . . . ?
Rh2 S2 B12 B10 110.2(2) . . . . ?
Rh1 S2 B12 B9 -27.6(3) . . . . ?
Rh2 S2 B12 B9 44.7(2) . . . . ?
Rh1 S2 B12 B7 -171.2(3) . . . . ?
Rh2 S2 B12 B7 -98.9(3) . . . . ?
Rh1 S2 B12 B8 -94.8(3) . . . . ?
Rh2 S2 B12 B8 -22.5(3) . . . . ?
B11 B12 B7 C2 -41.5(2) . . . . ?
B10 B12 B7 C2 -5.2(4) . . . . ?
B9 B12 B7 C2 58.0(3) . . . . ?
B8 B12 B7 C2 96.2(3) . . . . ?
S2 B12 B7 C2 -158.0(3) . . . . ?
B10 B12 B7 B11 36.3(3) . . . . ?
B9 B12 B7 B11 99.6(3) . . . . ?
B8 B12 B7 B11 137.7(3) . . . . ?
S2 B12 B7 B11 -116.5(4) . . . . ?
B11 B12 B7 B8 -137.7(3) . . . . ?
B10 B12 B7 B8 -101.4(3) . . . . ?
B9 B12 B7 B8 -38.2(3) . . . . ?
S2 B12 B7 B8 105.8(3) . . . . ?
C14 Rh1 C13 C17 -116.8(3) . . . . ?
C15 Rh1 C13 C17 -80.3(2) . . . . ?
C16 Rh1 C13 C17 -38.4(2) . . . . ?
S1 Rh1 C13 C17 108.6(2) . . . . ?
S2 Rh1 C13 C17 -152.8(2) . . . . ?
Rh2 Rh1 C13 C17 66.4(3) . . . . ?
C17 Rh1 C13 C14 116.8(3) . . . . ?
C15 Rh1 C13 C14 36.5(2) . . . . ?
C16 Rh1 C13 C14 78.4(2) . . . . ?
S1 Rh1 C13 C14 -134.6(2) . . . . ?
S2 Rh1 C13 C14 -36.0(4) . . . . ?
Rh2 Rh1 C13 C14 -176.83(17) . . . . ?
C17 Rh1 C13 C18 -121.5(5) . . . . ?
C14 Rh1 C13 C18 121.7(5) . . . . ?
C15 Rh1 C13 C18 158.2(4) . . . . ?
C16 Rh1 C13 C18 -159.9(4) . . . . ?
S1 Rh1 C13 C18 -12.9(4) . . . . ?
S2 Rh1 C13 C18 85.7(4) . . . . ?
Rh2 Rh1 C13 C18 -55.1(5) . . . . ?
C14 C13 C17 C16 -0.4(4) . . . . ?
C18 C13 C17 C16 -176.2(4) . . . . ?
Rh1 C13 C17 C16 62.4(3) . . . . ?
C14 C13 C17 C22 170.8(4) . . . . ?
C18 C13 C17 C22 -5.0(6) . . . . ?
Rh1 C13 C17 C22 -126.5(4) . . . . ?
C14 C13 C17 Rh1 -62.8(3) . . . . ?
C18 C13 C17 Rh1 121.5(4) . . . . ?
C14 Rh1 C17 C13 38.9(2) . . . . ?
C15 Rh1 C17 C13 80.8(2) . . . . ?
C16 Rh1 C17 C13 117.2(3) . . . . ?
S1 Rh1 C17 C13 -82.6(2) . . . . ?
S2 Rh1 C17 C13 137.6(3) . . . . ?
Rh2 Rh1 C17 C13 -145.12(18) . . . . ?
C13 Rh1 C17 C16 -117.2(3) . . . . ?
C14 Rh1 C17 C16 -78.3(2) . . . . ?
C15 Rh1 C17 C16 -36.34(19) . . . . ?
S1 Rh1 C17 C16 160.25(17) . . . . ?
S2 Rh1 C17 C16 20.4(4) . . . . ?
Rh2 Rh1 C17 C16 97.70(19) . . . . ?
C13 Rh1 C17 C22 121.7(5) . . . . ?
C14 Rh1 C17 C22 160.6(4) . . . . ?
C15 Rh1 C17 C22 -157.5(4) . . . . ?
C16 Rh1 C17 C22 -121.1(5) . . . . ?
S1 Rh1 C17 C22 39.1(4) . . . . ?
S2 Rh1 C17 C22 -100.7(4) . . . . ?
Rh2 Rh1 C17 C22 -23.4(4) . . . . ?
B11 B12 B9 B4 0.4(4) . . . . ?
B10 B12 B9 B4 35.4(3) . . . . ?
B7 B12 B9 B4 -63.7(4) . . . . ?
B8 B12 B9 B4 -102.2(3) . . . . ?
S2 B12 B9 B4 144.7(3) . . . . ?
B11 B12 B9 B10 -35.0(3) . . . . ?
B7 B12 B9 B10 -99.1(3) . . . . ?
B8 B12 B9 B10 -137.6(3) . . . . ?
S2 B12 B9 B10 109.3(3) . . . . ?
B11 B12 B9 B5 65.1(3) . . . . ?
B10 B12 B9 B5 100.2(3) . . . . ?
B7 B12 B9 B5 1.1(4) . . . . ?
B8 B12 B9 B5 -37.4(3) . . . . ?
S2 B12 B9 B5 -150.5(2) . . . . ?
B11 B12 B9 B8 102.5(3) . . . . ?
B10 B12 B9 B8 137.6(3) . . . . ?
B7 B12 B9 B8 38.5(3) . . . . ?
S2 B12 B9 B8 -113.1(3) . . . . ?
B11 B12 B9 S1 -150.4(3) . . . . ?
B10 B12 B9 S1 -115.3(3) . . . . ?
B7 B12 B9 S1 145.6(3) . . . . ?
B8 B12 B9 S1 107.1(3) . . . . ?
S2 B12 B9 S1 -6.0(3) . . . . ?
Rh1 S1 B9 B4 -103.6(3) . . . . ?
Rh2 S1 B9 B4 -175.8(3) . . . . ?
Rh1 S1 B9 B10 -29.2(3) . . . . ?
Rh2 S1 B9 B10 -101.5(3) . . . . ?
Rh1 S1 B9 B12 37.4(3) . . . . ?
Rh2 S1 B9 B12 -34.9(2) . . . . ?
Rh1 S1 B9 B5 172.2(3) . . . . ?
Rh2 S1 B9 B5 100.0(3) . . . . ?
Rh1 S1 B9 B8 103.8(2) . . . . ?
Rh2 S1 B9 B8 31.5(2) . . . . ?
B4 B9 B8 B5 -37.2(3) . . . . ?
B10 B9 B8 B5 -99.3(3) . . . . ?
B12 B9 B8 B5 -137.3(3) . . . . ?
S1 B9 B8 B5 121.8(3) . . . . ?
B4 B9 B8 B12 100.1(3) . . . . ?
B10 B9 B8 B12 38.0(3) . . . . ?
B5 B9 B8 B12 137.3(3) . . . . ?
S1 B9 B8 B12 -100.9(3) . . . . ?
B4 B9 B8 Cl1 -150.9(3) . . . . ?
B10 B9 B8 Cl1 147.0(3) . . . . ?
B12 B9 B8 Cl1 109.0(3) . . . . ?
B5 B9 B8 Cl1 -113.7(3) . . . . ?
S1 B9 B8 Cl1 8.1(4) . . . . ?
B4 B9 B8 B7 63.8(3) . . . . ?
B10 B9 B8 B7 1.7(4) . . . . ?
B12 B9 B8 B7 -36.3(3) . . . . ?
B5 B9 B8 B7 101.0(3) . . . . ?
S1 B9 B8 B7 -137.3(3) . . . . ?
B11 B12 B8 B5 -62.3(3) . . . . ?
B10 B12 B8 B5 -0.1(4) . . . . ?
B9 B12 B8 B5 37.6(3) . . . . ?
B7 B12 B8 B5 -100.6(3) . . . . ?
S2 B12 B8 B5 136.1(3) . . . . ?
B11 B12 B8 B9 -99.9(3) . . . . ?
B10 B12 B8 B9 -37.8(3) . . . . ?
B7 B12 B8 B9 -138.2(3) . . . . ?
S2 B12 B8 B9 98.5(3) . . . . ?
B11 B12 B8 Cl1 153.5(3) . . . . ?
B10 B12 B8 Cl1 -144.4(3) . . . . ?
B9 B12 B8 Cl1 -106.6(3) . . . . ?
B7 B12 B8 Cl1 115.2(3) . . . . ?
S2 B12 B8 Cl1 -8.1(4) . . . . ?
B11 B12 B8 B7 38.2(3) . . . . ?
B10 B12 B8 B7 100.4(3) . . . . ?
B9 B12 B8 B7 138.2(3) . . . . ?
S2 B12 B8 B7 -123.3(3) . . . . ?
Rh2 Cl1 B8 B5 -108.5(3) . . . . ?
Rh2 Cl1 B8 B9 -38.0(3) . . . . ?
Rh2 Cl1 B8 B12 29.5(3) . . . . ?
Rh2 Cl1 B8 B7 100.1(3) . . . . ?
C2 B7 B8 B5 1.3(4) . . . . ?
B11 B7 B8 B5 62.0(4) . . . . ?
B12 B7 B8 B5 98.8(3) . . . . ?
C2 B7 B8 B9 -61.4(4) . . . . ?
B11 B7 B8 B9 -0.7(4) . . . . ?
B12 B7 B8 B9 36.1(3) . . . . ?
C2 B7 B8 B12 -97.5(3) . . . . ?
B11 B7 B8 B12 -36.8(3) . . . . ?
C2 B7 B8 Cl1 156.4(3) . . . . ?
B11 B7 B8 Cl1 -142.9(3) . . . . ?
B12 B7 B8 Cl1 -106.1(3) . . . . ?
B11 B7 C2 C1 -104.1(3) . . . . ?
B12 B7 C2 C1 -62.7(4) . . . . ?
B8 B7 C2 C1 -1.5(4) . . . . ?
B12 B7 C2 B11 41.3(3) . . . . ?
B8 B7 C2 B11 102.5(3) . . . . ?
B11 B7 C2 B3 -32.9(3) . . . . ?
B12 B7 C2 B3 8.5(4) . . . . ?
B8 B7 C2 B3 69.7(4) . . . . ?
B7 C2 B3 C1 -103.8(3) . . . . ?
B11 C2 B3 C1 -137.7(3) . . . . ?
C1 C2 B3 B10 95.7(3) . . . . ?
B7 C2 B3 B10 -8.1(4) . . . . ?
B11 C2 B3 B10 -42.0(2) . . . . ?
C1 C2 B3 B11 137.7(3) . . . . ?
B7 C2 B3 B11 33.9(3) . . . . ?
C1 C2 B3 B4 35.1(3) . . . . ?
B7 C2 B3 B4 -68.7(4) . . . . ?
B11 C2 B3 B4 -102.6(3) . . . . ?
C49 C48 C47 C52 -0.1(6) . . . . ?
C49 C48 C47 P2 174.4(3) . . . . ?
C41 P2 C47 C48 -103.3(3) . . . . ?
C53 P2 C47 C48 153.3(3) . . . . ?
Rh2 P2 C47 C48 25.5(4) . . . . ?
C41 P2 C47 C52 70.7(4) . . . . ?
C53 P2 C47 C52 -32.6(4) . . . . ?
Rh2 P2 C47 C52 -160.5(3) . . . . ?
B7 C2 C1 B5 1.3(5) . . . . ?
B11 C2 C1 B5 -69.9(4) . . . . ?
B3 C2 C1 B5 -109.6(3) . . . . ?
B7 C2 C1 B3 110.9(4) . . . . ?
B11 C2 C1 B3 39.7(3) . . . . ?
B7 C2 C1 B4 72.9(4) . . . . ?
B11 C2 C1 B4 1.8(4) . . . . ?
B3 C2 C1 B4 -37.9(3) . . . . ?
B10 B3 C1 C2 -97.4(3) . . . . ?
B11 B3 C1 C2 -36.2(3) . . . . ?
B4 B3 C1 C2 -139.6(3) . . . . ?
C2 B3 C1 B5 105.6(3) . . . . ?
B10 B3 C1 B5 8.2(4) . . . . ?
B11 B3 C1 B5 69.5(4) . . . . ?
B4 B3 C1 B5 -34.0(3) . . . . ?
C2 B3 C1 B4 139.6(3) . . . . ?
B10 B3 C1 B4 42.2(2) . . . . ?
B11 B3 C1 B4 103.4(3) . . . . ?
C13 C17 C16 C15 -1.1(4) . . . . ?
C22 C17 C16 C15 -172.4(4) . . . . ?
Rh1 C17 C16 C15 60.4(3) . . . . ?
C13 C17 C16 C21 174.8(4) . . . . ?
C22 C17 C16 C21 3.5(6) . . . . ?
Rh1 C17 C16 C21 -123.7(4) . . . . ?
C13 C17 C16 Rh1 -61.5(3) . . . . ?
C22 C17 C16 Rh1 127.2(4) . . . . ?
C13 Rh1 C16 C15 -81.5(2) . . . . ?
C17 Rh1 C16 C15 -118.9(3) . . . . ?
C14 Rh1 C16 C15 -37.4(2) . . . . ?
S1 Rh1 C16 C15 -153.14(17) . . . . ?
S2 Rh1 C16 C15 68.5(2) . . . . ?
Rh2 Rh1 C16 C15 134.19(18) . . . . ?
C13 Rh1 C16 C17 37.5(2) . . . . ?
C14 Rh1 C16 C17 81.5(2) . . . . ?
C15 Rh1 C16 C17 118.9(3) . . . . ?
S1 Rh1 C16 C17 -34.2(3) . . . . ?
S2 Rh1 C16 C17 -172.55(16) . . . . ?
Rh2 Rh1 C16 C17 -106.90(19) . . . . ?
C13 Rh1 C16 C21 156.7(4) . . . . ?
C17 Rh1 C16 C21 119.3(4) . . . . ?
C14 Rh1 C16 C21 -159.2(4) . . . . ?
C15 Rh1 C16 C21 -121.8(5) . . . . ?
S1 Rh1 C16 C21 85.0(4) . . . . ?
S2 Rh1 C16 C21 -53.3(4) . . . . ?
Rh2 Rh1 C16 C21 12.4(4) . . . . ?
C48 C47 C52 C51 0.6(6) . . . . ?
P2 C47 C52 C51 -173.7(3) . . . . ?
C29 C30 C31 C32 -1.1(5) . . . . ?
C30 C31 C32 C33 1.1(5) . . . . ?
C34 C33 C32 C31 -1.6(6) . . . . ?
C1 C2 B11 B10 1.6(3) . . . . ?
B7 C2 B11 B10 -105.2(3) . . . . ?
B3 C2 B11 B10 42.0(2) . . . . ?
C1 C2 B11 B3 -40.4(3) . . . . ?
B7 C2 B11 B3 -147.1(3) . . . . ?
C1 C2 B11 B12 64.2(3) . . . . ?
B7 C2 B11 B12 -42.6(3) . . . . ?
B3 C2 B11 B12 104.6(3) . . . . ?
C1 C2 B11 B7 106.7(3) . . . . ?
B3 C2 B11 B7 147.1(3) . . . . ?
C1 B3 B11 C2 34.1(2) . . . . ?
B10 B3 B11 C2 131.0(3) . . . . ?
B4 B3 B11 C2 95.7(3) . . . . ?
C2 B3 B11 B10 -131.0(3) . . . . ?
C1 B3 B11 B10 -96.9(3) . . . . ?
B4 B3 B11 B10 -35.3(3) . . . . ?
C2 B3 B11 B12 -93.0(3) . . . . ?
C1 B3 B11 B12 -59.0(3) . . . . ?
B10 B3 B11 B12 38.0(3) . . . . ?
B4 B3 B11 B12 2.7(4) . . . . ?
C2 B3 B11 B7 -28.3(3) . . . . ?
C1 B3 B11 B7 5.7(4) . . . . ?
B10 B3 B11 B7 102.7(3) . . . . ?
B4 B3 B11 B7 67.4(4) . . . . ?
B10 B12 B11 C2 -98.6(3) . . . . ?
B9 B12 B11 C2 -63.1(3) . . . . ?
B7 B12 B11 C2 39.9(2) . . . . ?
B8 B12 B11 C2 1.2(3) . . . . ?
S2 B12 B11 C2 160.7(3) . . . . ?
B9 B12 B11 B10 35.5(3) . . . . ?
B7 B12 B11 B10 138.6(3) . . . . ?
B8 B12 B11 B10 99.9(3) . . . . ?
S2 B12 B11 B10 -100.7(3) . . . . ?
B10 B12 B11 B3 -37.4(3) . . . . ?
B9 B12 B11 B3 -1.9(4) . . . . ?
B7 B12 B11 B3 101.2(3) . . . . ?
B8 B12 B11 B3 62.5(3) . . . . ?
S2 B12 B11 B3 -138.0(3) . . . . ?
B10 B12 B11 B7 -138.6(3) . . . . ?
B9 B12 B11 B7 -103.1(3) . . . . ?
B8 B12 B11 B7 -38.7(3) . . . . ?
S2 B12 B11 B7 120.8(3) . . . . ?
B12 B7 B11 C2 -130.8(3) . . . . ?
B8 B7 B11 C2 -93.5(3) . . . . ?
C2 B7 B11 B10 92.9(3) . . . . ?
B12 B7 B11 B10 -37.9(3) . . . . ?
B8 B7 B11 B10 -0.6(4) . . . . ?
C2 B7 B11 B3 29.4(3) . . . . ?
B12 B7 B11 B3 -101.4(3) . . . . ?
B8 B7 B11 B3 -64.1(4) . . . . ?
C2 B7 B11 B12 130.8(3) . . . . ?
B8 B7 B11 B12 37.3(3) . . . . ?
C17 C13 C14 C15 1.8(4) . . . . ?
C18 C13 C14 C15 177.6(4) . . . . ?
Rh1 C13 C14 C15 -61.1(3) . . . . ?
C17 C13 C14 C19 -175.6(4) . . . . ?
C18 C13 C14 C19 0.2(7) . . . . ?
Rh1 C13 C14 C19 121.5(4) . . . . ?
C17 C13 C14 Rh1 62.9(3) . . . . ?
C18 C13 C14 Rh1 -121.3(4) . . . . ?
C13 Rh1 C14 C15 118.5(3) . . . . ?
C17 Rh1 C14 C15 81.0(3) . . . . ?
C16 Rh1 C14 C15 37.4(2) . . . . ?
S1 Rh1 C14 C15 178.40(18) . . . . ?
S2 Rh1 C14 C15 -79.0(2) . . . . ?
Rh2 Rh1 C14 C15 -73.7(8) . . . . ?
C17 Rh1 C14 C13 -37.5(2) . . . . ?
C15 Rh1 C14 C13 -118.5(3) . . . . ?
C16 Rh1 C14 C13 -81.1(3) . . . . ?
S1 Rh1 C14 C13 59.9(3) . . . . ?
S2 Rh1 C14 C13 162.5(2) . . . . ?
Rh2 Rh1 C14 C13 167.8(6) . . . . ?
C13 Rh1 C14 C19 -119.8(4) . . . . ?
C17 Rh1 C14 C19 -157.4(4) . . . . ?
C15 Rh1 C14 C19 121.7(5) . . . . ?
C16 Rh1 C14 C19 159.1(4) . . . . ?
S1 Rh1 C14 C19 -59.9(4) . . . . ?
S2 Rh1 C14 C19 42.7(4) . . . . ?
Rh2 Rh1 C14 C19 47.9(9) . . . . ?
C56 C57 C58 C53 1.6(6) . . . . ?
C2 C1 B5 B8 -0.3(4) . . . . ?
B3 C1 B5 B8 -70.9(4) . . . . ?
B4 C1 B5 B8 -103.8(3) . . . . ?
C2 C1 B5 B9 62.8(4) . . . . ?
B3 C1 B5 B9 -7.8(4) . . . . ?
B4 C1 B5 B9 -40.7(2) . . . . ?
C2 C1 B5 B4 103.5(3) . . . . ?
B3 C1 B5 B4 32.9(3) . . . . ?
B9 B8 B5 C1 97.9(3) . . . . ?
B12 B8 B5 C1 60.9(3) . . . . ?
Cl1 B8 B5 C1 -156.4(3) . . . . ?
B7 B8 B5 C1 -0.7(4) . . . . ?
B12 B8 B5 B9 -37.0(3) . . . . ?
Cl1 B8 B5 B9 105.7(3) . . . . ?
B7 B8 B5 B9 -98.6(3) . . . . ?
B9 B8 B5 B4 35.5(3) . . . . ?
B12 B8 B5 B4 -1.4(4) . . . . ?
Cl1 B8 B5 B4 141.2(3) . . . . ?
B7 B8 B5 B4 -63.0(4) . . . . ?
B4 B9 B5 C1 41.8(3) . . . . ?
B10 B9 B5 C1 4.0(3) . . . . ?
B12 B9 B5 C1 -59.1(3) . . . . ?
B8 B9 B5 C1 -97.5(3) . . . . ?
S1 B9 B5 C1 164.9(3) . . . . ?
B4 B9 B5 B8 139.3(3) . . . . ?
B10 B9 B5 B8 101.5(3) . . . . ?
B12 B9 B5 B8 38.4(3) . . . . ?
S1 B9 B5 B8 -97.6(3) . . . . ?
B10 B9 B5 B4 -37.9(3) . . . . ?
B12 B9 B5 B4 -101.0(3) . . . . ?
B8 B9 B5 B4 -139.3(3) . . . . ?
S1 B9 B5 B4 123.1(4) . . . . ?
C56 C55 C54 C53 0.5(6) . . . . ?
C57 C58 C53 C54 -5.1(5) . . . . ?
C57 C58 C53 P2 175.1(3) . . . . ?
C55 C54 C53 C58 4.0(6) . . . . ?
C55 C54 C53 P2 -176.2(3) . . . . ?
C41 P2 C53 C58 -165.4(3) . . . . ?
C47 P2 C53 C58 -63.0(3) . . . . ?
Rh2 P2 C53 C58 64.3(3) . . . . ?
C41 P2 C53 C54 14.8(4) . . . . ?
C47 P2 C53 C54 117.2(3) . . . . ?
Rh2 P2 C53 C54 -115.5(3) . . . . ?
C13 C14 C15 C16 -2.5(4) . . . . ?
C19 C14 C15 C16 174.9(4) . . . . ?
Rh1 C14 C15 C16 -62.3(3) . . . . ?
C13 C14 C15 C20 -178.6(4) . . . . ?
C19 C14 C15 C20 -1.2(6) . . . . ?
Rh1 C14 C15 C20 121.6(4) . . . . ?
C13 C14 C15 Rh1 59.8(3) . . . . ?
C19 C14 C15 Rh1 -122.8(4) . . . . ?
C17 C16 C15 C14 2.3(4) . . . . ?
C21 C16 C15 C14 -173.6(4) . . . . ?
Rh1 C16 C15 C14 61.9(3) . . . . ?
C17 C16 C15 C20 178.2(4) . . . . ?
C21 C16 C15 C20 2.4(7) . . . . ?
Rh1 C16 C15 C20 -122.1(4) . . . . ?
C17 C16 C15 Rh1 -59.7(3) . . . . ?
C21 C16 C15 Rh1 124.5(4) . . . . ?
C13 Rh1 C15 C14 -38.0(2) . . . . ?
C17 Rh1 C15 C14 -80.2(3) . . . . ?
C16 Rh1 C15 C14 -117.6(3) . . . . ?
S1 Rh1 C15 C14 -4.7(5) . . . . ?
S2 Rh1 C15 C14 115.3(2) . . . . ?
Rh2 Rh1 C15 C14 168.35(19) . . . . ?
C13 Rh1 C15 C16 79.7(2) . . . . ?
C17 Rh1 C15 C16 37.5(2) . . . . ?
C14 Rh1 C15 C16 117.6(3) . . . . ?
S1 Rh1 C15 C16 113.0(4) . . . . ?
S2 Rh1 C15 C16 -127.03(19) . . . . ?
Rh2 Rh1 C15 C16 -74.0(3) . . . . ?
C13 Rh1 C15 C20 -157.6(4) . . . . ?
C17 Rh1 C15 C20 160.2(4) . . . . ?
C14 Rh1 C15 C20 -119.7(4) . . . . ?
C16 Rh1 C15 C20 122.7(4) . . . . ?
S1 Rh1 C15 C20 -124.3(4) . . . . ?
S2 Rh1 C15 C20 -4.3(4) . . . . ?
Rh2 Rh1 C15 C20 48.7(4) . . . . ?
C47 C48 C49 C50 0.6(7) . . . . ?
C27 C28 C23 C24 -0.9(6) . . . . ?
C27 C28 C23 P1 174.3(4) . . . . ?
C35 P1 C23 C28 -26.9(4) . . . . ?
C29 P1 C23 C28 -125.7(4) . . . . ?
Rh2 P1 C23 C28 108.3(3) . . . . ?
C35 P1 C23 C24 148.4(3) . . . . ?
C29 P1 C23 C24 49.6(3) . . . . ?
Rh2 P1 C23 C24 -76.4(3) . . . . ?
C47 C52 C51 C50 -1.5(7) . . . . ?
C2 C1 B4 B10 -4.4(3) . . . . ?
B5 C1 B4 B10 104.4(3) . . . . ?
B3 C1 B4 B10 -42.5(2) . . . . ?
C2 C1 B4 B9 -67.1(3) . . . . ?
B5 C1 B4 B9 41.7(2) . . . . ?
B3 C1 B4 B9 -105.3(3) . . . . ?
C2 C1 B4 B3 38.2(3) . . . . ?
B5 C1 B4 B3 147.0(3) . . . . ?
C2 C1 B4 B5 -108.8(3) . . . . ?
B3 C1 B4 B5 -147.0(3) . . . . ?
B12 B9 B4 B10 -36.0(3) . . . . ?
B5 B9 B4 B10 -136.5(3) . . . . ?
B8 B9 B4 B10 -100.5(3) . . . . ?
S1 B9 B4 B10 105.8(4) . . . . ?
B10 B9 B4 C1 97.9(3) . . . . ?
B12 B9 B4 C1 61.9(3) . . . . ?
B5 B9 B4 C1 -38.7(2) . . . . ?
B8 B9 B4 C1 -2.6(3) . . . . ?
S1 B9 B4 C1 -156.4(3) . . . . ?
B10 B9 B4 B3 37.3(3) . . . . ?
B12 B9 B4 B3 1.3(4) . . . . ?
B5 B9 B4 B3 -99.2(3) . . . . ?
B8 B9 B4 B3 -63.2(4) . . . . ?
S1 B9 B4 B3 143.1(3) . . . . ?
B10 B9 B4 B5 136.5(3) . . . . ?
B12 B9 B4 B5 100.5(3) . . . . ?
B8 B9 B4 B5 36.1(3) . . . . ?
S1 B9 B4 B5 -117.7(4) . . . . ?
C2 B3 B4 B10 97.0(3) . . . . ?
C1 B3 B4 B10 129.8(3) . . . . ?
B11 B3 B4 B10 35.7(3) . . . . ?
C2 B3 B4 C1 -32.9(2) . . . . ?
B10 B3 B4 C1 -129.8(3) . . . . ?
B11 B3 B4 C1 -94.2(3) . . . . ?
C2 B3 B4 B9 58.9(4) . . . . ?
C1 B3 B4 B9 91.7(3) . . . . ?
B10 B3 B4 B9 -38.1(3) . . . . ?
B11 B3 B4 B9 -2.5(4) . . . . ?
C2 B3 B4 B5 -5.1(4) . . . . ?
C1 B3 B4 B5 27.8(3) . . . . ?
B10 B3 B4 B5 -102.1(3) . . . . ?
B11 B3 B4 B5 -66.4(4) . . . . ?
C1 B5 B4 B10 -91.9(3) . . . . ?
B8 B5 B4 B10 2.6(4) . . . . ?
B9 B5 B4 B10 39.6(3) . . . . ?
B8 B5 B4 C1 94.4(3) . . . . ?
B9 B5 B4 C1 131.4(3) . . . . ?
C1 B5 B4 B9 -131.4(3) . . . . ?
B8 B5 B4 B9 -37.0(3) . . . . ?
C1 B5 B4 B3 -29.2(3) . . . . ?
B8 B5 B4 B3 65.3(4) . . . . ?
B9 B5 B4 B3 102.3(3) . . . . ?
C48 C49 C50 C51 -1.3(7) . . . . ?
C52 C51 C50 C49 1.7(6) . . . . ?
C1 B4 B10 B3 42.2(2) . . . . ?
B9 B4 B10 B3 138.2(3) . . . . ?
B5 B4 B10 B3 98.9(3) . . . . ?
C1 B4 B10 B11 5.3(3) . . . . ?
B9 B4 B10 B11 101.3(3) . . . . ?
B3 B4 B10 B11 -36.9(3) . . . . ?
B5 B4 B10 B11 62.1(4) . . . . ?
C1 B4 B10 B9 -96.0(3) . . . . ?
B3 B4 B10 B9 -138.2(3) . . . . ?
B5 B4 B10 B9 -39.2(3) . . . . ?
C1 B4 B10 B12 -59.4(3) . . . . ?
B9 B4 B10 B12 36.6(3) . . . . ?
B3 B4 B10 B12 -101.6(3) . . . . ?
B5 B4 B10 B12 -2.7(4) . . . . ?
C2 B3 B10 B4 -98.4(3) . . . . ?
C1 B3 B10 B4 -42.6(3) . . . . ?
B11 B3 B10 B4 -140.0(3) . . . . ?
C2 B3 B10 B11 41.5(2) . . . . ?
C1 B3 B10 B11 97.4(3) . . . . ?
B4 B3 B10 B11 140.0(3) . . . . ?
C2 B3 B10 B9 -60.6(3) . . . . ?
C1 B3 B10 B9 -4.8(3) . . . . ?
B11 B3 B10 B9 -102.1(3) . . . . ?
B4 B3 B10 B9 37.8(3) . . . . ?
C2 B3 B10 B12 3.7(3) . . . . ?
C1 B3 B10 B12 59.5(3) . . . . ?
B11 B3 B10 B12 -37.8(3) . . . . ?
B4 B3 B10 B12 102.1(3) . . . . ?
C2 B11 B10 B4 -4.4(3) . . . . ?
B3 B11 B10 B4 37.3(3) . . . . ?
B12 B11 B10 B4 -100.8(3) . . . . ?
B7 B11 B10 B4 -62.8(4) . . . . ?
C2 B11 B10 B3 -41.8(2) . . . . ?
B12 B11 B10 B3 -138.1(3) . . . . ?
B7 B11 B10 B3 -100.2(3) . . . . ?
C2 B11 B10 B9 60.1(3) . . . . ?
B3 B11 B10 B9 101.9(3) . . . . ?
B12 B11 B10 B9 -36.3(3) . . . . ?
B7 B11 B10 B9 1.7(4) . . . . ?
C2 B11 B10 B12 96.4(3) . . . . ?
B3 B11 B10 B12 138.1(3) . . . . ?
B7 B11 B10 B12 38.0(3) . . . . ?
B12 B9 B10 B4 139.6(3) . . . . ?
B5 B9 B10 B4 39.2(3) . . . . ?
B8 B9 B10 B4 101.2(3) . . . . ?
S1 B9 B10 B4 -123.4(3) . . . . ?
B4 B9 B10 B3 -38.5(3) . . . . ?
B12 B9 B10 B3 101.1(3) . . . . ?
B5 B9 B10 B3 0.7(4) . . . . ?
B8 B9 B10 B3 62.7(3) . . . . ?
S1 B9 B10 B3 -161.9(2) . . . . ?
B4 B9 B10 B11 -103.4(3) . . . . ?
B12 B9 B10 B11 36.3(3) . . . . ?
B5 B9 B10 B11 -64.1(3) . . . . ?
B8 B9 B10 B11 -2.1(4) . . . . ?
S1 B9 B10 B11 133.3(3) . . . . ?
B4 B9 B10 B12 -139.6(3) . . . . ?
B5 B9 B10 B12 -100.4(3) . . . . ?
B8 B9 B10 B12 -38.4(3) . . . . ?
S1 B9 B10 B12 97.0(3) . . . . ?
B11 B12 B10 B4 103.7(3) . . . . ?
B9 B12 B10 B4 -36.5(3) . . . . ?
B7 B12 B10 B4 66.6(4) . . . . ?
B8 B12 B10 B4 1.8(4) . . . . ?
S2 B12 B10 B4 -136.1(3) . . . . ?
B11 B12 B10 B3 37.9(3) . . . . ?
B9 B12 B10 B3 -102.2(3) . . . . ?
B7 B12 B10 B3 0.9(4) . . . . ?
B8 B12 B10 B3 -64.0(3) . . . . ?
S2 B12 B10 B3 158.2(2) . . . . ?
B9 B12 B10 B11 -140.1(3) . . . . ?
B7 B12 B10 B11 -37.0(3) . . . . ?
B8 B12 B10 B11 -101.9(3) . . . . ?
S2 B12 B10 B11 120.3(3) . . . . ?
B11 B12 B10 B9 140.1(3) . . . . ?
B7 B12 B10 B9 103.1(3) . . . . ?
B8 B12 B10 B9 38.2(3) . . . . ?
S2 B12 B10 B9 -99.6(3) . . . . ?
C39 C40 C35 C36 -1.4(5) . . . . ?
C39 C40 C35 P1 173.0(3) . . . . ?
C23 P1 C35 C36 -127.0(3) . . . . ?
C29 P1 C35 C36 -26.5(3) . . . . ?
Rh2 P1 C35 C36 97.9(3) . . . . ?
C23 P1 C35 C40 58.9(3) . . . . ?
C29 P1 C35 C40 159.3(3) . . . . ?
Rh2 P1 C35 C40 -76.3(3) . . . . ?
C58 C57 C56 C55 3.1(6) . . . . ?
C54 C55 C56 C57 -4.1(6) . . . . ?
C40 C35 C36 C37 1.4(6) . . . . ?
P1 C35 C36 C37 -173.1(3) . . . . ?
C41 C46 C45 C44 2.8(6) . . . . ?
C43 C44 C45 C46 -1.2(6) . . . . ?
C35 C40 C39 C38 1.2(6) . . . . ?
C35 C36 C37 C38 -1.1(7) . . . . ?
C40 C39 C38 C37 -0.9(7) . . . . ?
C36 C37 C38 C39 0.8(7) . . . . ?
C28 C23 C24 C25 2.0(6) . . . . ?
P1 C23 C24 C25 -173.7(3) . . . . ?
C32 C33 C34 C29 2.1(6) . . . . ?
C23 C28 C27 C26 -0.2(8) . . . . ?
C25 C26 C27 C28 0.1(8) . . . . ?
C45 C46 C41 C42 -2.9(6) . . . . ?
C45 C46 C41 P2 179.6(3) . . . . ?
C43 C42 C41 C46 1.5(6) . . . . ?
C43 C42 C41 P2 179.3(3) . . . . ?
C47 P2 C41 C46 -15.6(4) . . . . ?
C53 P2 C41 C46 84.0(4) . . . . ?
Rh2 P2 C41 C46 -144.8(3) . . . . ?
C47 P2 C41 C42 166.9(3) . . . . ?
C53 P2 C41 C42 -93.5(3) . . . . ?
Rh2 P2 C41 C42 37.7(3) . . . . ?
C27 C26 C25 C24 1.0(7) . . . . ?
C23 C24 C25 C26 -2.1(6) . . . . ?
C45 C44 C43 C42 -0.1(7) . . . . ?
C41 C42 C43 C44 0.0(7) . . . . ?
C31 C30 C29 C34 1.5(5) . . . . ?
C31 C30 C29 P1 -170.1(3) . . . . ?
C33 C34 C29 C30 -2.0(6) . . . . ?
C33 C34 C29 P1 170.1(3) . . . . ?
C35 P1 C29 C30 104.9(3) . . . . ?
C23 P1 C29 C30 -148.2(3) . . . . ?
Rh2 P1 C29 C30 -20.9(3) . . . . ?
C35 P1 C29 C34 -66.9(3) . . . . ?
C23 P1 C29 C34 40.1(3) . . . . ?
Rh2 P1 C29 C34 167.3(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.961
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.961
_refine_diff_density_max         0.865
_refine_diff_density_min         -0.730
_refine_diff_density_rms         0.154
_database_code_depnum_ccdc_archive 'CCDC 996719'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_20130905a

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C31 H40 B9 O P Rh2 S2'
_chemical_formula_weight         826.83

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'
P P 0.1023 0.0942 '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'
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   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                   10.4072(16)
_cell_length_b                   15.6144(19)
_cell_length_c                   22.4334(13)
_cell_angle_alpha                90.00
_cell_angle_beta                 101.504(3)
_cell_angle_gamma                90.00
_cell_volume                     3572.2(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    291(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.537
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1664
_exptl_absorpt_coefficient_mu    1.112
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      291(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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            32187
_diffrn_reflns_av_R_equivalents  0.0136
_diffrn_reflns_av_sigmaI/netI    0.0695
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.00
_diffrn_reflns_theta_max         27.74
_reflns_number_total             8354
_reflns_number_gt                6691
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0787P)²+0.0000P] 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         8354
_refine_ls_number_parameters     424
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0574
_refine_ls_wR_factor_ref         0.1449
_refine_ls_wR_factor_gt          0.1446
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_restrained_S_all      1.066
_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
B3 B 0.4623(7) 0.5023(5) 0.2901(3) 0.0662(18) Uani 1 1 d . . .
H3 H 0.4739 0.4475 0.3215 0.079 Uiso 1 1 calc R . .
B4 B 0.4056(5) 0.4885(4) 0.2103(3) 0.0508(13) Uani 1 1 d . . .
H4 H 0.3764 0.4255 0.1901 0.061 Uiso 1 1 calc R . .
B5 B 0.4929(5) 0.5658(4) 0.1745(3) 0.0518(14) Uani 1 1 d . . .
H5 H 0.5525 0.5646 0.1391 0.062 Uiso 1 1 calc R . .
B7 B 0.5017(5) 0.6808(5) 0.2753(3) 0.0571(15) Uani 1 1 d . . .
H7 H 0.5657 0.7364 0.2892 0.068 Uiso 1 1 calc R . .
B8 B 0.4436(5) 0.6728(4) 0.1926(3) 0.0461(12) Uani 1 1 d . . .
H8B H 0.3900 0.7225 0.1557 0.056(14) Uiso 1 1 d R . .
H8A H 0.5485 0.6745 0.2136 0.12(3) Uiso 1 1 d R . .
B9 B 0.3303(5) 0.5858(3) 0.1824(2) 0.0376(10) Uani 1 1 d . . .
B10 B 0.3091(5) 0.5445(3) 0.2544(2) 0.0450(12) Uani 1 1 d . . .
H10 H 0.2154 0.5182 0.2616 0.054 Uiso 1 1 calc R . .
B11 B 0.4131(5) 0.6040(4) 0.3120(3) 0.0537(14) Uani 1 1 d . . .
H11 H 0.3884 0.6151 0.3568 0.064 Uiso 1 1 calc R . .
B12 B 0.3356(5) 0.6565(3) 0.2452(2) 0.0395(11) Uani 1 1 d . . .
C1 C 0.5606(5) 0.5257(4) 0.2399(3) 0.0690(16) Uani 1 1 d . . .
H1 H 0.6497 0.5117 0.2365 0.084(19) Uiso 1 1 d R . .
C2 C 0.5638(5) 0.5879(4) 0.2949(2) 0.0667(16) Uani 1 1 d . . .
H2 H 0.6439 0.5844 0.3256 0.074(17) Uiso 1 1 d R . .
C13 C -0.1856(4) 0.6806(3) 0.1344(2) 0.0443(11) Uani 1 1 d . . .
C14 C -0.1600(4) 0.5911(3) 0.1284(2) 0.0386(9) Uani 1 1 d . . .
C15 C -0.1116(4) 0.5587(3) 0.1884(2) 0.0401(10) Uani 1 1 d . . .
C16 C -0.1115(4) 0.6272(3) 0.2309(2) 0.0423(10) Uani 1 1 d . . .
C17 C -0.1569(4) 0.7027(3) 0.1976(2) 0.0437(10) Uani 1 1 d . . .
C18 C -0.2385(6) 0.7401(4) 0.0835(3) 0.0697(17) Uani 1 1 d . . .
H18A H -0.2368 0.7126 0.0454 0.105 Uiso 1 1 calc R . .
H18B H -0.1856 0.7909 0.0871 0.105 Uiso 1 1 calc R . .
H18C H -0.3271 0.7551 0.0852 0.105 Uiso 1 1 calc R . .
C19 C -0.1766(5) 0.5396(3) 0.0704(2) 0.0575(13) Uani 1 1 d . . .
H19A H -0.1996 0.5771 0.0361 0.086 Uiso 1 1 calc R . .
H19B H -0.2448 0.4980 0.0696 0.086 Uiso 1 1 calc R . .
H19C H -0.0959 0.5109 0.0687 0.086 Uiso 1 1 calc R . .
C20 C -0.0792(5) 0.4673(3) 0.2039(3) 0.0583(13) Uani 1 1 d . . .
H20A H -0.1571 0.4376 0.2089 0.088 Uiso 1 1 calc R . .
H20B H -0.0150 0.4644 0.2411 0.088 Uiso 1 1 calc R . .
H20C H -0.0447 0.4411 0.1717 0.088 Uiso 1 1 calc R . .
C21 C -0.0711(6) 0.6204(4) 0.2980(2) 0.0687(16) Uani 1 1 d . . .
H21A H -0.0363 0.6744 0.3144 0.103 Uiso 1 1 calc R . .
H21B H -0.0052 0.5769 0.3081 0.103 Uiso 1 1 calc R . .
H21C H -0.1458 0.6057 0.3151 0.103 Uiso 1 1 calc R . .
C22 C -0.1757(6) 0.7877(4) 0.2244(3) 0.0720(17) Uani 1 1 d . . .
H22A H -0.1523 0.8320 0.1988 0.108 Uiso 1 1 calc R . .
H22B H -0.1211 0.7918 0.2641 0.108 Uiso 1 1 calc R . .
H22C H -0.2659 0.7943 0.2274 0.108 Uiso 1 1 calc R . .
C23 C 0.0201(4) 0.7549(3) -0.02073(19) 0.0358(9) Uani 1 1 d . . .
C24 C -0.0776(5) 0.8157(3) -0.0318(2) 0.0498(11) Uani 1 1 d . . .
H24 H -0.0634 0.8703 -0.0152 0.060 Uiso 1 1 calc R . .
C25 C -0.1976(5) 0.7944(4) -0.0680(2) 0.0598(14) Uani 1 1 d . . .
H25 H -0.2632 0.8357 -0.0759 0.072 Uiso 1 1 calc R . .
C26 C -0.2218(5) 0.7147(4) -0.0923(2) 0.0588(13) Uani 1 1 d . . .
H26 H -0.3018 0.7028 -0.1178 0.071 Uiso 1 1 calc R . .
C27 C -0.1277(5) 0.6516(4) -0.0792(3) 0.0636(15) Uani 1 1 d . . .
H27 H -0.1450 0.5962 -0.0937 0.076 Uiso 1 1 calc R . .
C28 C -0.0065(5) 0.6725(3) -0.0437(2) 0.0500(12) Uani 1 1 d . . .
H28 H 0.0582 0.6307 -0.0351 0.060 Uiso 1 1 calc R . .
C29 C 0.2244(4) 0.8842(3) 0.0058(2) 0.0381(9) Uani 1 1 d . . .
C30 C 0.1762(5) 0.9225(3) -0.0491(2) 0.0491(11) Uani 1 1 d . . .
H30 H 0.1117 0.8946 -0.0770 0.059 Uiso 1 1 calc R . .
C31 C 0.2212(6) 1.0019(3) -0.0643(3) 0.0633(14) Uani 1 1 d . . .
H31 H 0.1869 1.0272 -0.1016 0.076 Uiso 1 1 calc R . .
C32 C 0.3182(6) 1.0425(3) -0.0226(3) 0.0644(15) Uani 1 1 d . . .
H32 H 0.3502 1.0953 -0.0320 0.077 Uiso 1 1 calc R . .
C33 C 0.3672(5) 1.0051(3) 0.0325(3) 0.0551(12) Uani 1 1 d . . .
H33 H 0.4307 1.0333 0.0608 0.066 Uiso 1 1 calc R . .
C34 C 0.3225(4) 0.9256(3) 0.0461(2) 0.0453(10) Uani 1 1 d . . .
H34 H 0.3587 0.8997 0.0829 0.054 Uiso 1 1 calc R . .
C35 C 0.2912(4) 0.7130(3) -0.01186(19) 0.0361(9) Uani 1 1 d . . .
C36 C 0.2845(5) 0.7197(3) -0.0742(2) 0.0548(12) Uani 1 1 d . . .
H36 H 0.2208 0.7542 -0.0975 0.066 Uiso 1 1 calc R . .
C37 C 0.3704(6) 0.6761(4) -0.1014(3) 0.0651(16) Uani 1 1 d . . .
H37 H 0.3646 0.6807 -0.1432 0.078 Uiso 1 1 calc R . .
C38 C 0.4648(5) 0.6260(4) -0.0679(3) 0.0632(15) Uani 1 1 d . . .
H38 H 0.5243 0.5973 -0.0866 0.076 Uiso 1 1 calc R . .
C39 C 0.4723(5) 0.6176(4) -0.0066(3) 0.0599(14) Uani 1 1 d . . .
H39 H 0.5356 0.5820 0.0159 0.072 Uiso 1 1 calc R . .
C40 C 0.3859(4) 0.6618(3) 0.0223(2) 0.0494(11) Uani 1 1 d . . .
H40 H 0.3920 0.6569 0.0641 0.059 Uiso 1 1 calc R . .
C1A C 0.1452(6) 0.8669(3) 0.1357(2) 0.0549(13) Uani 1 1 d . . .
O1 O 0.0994(6) 0.9326(3) 0.1391(2) 0.1069(18) Uani 1 1 d . . .
P1 P 0.18159(10) 0.77605(7) 0.02558(5) 0.0323(2) Uani 1 1 d . . .
Rh1 Rh 0.02123(3) 0.655449(19) 0.172311(14) 0.03197(11) Uani 1 1 d . . .
Rh2 Rh 0.19448(3) 0.756428(19) 0.128036(14) 0.03172(11) Uani 1 1 d . . .
S1 S 0.17902(9) 0.60139(6) 0.12045(4) 0.0321(2) Uani 1 1 d . . .
S2 S 0.19056(10) 0.73101(6) 0.23417(5) 0.0327(2) 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
B3 C2 1.693(10) . ?
B3 C1 1.705(10) . ?
B3 B10 1.763(8) . ?
B3 B11 1.768(9) . ?
B3 B4 1.781(8) . ?
B3 H3 1.1000 . ?
B4 C1 1.718(8) . ?
B4 B9 1.766(7) . ?
B4 B10 1.774(8) . ?
B4 B5 1.794(9) . ?
B4 H4 1.1000 . ?
B5 C1 1.621(8) . ?
B5 B9 1.764(7) . ?
B5 B8 1.819(8) . ?
B5 H5 1.1000 . ?
B7 C2 1.614(9) . ?
B7 B12 1.767(7) . ?
B7 B11 1.808(9) . ?
B7 B8 1.837(8) . ?
B7 H7 1.1000 . ?
B7 H8A 1.5598 . ?
B8 B9 1.783(7) . ?
B8 B12 1.802(7) . ?
B8 H8B 1.1893 . ?
B8 H8A 1.0994 . ?
B9 B12 1.782(7) . ?
B9 B10 1.793(7) . ?
B9 S1 1.897(5) . ?
B10 B11 1.773(8) . ?
B10 B12 1.789(7) . ?
B10 H10 1.1000 . ?
B11 C2 1.706(8) . ?
B11 B12 1.756(7) . ?
B11 H11 1.1000 . ?
B12 S2 1.883(5) . ?
C1 C2 1.566(8) . ?
C1 H1 0.9698 . ?
C2 H2 0.9705 . ?
C13 C17 1.433(7) . ?
C13 C14 1.433(6) . ?
C13 C18 1.489(7) . ?
C13 Rh1 2.186(4) . ?
C14 C15 1.432(6) . ?
C14 C19 1.509(7) . ?
C14 Rh1 2.190(4) . ?
C15 C16 1.433(6) . ?
C15 C20 1.491(6) . ?
C15 Rh1 2.127(4) . ?
C16 C17 1.424(6) . ?
C16 C21 1.485(7) . ?
C16 Rh1 2.134(4) . ?
C17 C22 1.486(7) . ?
C17 Rh1 2.174(4) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C24 1.378(6) . ?
C23 C28 1.392(6) . ?
C23 P1 1.822(4) . ?
C24 C25 1.387(7) . ?
C24 H24 0.9300 . ?
C25 C26 1.363(8) . ?
C25 H25 0.9300 . ?
C26 C27 1.378(8) . ?
C26 H26 0.9300 . ?
C27 C28 1.390(7) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 C30 1.371(6) . ?
C29 C34 1.382(6) . ?
C29 P1 1.824(4) . ?
C30 C31 1.390(7) . ?
C30 H30 0.9300 . ?
C31 C32 1.386(8) . ?
C31 H31 0.9300 . ?
C32 C33 1.370(8) . ?
C32 H32 0.9300 . ?
C33 C34 1.381(7) . ?
C33 H33 0.9300 . ?
C34 H34 0.9300 . ?
C35 C40 1.376(6) . ?
C35 C36 1.390(6) . ?
C35 P1 1.833(4) . ?
C36 C37 1.361(7) . ?
C36 H36 0.9300 . ?
C37 C38 1.360(8) . ?
C37 H37 0.9300 . ?
C38 C39 1.367(8) . ?
C38 H38 0.9300 . ?
C39 C40 1.393(7) . ?
C39 H39 0.9300 . ?
C40 H40 0.9300 . ?
C1A O1 1.140(6) . ?
C1A Rh2 1.817(5) . ?
P1 Rh2 2.2961(11) . ?
Rh1 S2 2.3340(10) . ?
Rh1 S1 2.3505(10) . ?
Rh1 Rh2 2.7272(5) . ?
Rh2 S2 2.4221(11) . ?
Rh2 S1 2.4299(10) . ?
Rh2 H8B 2.0746 . ?

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
C2 B3 C1 54.9(4) . . ?
C2 B3 B10 103.3(4) . . ?
C1 B3 B10 103.2(4) . . ?
C2 B3 B11 59.0(4) . . ?
C1 B3 B11 103.7(5) . . ?
B10 B3 B11 60.3(3) . . ?
C2 B3 B4 103.7(5) . . ?
C1 B3 B4 59.0(3) . . ?
B10 B3 B4 60.1(3) . . ?
B11 B3 B4 109.4(4) . . ?
C2 B3 H3 125.9 . . ?
C1 B3 H3 125.9 . . ?
B10 B3 H3 123.7 . . ?
B11 B3 H3 121.4 . . ?
B4 B3 H3 121.5 . . ?
C1 B4 B9 99.3(4) . . ?
C1 B4 B10 102.2(4) . . ?
B9 B4 B10 60.9(3) . . ?
C1 B4 B3 58.3(4) . . ?
B9 B4 B3 106.7(4) . . ?
B10 B4 B3 59.5(3) . . ?
C1 B4 B5 54.9(3) . . ?
B9 B4 B5 59.4(3) . . ?
B10 B4 B5 108.2(4) . . ?
B3 B4 B5 105.8(4) . . ?
C1 B4 H4 128.4 . . ?
B9 B4 H4 123.8 . . ?
B10 B4 H4 122.0 . . ?
B3 B4 H4 122.0 . . ?
B5 B4 H4 122.7 . . ?
C1 B5 B9 103.3(4) . . ?
C1 B5 B4 60.2(3) . . ?
B9 B5 B4 59.5(3) . . ?
C1 B5 B8 104.1(4) . . ?
B9 B5 B8 59.7(3) . . ?
B4 B5 B8 109.1(4) . . ?
C1 B5 H5 116.1 . . ?
B9 B5 H5 140.0 . . ?
B4 B5 H5 136.1 . . ?
B8 B5 H5 113.7 . . ?
C2 B7 B12 102.6(4) . . ?
C2 B7 B11 59.5(4) . . ?
B12 B7 B11 58.8(3) . . ?
C2 B7 B8 104.3(4) . . ?
B12 B7 B8 60.0(3) . . ?
B11 B7 B8 108.6(4) . . ?
C2 B7 H7 116.4 . . ?
B12 B7 H7 140.2 . . ?
B11 B7 H7 136.8 . . ?
B8 B7 H7 113.5 . . ?
C2 B7 H8A 90.4 . . ?
B12 B7 H8A 95.9 . . ?
B11 B7 H8A 129.8 . . ?
B8 B7 H8A 36.6 . . ?
H7 B7 H8A 91.3 . . ?
B9 B8 B12 59.6(3) . . ?
B9 B8 B5 58.6(3) . . ?
B12 B8 B5 104.9(4) . . ?
B9 B8 B7 104.9(4) . . ?
B12 B8 B7 58.1(3) . . ?
B5 B8 B7 103.7(4) . . ?
B9 B8 H8B 101.6 . . ?
B12 B8 H8B 106.4 . . ?
B5 B8 H8B 123.9 . . ?
B7 B8 H8B 132.3 . . ?
B9 B8 H8A 130.4 . . ?
B12 B8 H8A 114.8 . . ?
B5 B8 H8A 79.5 . . ?
B7 B8 H8A 57.8 . . ?
H8B B8 H8A 124.7 . . ?
B5 B9 B4 61.1(3) . . ?
B5 B9 B12 108.1(4) . . ?
B4 B9 B12 108.1(4) . . ?
B5 B9 B8 61.7(3) . . ?
B4 B9 B8 112.0(4) . . ?
B12 B9 B8 60.7(3) . . ?
B5 B9 B10 108.7(4) . . ?
B4 B9 B10 59.8(3) . . ?
B12 B9 B10 60.0(3) . . ?
B8 B9 B10 110.8(4) . . ?
B5 B9 S1 128.4(3) . . ?
B4 B9 S1 127.9(3) . . ?
B12 B9 S1 113.0(3) . . ?
B8 B9 S1 115.3(3) . . ?
B10 B9 S1 118.2(3) . . ?
B3 B10 B11 60.0(3) . . ?
B3 B10 B4 60.5(3) . . ?
B11 B10 B4 109.5(4) . . ?
B3 B10 B12 105.7(4) . . ?
B11 B10 B12 59.1(3) . . ?
B4 B10 B12 107.5(4) . . ?
B3 B10 B9 106.3(4) . . ?
B11 B10 B9 107.5(4) . . ?
B4 B10 B9 59.4(3) . . ?
B12 B10 B9 59.7(3) . . ?
B3 B10 H10 122.8 . . ?
B11 B10 H10 121.3 . . ?
B4 B10 H10 121.0 . . ?
B12 B10 H10 123.0 . . ?
B9 B10 H10 122.6 . . ?
C2 B11 B12 99.4(4) . . ?
C2 B11 B3 58.3(4) . . ?
B12 B11 B3 106.9(4) . . ?
C2 B11 B10 102.4(4) . . ?
B12 B11 B10 60.9(3) . . ?
B3 B11 B10 59.7(3) . . ?
C2 B11 B7 54.6(3) . . ?
B12 B11 B7 59.4(3) . . ?
B3 B11 B7 105.5(5) . . ?
B10 B11 B7 108.0(4) . . ?
C2 B11 H11 128.4 . . ?
B12 B11 H11 123.7 . . ?
B3 B11 H11 122.0 . . ?
B10 B11 H11 121.9 . . ?
B7 B11 H11 123.0 . . ?
B11 B12 B7 61.8(3) . . ?
B11 B12 B9 108.8(4) . . ?
B7 B12 B9 108.0(4) . . ?
B11 B12 B10 60.0(3) . . ?
B7 B12 B10 109.1(4) . . ?
B9 B12 B10 60.3(3) . . ?
B11 B12 B8 112.6(4) . . ?
B7 B12 B8 61.9(3) . . ?
B9 B12 B8 59.7(3) . . ?
B10 B12 B8 110.1(4) . . ?
B11 B12 S2 128.4(4) . . ?
B7 B12 S2 128.0(4) . . ?
B9 B12 S2 112.4(3) . . ?
B10 B12 S2 118.8(3) . . ?
B8 B12 S2 114.5(3) . . ?
C2 C1 B5 114.3(5) . . ?
C2 C1 B3 62.1(4) . . ?
B5 C1 B3 118.1(4) . . ?
C2 C1 B4 112.6(4) . . ?
B5 C1 B4 64.9(3) . . ?
B3 C1 B4 62.7(4) . . ?
C2 C1 H1 109.3 . . ?
B5 C1 H1 105.5 . . ?
B3 C1 H1 135.4 . . ?
B4 C1 H1 137.1 . . ?
C1 C2 B7 113.5(4) . . ?
C1 C2 B3 63.0(4) . . ?
B7 C2 B3 118.8(4) . . ?
C1 C2 B11 113.1(4) . . ?
B7 C2 B11 65.9(4) . . ?
B3 C2 B11 62.7(4) . . ?
C1 C2 H2 113.9 . . ?
B7 C2 H2 118.9 . . ?
B3 C2 H2 116.0 . . ?
B11 C2 H2 123.2 . . ?
C17 C13 C14 108.7(4) . . ?
C17 C13 C18 125.5(4) . . ?
C14 C13 C18 125.7(5) . . ?
C17 C13 Rh1 70.3(2) . . ?
C14 C13 Rh1 71.0(2) . . ?
C18 C13 Rh1 126.5(3) . . ?
C15 C14 C13 107.1(4) . . ?
C15 C14 C19 125.4(4) . . ?
C13 C14 C19 127.5(4) . . ?
C15 C14 Rh1 68.2(2) . . ?
C13 C14 Rh1 70.7(2) . . ?
C19 C14 Rh1 124.9(3) . . ?
C14 C15 C16 108.4(4) . . ?
C14 C15 C20 125.4(4) . . ?
C16 C15 C20 126.0(4) . . ?
C14 C15 Rh1 73.1(2) . . ?
C16 C15 Rh1 70.6(2) . . ?
C20 C15 Rh1 126.5(3) . . ?
C17 C16 C15 108.2(4) . . ?
C17 C16 C21 126.0(5) . . ?
C15 C16 C21 125.8(4) . . ?
C17 C16 Rh1 72.2(2) . . ?
C15 C16 Rh1 70.1(2) . . ?
C21 C16 Rh1 123.6(3) . . ?
C16 C17 C13 107.6(4) . . ?
C16 C17 C22 125.8(5) . . ?
C13 C17 C22 126.6(5) . . ?
C16 C17 Rh1 69.2(2) . . ?
C13 C17 Rh1 71.3(2) . . ?
C22 C17 Rh1 126.6(3) . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 C28 119.1(4) . . ?
C24 C23 P1 122.8(3) . . ?
C28 C23 P1 118.1(3) . . ?
C23 C24 C25 119.0(5) . . ?
C23 C24 H24 120.5 . . ?
C25 C24 H24 120.5 . . ?
C26 C25 C24 121.8(5) . . ?
C26 C25 H25 119.1 . . ?
C24 C25 H25 119.1 . . ?
C25 C26 C27 120.0(5) . . ?
C25 C26 H26 120.0 . . ?
C27 C26 H26 120.0 . . ?
C26 C27 C28 118.7(5) . . ?
C26 C27 H27 120.6 . . ?
C28 C27 H27 120.6 . . ?
C27 C28 C23 121.3(5) . . ?
C27 C28 H28 119.4 . . ?
C23 C28 H28 119.4 . . ?
C30 C29 C34 118.3(4) . . ?
C30 C29 P1 124.0(3) . . ?
C34 C29 P1 117.3(3) . . ?
C29 C30 C31 121.8(5) . . ?
C29 C30 H30 119.1 . . ?
C31 C30 H30 119.1 . . ?
C32 C31 C30 118.6(5) . . ?
C32 C31 H31 120.7 . . ?
C30 C31 H31 120.7 . . ?
C33 C32 C31 120.3(5) . . ?
C33 C32 H32 119.9 . . ?
C31 C32 H32 119.9 . . ?
C32 C33 C34 120.1(5) . . ?
C32 C33 H33 120.0 . . ?
C34 C33 H33 120.0 . . ?
C33 C34 C29 120.9(4) . . ?
C33 C34 H34 119.6 . . ?
C29 C34 H34 119.6 . . ?
C40 C35 C36 119.4(4) . . ?
C40 C35 P1 119.9(3) . . ?
C36 C35 P1 120.6(3) . . ?
C37 C36 C35 120.5(5) . . ?
C37 C36 H36 119.7 . . ?
C35 C36 H36 119.7 . . ?
C38 C37 C36 120.4(5) . . ?
C38 C37 H37 119.8 . . ?
C36 C37 H37 119.8 . . ?
C37 C38 C39 120.2(5) . . ?
C37 C38 H38 119.9 . . ?
C39 C38 H38 119.9 . . ?
C38 C39 C40 120.5(5) . . ?
C38 C39 H39 119.8 . . ?
C40 C39 H39 119.8 . . ?
C35 C40 C39 119.1(5) . . ?
C35 C40 H40 120.5 . . ?
C39 C40 H40 120.5 . . ?
O1 C1A Rh2 171.8(6) . . ?
C23 P1 C29 105.77(19) . . ?
C23 P1 C35 103.25(19) . . ?
C29 P1 C35 100.43(19) . . ?
C23 P1 Rh2 114.18(14) . . ?
C29 P1 Rh2 113.53(14) . . ?
C35 P1 Rh2 118.01(14) . . ?
C15 Rh1 C16 39.32(17) . . ?
C15 Rh1 C17 65.12(16) . . ?
C16 Rh1 C17 38.59(17) . . ?
C15 Rh1 C13 64.58(16) . . ?
C16 Rh1 C13 64.48(18) . . ?
C17 Rh1 C13 38.38(18) . . ?
C15 Rh1 C14 38.71(16) . . ?
C16 Rh1 C14 64.99(17) . . ?
C17 Rh1 C14 64.54(17) . . ?
C13 Rh1 C14 38.24(16) . . ?
C15 Rh1 S2 134.25(13) . . ?
C16 Rh1 S2 104.07(13) . . ?
C17 Rh1 S2 104.81(13) . . ?
C13 Rh1 S2 135.13(13) . . ?
C14 Rh1 S2 168.45(12) . . ?
C15 Rh1 S1 111.75(12) . . ?
C16 Rh1 S1 146.36(13) . . ?
C17 Rh1 S1 165.41(14) . . ?
C13 Rh1 S1 127.03(14) . . ?
C14 Rh1 S1 103.68(12) . . ?
S2 Rh1 S1 87.52(4) . . ?
C15 Rh1 Rh2 166.35(13) . . ?
C16 Rh1 Rh2 154.15(12) . . ?
C17 Rh1 Rh2 124.03(12) . . ?
C13 Rh1 Rh2 115.17(12) . . ?
C14 Rh1 Rh2 132.37(12) . . ?
S2 Rh1 Rh2 56.54(3) . . ?
S1 Rh1 Rh2 56.60(3) . . ?
C1A Rh2 P1 90.41(16) . . ?
C1A Rh2 S2 90.10(16) . . ?
P1 Rh2 S2 175.43(4) . . ?
C1A Rh2 S1 159.42(19) . . ?
P1 Rh2 S1 94.19(4) . . ?
S2 Rh2 S1 83.78(3) . . ?
C1A Rh2 Rh1 107.14(18) . . ?
P1 Rh2 Rh1 122.06(3) . . ?
S2 Rh2 Rh1 53.51(3) . . ?
S1 Rh2 Rh1 53.85(2) . . ?
C1A Rh2 H8B 119.5 . . ?
P1 Rh2 H8B 101.0 . . ?
S2 Rh2 H8B 82.7 . . ?
S1 Rh2 H8B 79.3 . . ?
Rh1 Rh2 H8B 115.1 . . ?
B9 S1 Rh1 104.07(15) . . ?
B9 S1 Rh2 92.43(16) . . ?
Rh1 S1 Rh2 69.55(3) . . ?
B12 S2 Rh1 104.87(15) . . ?
B12 S2 Rh2 93.47(16) . . ?
Rh1 S2 Rh2 69.95(3) . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        27.74
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         0.701
_refine_diff_density_min         -0.696
_refine_diff_density_rms         0.168
_database_code_depnum_ccdc_archive 'CCDC 996720'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_3

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C31 H39 B9 Cl O P Rh2 S2'
_chemical_formula_weight         861.27

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'
Cl Cl 0.1484 0.1585 '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                   10.3532(9)
_cell_length_b                   15.6988(15)
_cell_length_c                   22.680(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 100.705(2)
_cell_angle_gamma                90.00
_cell_volume                     3622.1(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    291(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.579
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1728
_exptl_absorpt_coefficient_mu    1.171
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.7664
_exptl_absorpt_correction_T_max  0.8169
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      291(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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            24205
_diffrn_reflns_av_R_equivalents  0.0365
_diffrn_reflns_av_sigmaI/netI    0.0832
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.59
_diffrn_reflns_theta_max         27.66
_reflns_number_total             8418
_reflns_number_gt                5068
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0600P)²+1.5500P] 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         8418
_refine_ls_number_parameters     429
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0673
_refine_ls_R_factor_gt           0.0604
_refine_ls_wR_factor_ref         0.1416
_refine_ls_wR_factor_gt          0.1406
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_restrained_S_all      1.002
_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
B3 B 0.4457(7) 0.5050(5) 0.2974(3) 0.070(2) Uani 1 1 d . . .
H3 H 0.4427 0.5596 0.3274 0.084 Uiso 1 1 calc R . .
B4 B 0.4030(7) 0.5142(4) 0.2188(3) 0.0582(17) Uani 1 1 d . . .
H4 H 0.3686 0.5750 0.1973 0.070 Uiso 1 1 calc R . .
B5 B 0.5065(6) 0.4458(4) 0.1875(3) 0.0537(16) Uani 1 1 d . . .
H5 H 0.5722 0.4502 0.1547 0.064 Uiso 1 1 calc R . .
B7 B 0.5107(7) 0.3315(5) 0.2877(3) 0.0629(19) Uani 1 1 d . . .
H7 H 0.5797 0.2799 0.3046 0.076 Uiso 1 1 calc R . .
B8 B 0.4711(6) 0.3360(4) 0.2069(3) 0.0472(14) Uani 1 1 d . . .
H8 H 0.5713 0.3641 0.2329 0.057 Uiso 1 1 d R . .
B9 B 0.3441(6) 0.4183(4) 0.1896(2) 0.0445(14) Uani 1 1 d . . .
B10 B 0.3025(6) 0.4543(4) 0.2586(3) 0.0533(16) Uani 1 1 d . . .
H10 H 0.2027 0.4746 0.2626 0.064 Uiso 1 1 calc R . .
B11 B 0.4078(7) 0.3992(5) 0.3176(3) 0.0629(19) Uani 1 1 d . . .
H11 H 0.3776 0.3840 0.3604 0.076 Uiso 1 1 calc R . .
B12 B 0.3453(6) 0.3465(4) 0.2522(2) 0.0487(15) Uani 1 1 d . . .
C1 C 0.5591(6) 0.4907(4) 0.2530(3) 0.0704(18) Uani 1 1 d . . .
H1 H 0.6334 0.4291 0.3433 0.084 Uiso 1 1 d R . .
C2 C 0.5573(6) 0.4280(4) 0.3071(2) 0.0667(17) Uani 1 1 d . . .
H2 H 0.6411 0.5151 0.2527 0.080 Uiso 1 1 d R . .
C13 C -0.1477(5) 0.4032(4) 0.1301(2) 0.0502(13) Uani 1 1 d . . .
C14 C -0.1762(5) 0.3161(4) 0.1367(3) 0.0531(14) Uani 1 1 d . . .
C15 C -0.1451(5) 0.2936(3) 0.1996(2) 0.0522(13) Uani 1 1 d . . .
C16 C -0.1035(5) 0.3689(4) 0.2315(2) 0.0535(14) Uani 1 1 d . . .
C17 C -0.1041(5) 0.4376(3) 0.1887(2) 0.0469(12) Uani 1 1 d . . .
C18 C -0.1683(5) 0.4531(4) 0.0744(2) 0.0587(15) Uani 1 1 d . . .
H18A H -0.2498 0.4836 0.0704 0.088 Uiso 1 1 calc R . .
H18B H -0.1713 0.4154 0.0408 0.088 Uiso 1 1 calc R . .
H18C H -0.0973 0.4927 0.0756 0.088 Uiso 1 1 calc R . .
C19 C -0.2265(6) 0.2556(4) 0.0875(3) 0.0653(17) Uani 1 1 d . . .
H19A H -0.1814 0.2021 0.0951 0.098 Uiso 1 1 calc R . .
H19B H -0.2115 0.2785 0.0501 0.098 Uiso 1 1 calc R . .
H19C H -0.3190 0.2470 0.0855 0.098 Uiso 1 1 calc R . .
C20 C -0.1648(6) 0.2085(4) 0.2266(3) 0.0754(19) Uani 1 1 d . . .
H20A H -0.2478 0.2078 0.2397 0.113 Uiso 1 1 calc R . .
H20B H -0.0954 0.1984 0.2603 0.113 Uiso 1 1 calc R . .
H20C H -0.1638 0.1647 0.1971 0.113 Uiso 1 1 calc R . .
C21 C -0.0670(7) 0.3773(5) 0.2984(2) 0.085(2) Uani 1 1 d . . .
H21A H -0.1437 0.3918 0.3145 0.127 Uiso 1 1 calc R . .
H21B H -0.0022 0.4214 0.3082 0.127 Uiso 1 1 calc R . .
H21C H -0.0316 0.3243 0.3153 0.127 Uiso 1 1 calc R . .
C22 C -0.0773(7) 0.5281(4) 0.2037(3) 0.0744(18) Uani 1 1 d . . .
H22A H -0.0184 0.5505 0.1795 0.112 Uiso 1 1 calc R . .
H22B H -0.0379 0.5331 0.2453 0.112 Uiso 1 1 calc R . .
H22C H -0.1582 0.5595 0.1960 0.112 Uiso 1 1 calc R . .
C23 C 0.0250(5) 0.2504(3) -0.01900(19) 0.0389(11) Uani 1 1 d . . .
C24 C -0.0725(5) 0.1896(4) -0.0307(2) 0.0516(13) Uani 1 1 d . . .
H24 H -0.0576 0.1352 -0.0145 0.062 Uiso 1 1 calc R . .
C25 C -0.1954(6) 0.2097(5) -0.0672(3) 0.0670(17) Uani 1 1 d . . .
H25 H -0.2596 0.1678 -0.0763 0.080 Uiso 1 1 calc R . .
C26 C -0.2201(5) 0.2912(5) -0.0893(2) 0.0613(17) Uani 1 1 d . . .
H26 H -0.3013 0.3051 -0.1124 0.074 Uiso 1 1 calc R . .
C27 C -0.1212(6) 0.3523(4) -0.0765(3) 0.0688(17) Uani 1 1 d . . .
H27 H -0.1346 0.4070 -0.0923 0.083 Uiso 1 1 calc R . .
C28 C -0.0023(5) 0.3309(4) -0.0400(2) 0.0559(14) Uani 1 1 d . . .
H28 H 0.0608 0.3731 -0.0296 0.067 Uiso 1 1 calc R . .
C29 C 0.2256(5) 0.1177(3) 0.0047(2) 0.0457(12) Uani 1 1 d . . .
C30 C 0.1758(5) 0.0823(4) -0.0499(2) 0.0559(14) Uani 1 1 d . . .
H30 H 0.1114 0.1114 -0.0764 0.067 Uiso 1 1 calc R . .
C31 C 0.2198(6) 0.0038(4) -0.0665(3) 0.0666(16) Uani 1 1 d . . .
H31 H 0.1858 -0.0194 -0.1040 0.080 Uiso 1 1 calc R . .
C32 C 0.3149(6) -0.0396(4) -0.0266(3) 0.0654(16) Uani 1 1 d . . .
H32 H 0.3457 -0.0919 -0.0373 0.079 Uiso 1 1 calc R . .
C33 C 0.3633(6) -0.0056(4) 0.0283(3) 0.0587(15) Uani 1 1 d . . .
H33 H 0.4253 -0.0352 0.0556 0.070 Uiso 1 1 calc R . .
C34 C 0.3191(5) 0.0741(3) 0.0433(2) 0.0504(13) Uani 1 1 d . . .
H34 H 0.3542 0.0980 0.0803 0.061 Uiso 1 1 calc R . .
C35 C 0.2963(5) 0.2906(3) -0.0118(2) 0.0417(11) Uani 1 1 d . . .
C36 C 0.3919(5) 0.3416(4) 0.0215(2) 0.0547(14) Uani 1 1 d . . .
H36 H 0.3989 0.3457 0.0629 0.066 Uiso 1 1 calc R . .
C37 C 0.4773(6) 0.3866(4) -0.0076(3) 0.0729(18) Uani 1 1 d . . .
H37 H 0.5413 0.4217 0.0141 0.087 Uiso 1 1 calc R . .
C38 C 0.4665(6) 0.3787(4) -0.0690(3) 0.0709(18) Uani 1 1 d . . .
H38 H 0.5229 0.4088 -0.0888 0.085 Uiso 1 1 calc R . .
C39 C 0.3734(7) 0.3270(4) -0.1003(3) 0.075(2) Uani 1 1 d . . .
H39 H 0.3668 0.3218 -0.1416 0.090 Uiso 1 1 calc R . .
C40 C 0.2891(6) 0.2825(4) -0.0720(2) 0.0615(16) Uani 1 1 d . . .
H40 H 0.2267 0.2466 -0.0940 0.074 Uiso 1 1 calc R . .
C1A C 0.1335(5) 0.1347(4) 0.1329(2) 0.0513(13) Uani 1 1 d . . .
Cl1 Cl 0.46838(13) 0.24386(9) 0.15892(6) 0.0560(4) Uani 1 1 d . . .
O1 O 0.0817(4) 0.0711(3) 0.13717(18) 0.0739(12) Uani 1 1 d . . .
P1 P 0.18509(14) 0.22617(9) 0.02651(6) 0.0483(3) Uani 1 1 d . . .
Rh1 Rh 0.03355(4) 0.34084(3) 0.173606(18) 0.04985(15) Uani 1 1 d . . .
Rh2 Rh 0.20378(4) 0.24177(3) 0.128723(18) 0.04828(14) Uani 1 1 d . . .
S1 S 0.20001(13) 0.39571(9) 0.12558(6) 0.0487(3) Uani 1 1 d . . .
S2 S 0.20566(13) 0.26569(9) 0.23438(6) 0.0500(3) 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
B3 C2 1.658(10) . ?
B3 C1 1.696(10) . ?
B3 B4 1.760(9) . ?
B3 B10 1.766(9) . ?
B3 B11 1.786(11) . ?
B3 H3 1.1000 . ?
B4 C1 1.698(9) . ?
B4 B9 1.712(9) . ?
B4 B5 1.758(10) . ?
B4 B10 1.770(9) . ?
B4 H4 1.1000 . ?
B5 C1 1.644(9) . ?
B5 B9 1.745(8) . ?
B5 B8 1.833(9) . ?
B5 H5 1.1000 . ?
B7 C2 1.625(9) . ?
B7 B11 1.730(11) . ?
B7 B12 1.768(9) . ?
B7 B8 1.804(9) . ?
B7 H7 1.1000 . ?
B7 H8 1.5787 . ?
B8 Cl1 1.807(6) . ?
B8 B12 1.809(8) . ?
B8 B9 1.833(9) . ?
B8 H8 1.1799 . ?
B9 B10 1.791(8) . ?
B9 B12 1.811(8) . ?
B9 S1 1.912(5) . ?
B10 B12 1.763(9) . ?
B10 B11 1.785(9) . ?
B10 H10 1.1000 . ?
B11 C2 1.672(9) . ?
B11 B12 1.717(9) . ?
B11 H11 1.1000 . ?
B12 S2 1.909(6) . ?
C1 C2 1.575(8) . ?
C1 H2 0.9326 . ?
C2 H1 1.0270 . ?
C13 C14 1.414(8) . ?
C13 C17 1.428(7) . ?
C13 C18 1.466(7) . ?
C13 Rh1 2.183(5) . ?
C14 C15 1.449(8) . ?
C14 C19 1.483(7) . ?
C14 Rh1 2.212(5) . ?
C15 C16 1.411(7) . ?
C15 C20 1.499(8) . ?
C15 Rh1 2.174(5) . ?
C16 C17 1.451(7) . ?
C16 C21 1.499(7) . ?
C16 Rh1 2.151(5) . ?
C17 C22 1.475(7) . ?
C17 Rh1 2.153(5) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C28 1.361(7) . ?
C23 C24 1.379(7) . ?
C23 P1 1.822(5) . ?
C24 C25 1.420(7) . ?
C24 H24 0.9300 . ?
C25 C26 1.380(9) . ?
C25 H25 0.9300 . ?
C26 C27 1.394(9) . ?
C26 H26 0.9300 . ?
C27 C28 1.391(7) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 C34 1.362(7) . ?
C29 C30 1.369(7) . ?
C29 P1 1.843(5) . ?
C30 C31 1.390(8) . ?
C30 H30 0.9300 . ?
C31 C32 1.387(8) . ?
C31 H31 0.9300 . ?
C32 C33 1.363(8) . ?
C32 H32 0.9300 . ?
C33 C34 1.395(7) . ?
C33 H33 0.9300 . ?
C34 H34 0.9300 . ?
C35 C40 1.358(7) . ?
C35 C36 1.383(7) . ?
C35 P1 1.864(5) . ?
C36 C37 1.391(7) . ?
C36 H36 0.9300 . ?
C37 C38 1.380(9) . ?
C37 H37 0.9300 . ?
C38 C39 1.355(9) . ?
C38 H38 0.9300 . ?
C39 C40 1.367(8) . ?
C39 H39 0.9300 . ?
C40 H40 0.9300 . ?
C1A O1 1.147(6) . ?
C1A Rh2 1.841(6) . ?
Cl1 Rh2 2.6976(14) . ?
P1 Rh2 2.3033(14) . ?
Rh1 S2 2.3568(14) . ?
Rh1 S1 2.3656(14) . ?
Rh1 Rh2 2.6885(6) . ?
Rh2 S1 2.4178(15) . ?
Rh2 S2 2.4219(14) . ?

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
C2 B3 C1 56.0(4) . . ?
C2 B3 B4 103.5(5) . . ?
C1 B3 B4 58.8(4) . . ?
C2 B3 B10 103.8(5) . . ?
C1 B3 B10 104.8(4) . . ?
B4 B3 B10 60.3(4) . . ?
C2 B3 B11 57.9(4) . . ?
C1 B3 B11 103.8(5) . . ?
B4 B3 B11 108.1(5) . . ?
B10 B3 B11 60.3(4) . . ?
C2 B3 H3 125.9 . . ?
C1 B3 H3 124.9 . . ?
B4 B3 H3 122.1 . . ?
B10 B3 H3 122.8 . . ?
B11 B3 H3 122.3 . . ?
C1 B4 B9 103.0(5) . . ?
C1 B4 B5 56.8(4) . . ?
B9 B4 B5 60.4(4) . . ?
C1 B4 B3 58.7(4) . . ?
B9 B4 B3 108.8(5) . . ?
B5 B4 B3 107.5(5) . . ?
C1 B4 B10 104.5(5) . . ?
B9 B4 B10 61.9(4) . . ?
B5 B4 B10 110.0(5) . . ?
B3 B4 B10 60.0(4) . . ?
C1 B4 H4 126.4 . . ?
B9 B4 H4 121.9 . . ?
B5 B4 H4 121.5 . . ?
B3 B4 H4 121.4 . . ?
B10 B4 H4 121.0 . . ?
C1 B5 B9 103.9(4) . . ?
C1 B5 B4 59.8(4) . . ?
B9 B5 B4 58.5(3) . . ?
C1 B5 B8 103.5(4) . . ?
B9 B5 B8 61.6(3) . . ?
B4 B5 B8 108.3(4) . . ?
C1 B5 H5 116.2 . . ?
B9 B5 H5 139.0 . . ?
B4 B5 H5 137.3 . . ?
B8 B5 H5 113.5 . . ?
C2 B7 B11 59.7(4) . . ?
C2 B7 B12 102.3(5) . . ?
B11 B7 B12 58.8(4) . . ?
C2 B7 B8 103.8(5) . . ?
B11 B7 B8 109.5(5) . . ?
B12 B7 B8 60.9(3) . . ?
C2 B7 H7 116.8 . . ?
B11 B7 H7 136.4 . . ?
B12 B7 H7 140.2 . . ?
B8 B7 H7 113.1 . . ?
C2 B7 H8 76.6 . . ?
B11 B7 H8 118.2 . . ?
B12 B7 H8 95.2 . . ?
B8 B7 H8 40.1 . . ?
H7 B7 H8 100.7 . . ?
B7 B8 Cl1 123.8(4) . . ?
B7 B8 B12 58.6(3) . . ?
Cl1 B8 B12 118.9(4) . . ?
B7 B8 B9 105.3(4) . . ?
Cl1 B8 B9 120.3(4) . . ?
B12 B8 B9 59.6(3) . . ?
B7 B8 B5 105.3(4) . . ?
Cl1 B8 B5 126.1(4) . . ?
B12 B8 B5 104.3(4) . . ?
B9 B8 B5 56.8(3) . . ?
B7 B8 H8 59.6 . . ?
Cl1 B8 H8 121.0 . . ?
B12 B8 H8 109.9 . . ?
B9 B8 H8 111.8 . . ?
B5 B8 H8 64.6 . . ?
B4 B9 B5 61.1(4) . . ?
B4 B9 B10 60.6(4) . . ?
B5 B9 B10 109.6(4) . . ?
B4 B9 B12 107.1(4) . . ?
B5 B9 B12 108.0(4) . . ?
B10 B9 B12 58.6(3) . . ?
B4 B9 B8 110.4(4) . . ?
B5 B9 B8 61.6(4) . . ?
B10 B9 B8 108.4(4) . . ?
B12 B9 B8 59.5(3) . . ?
B4 B9 S1 128.9(4) . . ?
B5 B9 S1 130.2(4) . . ?
B10 B9 S1 116.2(4) . . ?
B12 B9 S1 111.8(3) . . ?
B8 B9 S1 117.4(4) . . ?
B12 B10 B3 105.8(5) . . ?
B12 B10 B4 106.7(4) . . ?
B3 B10 B4 59.7(4) . . ?
B12 B10 B11 57.9(4) . . ?
B3 B10 B11 60.4(4) . . ?
B4 B10 B11 107.8(5) . . ?
B12 B10 B9 61.2(3) . . ?
B3 B10 B9 105.1(4) . . ?
B4 B10 B9 57.5(3) . . ?
B11 B10 B9 106.8(5) . . ?
B12 B10 H10 122.6 . . ?
B3 B10 H10 122.9 . . ?
B4 B10 H10 122.5 . . ?
B11 B10 H10 122.1 . . ?
B9 B10 H10 123.0 . . ?
C2 B11 B12 102.5(5) . . ?
C2 B11 B7 57.0(4) . . ?
B12 B11 B7 61.7(4) . . ?
C2 B11 B10 102.4(4) . . ?
B12 B11 B10 60.4(4) . . ?
B7 B11 B10 109.8(5) . . ?
C2 B11 B3 57.2(4) . . ?
B12 B11 B3 106.9(5) . . ?
B7 B11 B3 106.8(5) . . ?
B10 B11 B3 59.3(4) . . ?
C2 B11 H11 127.4 . . ?
B12 B11 H11 122.4 . . ?
B7 B11 H11 120.6 . . ?
B10 B11 H11 122.2 . . ?
B3 B11 H11 122.7 . . ?
B11 B12 B10 61.7(4) . . ?
B11 B12 B7 59.5(4) . . ?
B10 B12 B7 109.1(5) . . ?
B11 B12 B8 109.8(4) . . ?
B10 B12 B8 110.7(4) . . ?
B7 B12 B8 60.5(4) . . ?
B11 B12 B9 108.9(5) . . ?
B10 B12 B9 60.1(3) . . ?
B7 B12 B9 107.8(4) . . ?
B8 B12 B9 60.8(3) . . ?
B11 B12 S2 130.7(4) . . ?
B10 B12 S2 117.6(4) . . ?
B7 B12 S2 129.7(4) . . ?
B8 B12 S2 114.6(4) . . ?
B9 B12 S2 110.7(3) . . ?
C2 C1 B5 112.7(5) . . ?
C2 C1 B3 60.8(4) . . ?
B5 C1 B3 116.3(5) . . ?
C2 C1 B4 110.1(4) . . ?
B5 C1 B4 63.4(4) . . ?
B3 C1 B4 62.5(4) . . ?
C2 C1 H2 114.0 . . ?
B5 C1 H2 108.5 . . ?
B3 C1 H2 133.0 . . ?
B4 C1 H2 134.2 . . ?
C1 C2 B7 114.7(5) . . ?
C1 C2 B3 63.2(4) . . ?
B7 C2 B3 118.6(5) . . ?
C1 C2 B11 115.2(5) . . ?
B7 C2 B11 63.3(4) . . ?
B3 C2 B11 64.9(4) . . ?
C1 C2 H1 119.5 . . ?
B7 C2 H1 112.1 . . ?
B3 C2 H1 120.4 . . ?
B11 C2 H1 118.9 . . ?
C14 C13 C17 107.7(5) . . ?
C14 C13 C18 127.4(5) . . ?
C17 C13 C18 124.8(5) . . ?
C14 C13 Rh1 72.4(3) . . ?
C17 C13 Rh1 69.6(3) . . ?
C18 C13 Rh1 127.1(4) . . ?
C13 C14 C15 109.1(4) . . ?
C13 C14 C19 126.3(5) . . ?
C15 C14 C19 124.6(5) . . ?
C13 C14 Rh1 70.1(3) . . ?
C15 C14 Rh1 69.3(3) . . ?
C19 C14 Rh1 125.4(4) . . ?
C16 C15 C14 107.0(5) . . ?
C16 C15 C20 126.1(5) . . ?
C14 C15 C20 126.7(5) . . ?
C16 C15 Rh1 70.1(3) . . ?
C14 C15 Rh1 72.2(3) . . ?
C20 C15 Rh1 127.0(4) . . ?
C15 C16 C17 108.4(5) . . ?
C15 C16 C21 126.1(6) . . ?
C17 C16 C21 125.5(5) . . ?
C15 C16 Rh1 71.8(3) . . ?
C17 C16 Rh1 70.4(3) . . ?
C21 C16 Rh1 124.4(4) . . ?
C13 C17 C16 107.7(5) . . ?
C13 C17 C22 126.3(5) . . ?
C16 C17 C22 125.7(5) . . ?
C13 C17 Rh1 71.9(3) . . ?
C16 C17 Rh1 70.2(3) . . ?
C22 C17 Rh1 127.9(4) . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C28 C23 C24 118.6(5) . . ?
C28 C23 P1 120.0(4) . . ?
C24 C23 P1 121.4(4) . . ?
C23 C24 C25 120.2(6) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 H24 119.9 . . ?
C26 C25 C24 120.2(6) . . ?
C26 C25 H25 119.9 . . ?
C24 C25 H25 119.9 . . ?
C25 C26 C27 118.9(5) . . ?
C25 C26 H26 120.5 . . ?
C27 C26 H26 120.5 . . ?
C28 C27 C26 119.4(6) . . ?
C28 C27 H27 120.3 . . ?
C26 C27 H27 120.3 . . ?
C23 C28 C27 122.4(6) . . ?
C23 C28 H28 118.8 . . ?
C27 C28 H28 118.8 . . ?
C34 C29 C30 118.7(5) . . ?
C34 C29 P1 117.5(4) . . ?
C30 C29 P1 123.5(4) . . ?
C29 C30 C31 121.2(5) . . ?
C29 C30 H30 119.4 . . ?
C31 C30 H30 119.4 . . ?
C32 C31 C30 119.1(5) . . ?
C32 C31 H31 120.4 . . ?
C30 C31 H31 120.4 . . ?
C33 C32 C31 120.0(6) . . ?
C33 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
C32 C33 C34 119.5(5) . . ?
C32 C33 H33 120.3 . . ?
C34 C33 H33 120.3 . . ?
C29 C34 C33 121.4(5) . . ?
C29 C34 H34 119.3 . . ?
C33 C34 H34 119.3 . . ?
C40 C35 C36 120.2(5) . . ?
C40 C35 P1 119.6(4) . . ?
C36 C35 P1 120.0(4) . . ?
C35 C36 C37 119.2(5) . . ?
C35 C36 H36 120.4 . . ?
C37 C36 H36 120.4 . . ?
C38 C37 C36 119.6(6) . . ?
C38 C37 H37 120.2 . . ?
C36 C37 H37 120.2 . . ?
C39 C38 C37 119.9(6) . . ?
C39 C38 H38 120.1 . . ?
C37 C38 H38 120.1 . . ?
C38 C39 C40 120.9(6) . . ?
C38 C39 H39 119.5 . . ?
C40 C39 H39 119.5 . . ?
C35 C40 C39 120.2(6) . . ?
C35 C40 H40 119.9 . . ?
C39 C40 H40 119.9 . . ?
O1 C1A Rh2 174.6(5) . . ?
B8 Cl1 Rh2 93.67(19) . . ?
C23 P1 C29 105.6(2) . . ?
C23 P1 C35 101.4(2) . . ?
C29 P1 C35 100.7(2) . . ?
C23 P1 Rh2 116.45(15) . . ?
C29 P1 Rh2 112.78(17) . . ?
C35 P1 Rh2 117.91(16) . . ?
C16 Rh1 C17 39.41(19) . . ?
C16 Rh1 C15 38.07(19) . . ?
C17 Rh1 C15 64.91(19) . . ?
C16 Rh1 C13 64.88(19) . . ?
C17 Rh1 C13 38.44(18) . . ?
C15 Rh1 C13 64.7(2) . . ?
C16 Rh1 C14 63.56(19) . . ?
C17 Rh1 C14 63.38(19) . . ?
C15 Rh1 C14 38.6(2) . . ?
C13 Rh1 C14 37.5(2) . . ?
C16 Rh1 S2 104.95(15) . . ?
C17 Rh1 S2 135.32(14) . . ?
C15 Rh1 S2 105.02(16) . . ?
C13 Rh1 S2 169.11(14) . . ?
C14 Rh1 S2 135.72(16) . . ?
C16 Rh1 S1 145.75(16) . . ?
C17 Rh1 S1 112.14(14) . . ?
C15 Rh1 S1 168.16(15) . . ?
C13 Rh1 S1 105.47(15) . . ?
C14 Rh1 S1 129.60(15) . . ?
S2 Rh1 S1 85.14(5) . . ?
C16 Rh1 Rh2 154.54(16) . . ?
C17 Rh1 Rh2 165.48(14) . . ?
C15 Rh1 Rh2 123.78(14) . . ?
C13 Rh1 Rh2 131.08(13) . . ?
C14 Rh1 Rh2 114.92(13) . . ?
S2 Rh1 Rh2 56.92(4) . . ?
S1 Rh1 Rh2 56.73(4) . . ?
C1A Rh2 P1 89.69(16) . . ?
C1A Rh2 S1 155.47(17) . . ?
P1 Rh2 S1 94.51(5) . . ?
C1A Rh2 S2 91.22(16) . . ?
P1 Rh2 S2 174.89(5) . . ?
S1 Rh2 S2 82.61(5) . . ?
C1A Rh2 Rh1 102.45(17) . . ?
P1 Rh2 Rh1 120.28(4) . . ?
S1 Rh2 Rh1 54.89(3) . . ?
S2 Rh2 Rh1 54.62(4) . . ?
C1A Rh2 Cl1 112.98(17) . . ?
P1 Rh2 Cl1 98.53(5) . . ?
S1 Rh2 Cl1 90.31(4) . . ?
S2 Rh2 Cl1 85.75(5) . . ?
Rh1 Rh2 Cl1 127.09(4) . . ?
B9 S1 Rh1 104.48(18) . . ?
B9 S1 Rh2 99.01(18) . . ?
Rh1 S1 Rh2 68.39(4) . . ?
B12 S2 Rh1 104.6(2) . . ?
B12 S2 Rh2 100.32(18) . . ?
Rh1 S2 Rh2 68.46(4) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2 B3 B4 C1 -35.2(4) . . . . ?
B10 B3 B4 C1 -133.6(5) . . . . ?
B11 B3 B4 C1 -95.5(6) . . . . ?
C2 B3 B4 B9 58.9(6) . . . . ?
C1 B3 B4 B9 94.1(5) . . . . ?
B10 B3 B4 B9 -39.5(5) . . . . ?
B11 B3 B4 B9 -1.4(7) . . . . ?
C2 B3 B4 B5 -5.0(6) . . . . ?
C1 B3 B4 B5 30.2(4) . . . . ?
B10 B3 B4 B5 -103.4(5) . . . . ?
B11 B3 B4 B5 -65.3(6) . . . . ?
C2 B3 B4 B10 98.3(5) . . . . ?
C1 B3 B4 B10 133.6(5) . . . . ?
B11 B3 B4 B10 38.1(5) . . . . ?
B9 B4 B5 C1 -133.1(5) . . . . ?
B3 B4 B5 C1 -30.9(4) . . . . ?
B10 B4 B5 C1 -94.6(5) . . . . ?
C1 B4 B5 B9 133.1(5) . . . . ?
B3 B4 B5 B9 102.1(5) . . . . ?
B10 B4 B5 B9 38.4(4) . . . . ?
C1 B4 B5 B8 95.3(4) . . . . ?
B9 B4 B5 B8 -37.8(4) . . . . ?
B3 B4 B5 B8 64.3(5) . . . . ?
B10 B4 B5 B8 0.6(6) . . . . ?
C2 B7 B8 Cl1 157.7(4) . . . . ?
B11 B7 B8 Cl1 -140.0(5) . . . . ?
B12 B7 B8 Cl1 -105.8(5) . . . . ?
C2 B7 B8 B12 -96.5(5) . . . . ?
B11 B7 B8 B12 -34.2(4) . . . . ?
C2 B7 B8 B9 -57.9(5) . . . . ?
B11 B7 B8 B9 4.4(6) . . . . ?
B12 B7 B8 B9 38.6(4) . . . . ?
C2 B7 B8 B5 1.2(6) . . . . ?
B11 B7 B8 B5 63.5(5) . . . . ?
B12 B7 B8 B5 97.7(5) . . . . ?
C1 B5 B8 B7 0.1(6) . . . . ?
B9 B5 B8 B7 -98.6(4) . . . . ?
B4 B5 B8 B7 -62.1(5) . . . . ?
C1 B5 B8 Cl1 -155.7(4) . . . . ?
B9 B5 B8 Cl1 105.7(5) . . . . ?
B4 B5 B8 Cl1 142.1(4) . . . . ?
C1 B5 B8 B12 60.9(5) . . . . ?
B9 B5 B8 B12 -37.8(4) . . . . ?
B4 B5 B8 B12 -1.3(5) . . . . ?
C1 B5 B8 B9 98.7(5) . . . . ?
B4 B5 B8 B9 36.5(4) . . . . ?
C1 B4 B9 B5 -38.9(4) . . . . ?
B3 B4 B9 B5 -99.9(5) . . . . ?
B10 B4 B9 B5 -138.5(5) . . . . ?
C1 B4 B9 B10 99.7(5) . . . . ?
B5 B4 B9 B10 138.5(5) . . . . ?
B3 B4 B9 B10 38.6(5) . . . . ?
C1 B4 B9 B12 62.7(5) . . . . ?
B5 B4 B9 B12 101.5(4) . . . . ?
B3 B4 B9 B12 1.6(6) . . . . ?
B10 B4 B9 B12 -37.0(4) . . . . ?
C1 B4 B9 B8 -0.5(6) . . . . ?
B5 B4 B9 B8 38.4(4) . . . . ?
B3 B4 B9 B8 -61.5(6) . . . . ?
B10 B4 B9 B8 -100.2(5) . . . . ?
C1 B4 B9 S1 -158.9(4) . . . . ?
B5 B4 B9 S1 -120.1(5) . . . . ?
B3 B4 B9 S1 140.0(5) . . . . ?
B10 B4 B9 S1 101.4(6) . . . . ?
C1 B5 B9 B4 40.6(4) . . . . ?
B8 B5 B9 B4 138.6(4) . . . . ?
C1 B5 B9 B10 2.8(6) . . . . ?
B4 B5 B9 B10 -37.8(4) . . . . ?
B8 B5 B9 B10 100.8(5) . . . . ?
C1 B5 B9 B12 -59.4(6) . . . . ?
B4 B5 B9 B12 -100.0(5) . . . . ?
B8 B5 B9 B12 38.6(4) . . . . ?
C1 B5 B9 B8 -98.0(5) . . . . ?
B4 B5 B9 B8 -138.6(4) . . . . ?
C1 B5 B9 S1 158.9(5) . . . . ?
B4 B5 B9 S1 118.3(6) . . . . ?
B8 B5 B9 S1 -103.1(5) . . . . ?
B7 B8 B9 B4 60.3(5) . . . . ?
Cl1 B8 B9 B4 -153.8(4) . . . . ?
B12 B8 B9 B4 98.4(5) . . . . ?
B5 B8 B9 B4 -38.2(4) . . . . ?
B7 B8 B9 B5 98.5(4) . . . . ?
Cl1 B8 B9 B5 -115.6(5) . . . . ?
B12 B8 B9 B5 136.6(4) . . . . ?
B7 B8 B9 B10 -4.4(5) . . . . ?
Cl1 B8 B9 B10 141.5(4) . . . . ?
B12 B8 B9 B10 33.7(4) . . . . ?
B5 B8 B9 B10 -102.8(4) . . . . ?
B7 B8 B9 B12 -38.1(4) . . . . ?
Cl1 B8 B9 B12 107.8(5) . . . . ?
B5 B8 B9 B12 -136.6(4) . . . . ?
B7 B8 B9 S1 -138.5(4) . . . . ?
Cl1 B8 B9 S1 7.4(6) . . . . ?
B12 B8 B9 S1 -100.4(4) . . . . ?
B5 B8 B9 S1 123.1(4) . . . . ?
C2 B3 B10 B12 2.6(6) . . . . ?
C1 B3 B10 B12 60.5(6) . . . . ?
B4 B3 B10 B12 100.4(5) . . . . ?
B11 B3 B10 B12 -37.2(4) . . . . ?
C2 B3 B10 B4 -97.8(5) . . . . ?
C1 B3 B10 B4 -39.9(5) . . . . ?
B11 B3 B10 B4 -137.6(5) . . . . ?
C2 B3 B10 B11 39.8(4) . . . . ?
C1 B3 B10 B11 97.7(6) . . . . ?
B4 B3 B10 B11 137.6(5) . . . . ?
C2 B3 B10 B9 -61.2(6) . . . . ?
C1 B3 B10 B9 -3.3(6) . . . . ?
B4 B3 B10 B9 36.6(4) . . . . ?
B11 B3 B10 B9 -101.0(5) . . . . ?
C1 B4 B10 B12 -59.1(6) . . . . ?
B9 B4 B10 B12 38.1(4) . . . . ?
B5 B4 B10 B12 0.3(6) . . . . ?
B3 B4 B10 B12 -98.9(5) . . . . ?
C1 B4 B10 B3 39.8(5) . . . . ?
B9 B4 B10 B3 137.0(5) . . . . ?
B5 B4 B10 B3 99.2(5) . . . . ?
C1 B4 B10 B11 1.7(6) . . . . ?
B9 B4 B10 B11 98.9(5) . . . . ?
B5 B4 B10 B11 61.2(5) . . . . ?
B3 B4 B10 B11 -38.0(5) . . . . ?
C1 B4 B10 B9 -97.2(5) . . . . ?
B5 B4 B10 B9 -37.8(4) . . . . ?
B3 B4 B10 B9 -137.0(5) . . . . ?
B4 B9 B10 B12 -137.6(5) . . . . ?
B5 B9 B10 B12 -99.6(5) . . . . ?
B8 B9 B10 B12 -34.1(4) . . . . ?
S1 B9 B10 B12 100.6(4) . . . . ?
B4 B9 B10 B3 -37.6(5) . . . . ?
B5 B9 B10 B3 0.4(6) . . . . ?
B12 B9 B10 B3 100.0(5) . . . . ?
B8 B9 B10 B3 65.9(5) . . . . ?
S1 B9 B10 B3 -159.4(4) . . . . ?
B5 B9 B10 B4 38.0(4) . . . . ?
B12 B9 B10 B4 137.6(5) . . . . ?
B8 B9 B10 B4 103.5(5) . . . . ?
S1 B9 B10 B4 -121.8(5) . . . . ?
B4 B9 B10 B11 -100.7(5) . . . . ?
B5 B9 B10 B11 -62.7(5) . . . . ?
B12 B9 B10 B11 36.9(4) . . . . ?
B8 B9 B10 B11 2.8(5) . . . . ?
S1 B9 B10 B11 137.5(4) . . . . ?
B12 B7 B11 C2 -130.0(5) . . . . ?
B8 B7 B11 C2 -94.9(5) . . . . ?
C2 B7 B11 B12 130.0(5) . . . . ?
B8 B7 B11 B12 35.1(4) . . . . ?
C2 B7 B11 B10 92.2(5) . . . . ?
B12 B7 B11 B10 -37.8(4) . . . . ?
B8 B7 B11 B10 -2.7(6) . . . . ?
C2 B7 B11 B3 29.5(4) . . . . ?
B12 B7 B11 B3 -100.5(5) . . . . ?
B8 B7 B11 B3 -65.5(5) . . . . ?
B12 B10 B11 C2 97.5(5) . . . . ?
B3 B10 B11 C2 -39.1(4) . . . . ?
B4 B10 B11 C2 -1.4(6) . . . . ?
B9 B10 B11 C2 59.1(5) . . . . ?
B3 B10 B11 B12 -136.6(5) . . . . ?
B4 B10 B11 B12 -98.9(5) . . . . ?
B9 B10 B11 B12 -38.5(4) . . . . ?
B12 B10 B11 B7 38.4(4) . . . . ?
B3 B10 B11 B7 -98.3(5) . . . . ?
B4 B10 B11 B7 -60.5(6) . . . . ?
B9 B10 B11 B7 -0.1(6) . . . . ?
B12 B10 B11 B3 136.6(5) . . . . ?
B4 B10 B11 B3 37.7(5) . . . . ?
B9 B10 B11 B3 98.2(5) . . . . ?
C1 B3 B11 C2 33.5(4) . . . . ?
B4 B3 B11 C2 94.8(5) . . . . ?
B10 B3 B11 C2 132.8(5) . . . . ?
C2 B3 B11 B12 -94.2(5) . . . . ?
C1 B3 B11 B12 -60.7(6) . . . . ?
B4 B3 B11 B12 0.6(7) . . . . ?
B10 B3 B11 B12 38.6(4) . . . . ?
C2 B3 B11 B7 -29.4(4) . . . . ?
C1 B3 B11 B7 4.1(5) . . . . ?
B4 B3 B11 B7 65.4(6) . . . . ?
B10 B3 B11 B7 103.5(5) . . . . ?
C2 B3 B11 B10 -132.8(5) . . . . ?
C1 B3 B11 B10 -99.3(5) . . . . ?
B4 B3 B11 B10 -38.1(5) . . . . ?
C2 B11 B12 B10 -97.3(5) . . . . ?
B7 B11 B12 B10 -138.5(5) . . . . ?
B3 B11 B12 B10 -38.1(5) . . . . ?
C2 B11 B12 B7 41.2(5) . . . . ?
B10 B11 B12 B7 138.5(5) . . . . ?
B3 B11 B12 B7 100.4(6) . . . . ?
C2 B11 B12 B8 6.2(6) . . . . ?
B7 B11 B12 B8 -35.0(5) . . . . ?
B10 B11 B12 B8 103.4(5) . . . . ?
B3 B11 B12 B8 65.4(6) . . . . ?
C2 B11 B12 B9 -58.7(6) . . . . ?
B7 B11 B12 B9 -100.0(5) . . . . ?
B10 B11 B12 B9 38.5(4) . . . . ?
B3 B11 B12 B9 0.4(6) . . . . ?
C2 B11 B12 S2 159.4(5) . . . . ?
B7 B11 B12 S2 118.2(6) . . . . ?
B10 B11 B12 S2 -103.4(6) . . . . ?
B3 B11 B12 S2 -141.5(5) . . . . ?
B3 B10 B12 B11 38.4(5) . . . . ?
B4 B10 B12 B11 100.8(5) . . . . ?
B9 B10 B12 B11 137.2(5) . . . . ?
B3 B10 B12 B7 1.1(6) . . . . ?
B4 B10 B12 B7 63.6(5) . . . . ?
B11 B10 B12 B7 -37.2(4) . . . . ?
B9 B10 B12 B7 100.0(5) . . . . ?
B3 B10 B12 B8 -63.7(5) . . . . ?
B4 B10 B12 B8 -1.2(6) . . . . ?
B11 B10 B12 B8 -102.0(5) . . . . ?
B9 B10 B12 B8 35.2(4) . . . . ?
B3 B10 B12 B9 -98.9(5) . . . . ?
B4 B10 B12 B9 -36.4(4) . . . . ?
B11 B10 B12 B9 -137.2(5) . . . . ?
B3 B10 B12 S2 162.0(4) . . . . ?
B4 B10 B12 S2 -135.5(4) . . . . ?
B11 B10 B12 S2 123.6(5) . . . . ?
B9 B10 B12 S2 -99.1(4) . . . . ?
C2 B7 B12 B11 -42.6(4) . . . . ?
B8 B7 B12 B11 -141.7(5) . . . . ?
C2 B7 B12 B10 -4.4(6) . . . . ?
B11 B7 B12 B10 38.2(4) . . . . ?
B8 B7 B12 B10 -103.5(5) . . . . ?
C2 B7 B12 B8 99.1(5) . . . . ?
B11 B7 B12 B8 141.7(5) . . . . ?
C2 B7 B12 B9 59.3(6) . . . . ?
B11 B7 B12 B9 101.9(5) . . . . ?
B8 B7 B12 B9 -39.8(4) . . . . ?
C2 B7 B12 S2 -162.2(4) . . . . ?
B11 B7 B12 S2 -119.6(5) . . . . ?
B8 B7 B12 S2 98.7(5) . . . . ?
B7 B8 B12 B11 34.6(5) . . . . ?
Cl1 B8 B12 B11 148.7(4) . . . . ?
B9 B8 B12 B11 -101.2(5) . . . . ?
B5 B8 B12 B11 -64.7(5) . . . . ?
B7 B8 B12 B10 100.9(5) . . . . ?
Cl1 B8 B12 B10 -145.1(4) . . . . ?
B9 B8 B12 B10 -34.9(4) . . . . ?
B5 B8 B12 B10 1.6(5) . . . . ?
Cl1 B8 B12 B7 114.0(5) . . . . ?
B9 B8 B12 B7 -135.8(5) . . . . ?
B5 B8 B12 B7 -99.3(4) . . . . ?
B7 B8 B12 B9 135.8(5) . . . . ?
Cl1 B8 B12 B9 -110.2(5) . . . . ?
B5 B8 B12 B9 36.5(4) . . . . ?
B7 B8 B12 S2 -123.3(5) . . . . ?
Cl1 B8 B12 S2 -9.3(6) . . . . ?
B9 B8 B12 S2 100.9(4) . . . . ?
B5 B8 B12 S2 137.4(4) . . . . ?
B4 B9 B12 B11 -1.3(6) . . . . ?
B5 B9 B12 B11 63.2(6) . . . . ?
B10 B9 B12 B11 -39.2(4) . . . . ?
B8 B9 B12 B11 102.7(5) . . . . ?
S1 B9 B12 B11 -147.5(4) . . . . ?
B4 B9 B12 B10 37.9(4) . . . . ?
B5 B9 B12 B10 102.4(5) . . . . ?
B8 B9 B12 B10 141.9(4) . . . . ?
S1 B9 B12 B10 -108.3(4) . . . . ?
B4 B9 B12 B7 -64.3(6) . . . . ?
B5 B9 B12 B7 0.1(6) . . . . ?
B10 B9 B12 B7 -102.3(5) . . . . ?
B8 B9 B12 B7 39.6(4) . . . . ?
S1 B9 B12 B7 149.4(4) . . . . ?
B4 B9 B12 B8 -104.0(5) . . . . ?
B5 B9 B12 B8 -39.5(4) . . . . ?
B10 B9 B12 B8 -141.9(4) . . . . ?
S1 B9 B12 B8 109.8(4) . . . . ?
B4 B9 B12 S2 148.7(4) . . . . ?
B5 B9 B12 S2 -146.8(4) . . . . ?
B10 B9 B12 S2 110.8(4) . . . . ?
B8 B9 B12 S2 -107.4(4) . . . . ?
S1 B9 B12 S2 2.5(5) . . . . ?
B9 B5 C1 C2 62.1(6) . . . . ?
B4 B5 C1 C2 102.0(5) . . . . ?
B8 B5 C1 C2 -1.5(6) . . . . ?
B9 B5 C1 B3 -5.4(7) . . . . ?
B4 B5 C1 B3 34.6(5) . . . . ?
B8 B5 C1 B3 -69.0(6) . . . . ?
B9 B5 C1 B4 -39.9(4) . . . . ?
B8 B5 C1 B4 -103.5(5) . . . . ?
B4 B3 C1 C2 -137.4(5) . . . . ?
B10 B3 C1 C2 -96.8(5) . . . . ?
B11 B3 C1 C2 -34.3(4) . . . . ?
C2 B3 C1 B5 102.5(6) . . . . ?
B4 B3 C1 B5 -34.9(5) . . . . ?
B10 B3 C1 B5 5.7(7) . . . . ?
B11 B3 C1 B5 68.2(6) . . . . ?
C2 B3 C1 B4 137.4(5) . . . . ?
B10 B3 C1 B4 40.6(5) . . . . ?
B11 B3 C1 B4 103.1(5) . . . . ?
B9 B4 C1 C2 -65.3(6) . . . . ?
B5 B4 C1 C2 -106.0(6) . . . . ?
B3 B4 C1 C2 39.0(5) . . . . ?
B10 B4 C1 C2 -1.4(7) . . . . ?
B9 B4 C1 B5 40.7(4) . . . . ?
B3 B4 C1 B5 145.0(5) . . . . ?
B10 B4 C1 B5 104.6(5) . . . . ?
B9 B4 C1 B3 -104.3(5) . . . . ?
B5 B4 C1 B3 -145.0(5) . . . . ?
B10 B4 C1 B3 -40.4(5) . . . . ?
B5 C1 C2 B7 2.6(7) . . . . ?
B3 C1 C2 B7 111.0(6) . . . . ?
B4 C1 C2 B7 71.3(7) . . . . ?
B5 C1 C2 B3 -108.4(5) . . . . ?
B4 C1 C2 B3 -39.7(5) . . . . ?
B5 C1 C2 B11 -68.1(7) . . . . ?
B3 C1 C2 B11 40.3(5) . . . . ?
B4 C1 C2 B11 0.6(8) . . . . ?
B11 B7 C2 C1 -107.0(5) . . . . ?
B12 B7 C2 C1 -64.9(6) . . . . ?
B8 B7 C2 C1 -2.3(7) . . . . ?
B11 B7 C2 B3 -35.3(5) . . . . ?
B12 B7 C2 B3 6.8(7) . . . . ?
B8 B7 C2 B3 69.5(6) . . . . ?
B12 B7 C2 B11 42.1(4) . . . . ?
B8 B7 C2 B11 104.7(5) . . . . ?
B4 B3 C2 C1 36.5(4) . . . . ?
B10 B3 C2 C1 98.7(5) . . . . ?
B11 B3 C2 C1 139.7(5) . . . . ?
C1 B3 C2 B7 -105.0(6) . . . . ?
B4 B3 C2 B7 -68.4(6) . . . . ?
B10 B3 C2 B7 -6.2(7) . . . . ?
B11 B3 C2 B7 34.7(5) . . . . ?
C1 B3 C2 B11 -139.7(5) . . . . ?
B4 B3 C2 B11 -103.2(5) . . . . ?
B10 B3 C2 B11 -41.0(4) . . . . ?
B12 B11 C2 C1 62.6(7) . . . . ?
B7 B11 C2 C1 106.3(6) . . . . ?
B10 B11 C2 C1 0.5(7) . . . . ?
B3 B11 C2 C1 -39.6(5) . . . . ?
B12 B11 C2 B7 -43.7(5) . . . . ?
B10 B11 C2 B7 -105.8(5) . . . . ?
B3 B11 C2 B7 -145.9(5) . . . . ?
B12 B11 C2 B3 102.2(5) . . . . ?
B7 B11 C2 B3 145.9(5) . . . . ?
B10 B11 C2 B3 40.2(4) . . . . ?
C17 C13 C14 C15 -2.6(6) . . . . ?
C18 C13 C14 C15 -177.9(5) . . . . ?
Rh1 C13 C14 C15 58.4(4) . . . . ?
C17 C13 C14 C19 179.0(5) . . . . ?
C18 C13 C14 C19 3.7(9) . . . . ?
Rh1 C13 C14 C19 -120.0(5) . . . . ?
C17 C13 C14 Rh1 -61.0(3) . . . . ?
C18 C13 C14 Rh1 123.7(5) . . . . ?
C13 C14 C15 C16 2.9(6) . . . . ?
C19 C14 C15 C16 -178.7(5) . . . . ?
Rh1 C14 C15 C16 61.8(4) . . . . ?
C13 C14 C15 C20 177.7(5) . . . . ?
C19 C14 C15 C20 -3.9(9) . . . . ?
Rh1 C14 C15 C20 -123.3(6) . . . . ?
C13 C14 C15 Rh1 -58.9(4) . . . . ?
C19 C14 C15 Rh1 119.5(5) . . . . ?
C14 C15 C16 C17 -2.0(6) . . . . ?
C20 C15 C16 C17 -176.9(5) . . . . ?
Rh1 C15 C16 C17 61.2(4) . . . . ?
C14 C15 C16 C21 177.1(5) . . . . ?
C20 C15 C16 C21 2.1(9) . . . . ?
Rh1 C15 C16 C21 -119.8(6) . . . . ?
C14 C15 C16 Rh1 -63.2(4) . . . . ?
C20 C15 C16 Rh1 121.9(6) . . . . ?
C14 C13 C17 C16 1.4(6) . . . . ?
C18 C13 C17 C16 176.8(5) . . . . ?
Rh1 C13 C17 C16 -61.4(4) . . . . ?
C14 C13 C17 C22 -173.0(5) . . . . ?
C18 C13 C17 C22 2.4(8) . . . . ?
Rh1 C13 C17 C22 124.2(5) . . . . ?
C14 C13 C17 Rh1 62.8(4) . . . . ?
C18 C13 C17 Rh1 -121.8(5) . . . . ?
C15 C16 C17 C13 0.4(6) . . . . ?
C21 C16 C17 C13 -178.6(5) . . . . ?
Rh1 C16 C17 C13 62.5(3) . . . . ?
C15 C16 C17 C22 174.8(5) . . . . ?
C21 C16 C17 C22 -4.2(9) . . . . ?
Rh1 C16 C17 C22 -123.0(5) . . . . ?
C15 C16 C17 Rh1 -62.1(4) . . . . ?
C21 C16 C17 Rh1 118.9(6) . . . . ?
C28 C23 C24 C25 4.1(7) . . . . ?
P1 C23 C24 C25 -178.8(4) . . . . ?
C23 C24 C25 C26 -2.6(8) . . . . ?
C24 C25 C26 C27 1.8(8) . . . . ?
C25 C26 C27 C28 -2.5(8) . . . . ?
C24 C23 C28 C27 -5.0(8) . . . . ?
P1 C23 C28 C27 177.9(4) . . . . ?
C26 C27 C28 C23 4.2(9) . . . . ?
C34 C29 C30 C31 -0.6(8) . . . . ?
P1 C29 C30 C31 173.3(4) . . . . ?
C29 C30 C31 C32 0.6(9) . . . . ?
C30 C31 C32 C33 0.6(9) . . . . ?
C31 C32 C33 C34 -1.8(9) . . . . ?
C30 C29 C34 C33 -0.7(8) . . . . ?
P1 C29 C34 C33 -174.9(4) . . . . ?
C32 C33 C34 C29 1.9(9) . . . . ?
C40 C35 C36 C37 2.1(9) . . . . ?
P1 C35 C36 C37 177.5(5) . . . . ?
C35 C36 C37 C38 -0.9(9) . . . . ?
C36 C37 C38 C39 -0.3(10) . . . . ?
C37 C38 C39 C40 0.3(10) . . . . ?
C36 C35 C40 C39 -2.2(9) . . . . ?
P1 C35 C40 C39 -177.6(5) . . . . ?
C38 C39 C40 C35 1.0(10) . . . . ?
B7 B8 Cl1 Rh2 107.6(4) . . . . ?
B12 B8 Cl1 Rh2 37.9(4) . . . . ?
B9 B8 Cl1 Rh2 -31.8(4) . . . . ?
B5 B8 Cl1 Rh2 -100.8(4) . . . . ?
C28 C23 P1 C29 -143.7(4) . . . . ?
C24 C23 P1 C29 39.3(4) . . . . ?
C28 C23 P1 C35 -39.0(5) . . . . ?
C24 C23 P1 C35 143.9(4) . . . . ?
C28 C23 P1 Rh2 90.3(4) . . . . ?
C24 C23 P1 Rh2 -86.7(4) . . . . ?
C34 C29 P1 C23 -160.9(4) . . . . ?
C30 C29 P1 C23 25.2(5) . . . . ?
C34 C29 P1 C35 93.9(4) . . . . ?
C30 C29 P1 C35 -80.0(5) . . . . ?
C34 C29 P1 Rh2 -32.6(5) . . . . ?
C30 C29 P1 Rh2 153.5(4) . . . . ?
C40 C35 P1 C23 -52.2(5) . . . . ?
C36 C35 P1 C23 132.4(4) . . . . ?
C40 C35 P1 C29 56.3(5) . . . . ?
C36 C35 P1 C29 -119.1(5) . . . . ?
C40 C35 P1 Rh2 179.4(4) . . . . ?
C36 C35 P1 Rh2 4.0(5) . . . . ?
C15 C16 Rh1 C17 118.1(4) . . . . ?
C21 C16 Rh1 C17 -120.2(6) . . . . ?
C17 C16 Rh1 C15 -118.1(4) . . . . ?
C21 C16 Rh1 C15 121.8(7) . . . . ?
C15 C16 Rh1 C13 80.4(4) . . . . ?
C17 C16 Rh1 C13 -37.6(3) . . . . ?
C21 C16 Rh1 C13 -157.8(6) . . . . ?
C15 C16 Rh1 C14 38.6(3) . . . . ?
C17 C16 Rh1 C14 -79.5(3) . . . . ?
C21 C16 Rh1 C14 160.4(6) . . . . ?
C15 C16 Rh1 S2 -95.4(3) . . . . ?
C17 C16 Rh1 S2 146.5(3) . . . . ?
C21 C16 Rh1 S2 26.4(5) . . . . ?
C15 C16 Rh1 S1 160.9(3) . . . . ?
C17 C16 Rh1 S1 42.9(4) . . . . ?
C21 C16 Rh1 S1 -77.3(6) . . . . ?
C15 C16 Rh1 Rh2 -54.3(5) . . . . ?
C17 C16 Rh1 Rh2 -172.3(3) . . . . ?
C21 C16 Rh1 Rh2 67.5(6) . . . . ?
C13 C17 Rh1 C16 -117.2(4) . . . . ?
C22 C17 Rh1 C16 120.4(6) . . . . ?
C13 C17 Rh1 C15 -80.3(3) . . . . ?
C16 C17 Rh1 C15 36.9(3) . . . . ?
C22 C17 Rh1 C15 157.4(6) . . . . ?
C16 C17 Rh1 C13 117.2(4) . . . . ?
C22 C17 Rh1 C13 -122.3(6) . . . . ?
C13 C17 Rh1 C14 -37.3(3) . . . . ?
C16 C17 Rh1 C14 80.0(3) . . . . ?
C22 C17 Rh1 C14 -159.6(6) . . . . ?
C13 C17 Rh1 S2 -166.5(3) . . . . ?
C16 C17 Rh1 S2 -49.3(4) . . . . ?
C22 C17 Rh1 S2 71.2(5) . . . . ?
C13 C17 Rh1 S1 87.2(3) . . . . ?
C16 C17 Rh1 S1 -155.6(3) . . . . ?
C22 C17 Rh1 S1 -35.1(5) . . . . ?
C13 C17 Rh1 Rh2 49.5(7) . . . . ?
C16 C17 Rh1 Rh2 166.8(4) . . . . ?
C22 C17 Rh1 Rh2 -72.8(8) . . . . ?
C14 C15 Rh1 C16 116.3(5) . . . . ?
C20 C15 Rh1 C16 -120.8(7) . . . . ?
C16 C15 Rh1 C17 -38.2(3) . . . . ?
C14 C15 Rh1 C17 78.1(3) . . . . ?
C20 C15 Rh1 C17 -159.0(6) . . . . ?
C16 C15 Rh1 C13 -80.9(3) . . . . ?
C14 C15 Rh1 C13 35.4(3) . . . . ?
C20 C15 Rh1 C13 158.4(6) . . . . ?
C16 C15 Rh1 C14 -116.3(5) . . . . ?
C20 C15 Rh1 C14 122.9(6) . . . . ?
C16 C15 Rh1 S2 95.2(3) . . . . ?
C14 C15 Rh1 S2 -148.5(3) . . . . ?
C20 C15 Rh1 S2 -25.6(5) . . . . ?
C16 C15 Rh1 S1 -116.3(7) . . . . ?
C14 C15 Rh1 S1 0.0(9) . . . . ?
C20 C15 Rh1 S1 122.9(7) . . . . ?
C16 C15 Rh1 Rh2 155.2(3) . . . . ?
C14 C15 Rh1 Rh2 -88.5(3) . . . . ?
C20 C15 Rh1 Rh2 34.4(6) . . . . ?
C14 C13 Rh1 C16 -78.6(3) . . . . ?
C17 C13 Rh1 C16 38.6(3) . . . . ?
C18 C13 Rh1 C16 157.4(6) . . . . ?
C14 C13 Rh1 C17 -117.2(4) . . . . ?
C18 C13 Rh1 C17 118.8(7) . . . . ?
C14 C13 Rh1 C15 -36.4(3) . . . . ?
C17 C13 Rh1 C15 80.8(3) . . . . ?
C18 C13 Rh1 C15 -160.3(6) . . . . ?
C17 C13 Rh1 C14 117.2(4) . . . . ?
C18 C13 Rh1 C14 -123.9(6) . . . . ?
C14 C13 Rh1 S2 -56.9(9) . . . . ?
C17 C13 Rh1 S2 60.4(10) . . . . ?
C18 C13 Rh1 S2 179.2(5) . . . . ?
C14 C13 Rh1 S1 136.5(3) . . . . ?
C17 C13 Rh1 S1 -106.3(3) . . . . ?
C18 C13 Rh1 S1 12.6(5) . . . . ?
C14 C13 Rh1 Rh2 77.4(3) . . . . ?
C17 C13 Rh1 Rh2 -165.3(2) . . . . ?
C18 C13 Rh1 Rh2 -46.5(6) . . . . ?
C13 C14 Rh1 C16 82.5(3) . . . . ?
C15 C14 Rh1 C16 -38.1(3) . . . . ?
C19 C14 Rh1 C16 -156.6(6) . . . . ?
C13 C14 Rh1 C17 38.2(3) . . . . ?
C15 C14 Rh1 C17 -82.4(3) . . . . ?
C19 C14 Rh1 C17 159.2(6) . . . . ?
C13 C14 Rh1 C15 120.6(4) . . . . ?
C19 C14 Rh1 C15 -118.4(7) . . . . ?
C15 C14 Rh1 C13 -120.6(4) . . . . ?
C19 C14 Rh1 C13 121.0(7) . . . . ?
C13 C14 Rh1 S2 166.9(2) . . . . ?
C15 C14 Rh1 S2 46.3(4) . . . . ?
C19 C14 Rh1 S2 -72.1(6) . . . . ?
C13 C14 Rh1 S1 -59.4(3) . . . . ?
C15 C14 Rh1 S1 180.0(2) . . . . ?
C19 C14 Rh1 S1 61.6(6) . . . . ?
C13 C14 Rh1 Rh2 -125.8(3) . . . . ?
C15 C14 Rh1 Rh2 113.6(3) . . . . ?
C19 C14 Rh1 Rh2 -4.8(6) . . . . ?
O1 C1A Rh2 P1 -118(5) . . . . ?
O1 C1A Rh2 S1 -18(5) . . . . ?
O1 C1A Rh2 S2 57(5) . . . . ?
O1 C1A Rh2 Rh1 3(5) . . . . ?
O1 C1A Rh2 Cl1 143(5) . . . . ?
C23 P1 Rh2 C1A 83.3(3) . . . . ?
C29 P1 Rh2 C1A -39.1(2) . . . . ?
C35 P1 Rh2 C1A -155.8(2) . . . . ?
C23 P1 Rh2 S1 -72.50(19) . . . . ?
C29 P1 Rh2 S1 165.13(18) . . . . ?
C35 P1 Rh2 S1 48.43(19) . . . . ?
C23 P1 Rh2 S2 -16.9(7) . . . . ?
C29 P1 Rh2 S2 -139.3(6) . . . . ?
C35 P1 Rh2 S2 104.0(6) . . . . ?
C23 P1 Rh2 Rh1 -21.0(2) . . . . ?
C29 P1 Rh2 Rh1 -143.33(17) . . . . ?
C35 P1 Rh2 Rh1 99.97(18) . . . . ?
C23 P1 Rh2 Cl1 -163.49(19) . . . . ?
C29 P1 Rh2 Cl1 74.14(18) . . . . ?
C35 P1 Rh2 Cl1 -42.57(19) . . . . ?
C16 Rh1 Rh2 C1A 33.2(4) . . . . ?
C17 Rh1 Rh2 C1A -127.1(6) . . . . ?
C15 Rh1 Rh2 C1A -3.8(2) . . . . ?
C13 Rh1 Rh2 C1A -88.2(3) . . . . ?
C14 Rh1 Rh2 C1A -47.2(2) . . . . ?
S2 Rh1 Rh2 C1A 82.53(17) . . . . ?
S1 Rh1 Rh2 C1A -169.63(17) . . . . ?
C16 Rh1 Rh2 P1 130.2(3) . . . . ?
C17 Rh1 Rh2 P1 -30.0(6) . . . . ?
C15 Rh1 Rh2 P1 93.20(19) . . . . ?
C13 Rh1 Rh2 P1 8.8(2) . . . . ?
C14 Rh1 Rh2 P1 49.81(18) . . . . ?
S2 Rh1 Rh2 P1 179.56(6) . . . . ?
S1 Rh1 Rh2 P1 -72.60(6) . . . . ?
C16 Rh1 Rh2 S1 -157.2(3) . . . . ?
C17 Rh1 Rh2 S1 42.6(6) . . . . ?
C15 Rh1 Rh2 S1 165.80(18) . . . . ?
C13 Rh1 Rh2 S1 81.4(2) . . . . ?
C14 Rh1 Rh2 S1 122.40(18) . . . . ?
S2 Rh1 Rh2 S1 -107.84(6) . . . . ?
C16 Rh1 Rh2 S2 -49.3(3) . . . . ?
C17 Rh1 Rh2 S2 150.4(6) . . . . ?
C15 Rh1 Rh2 S2 -86.36(19) . . . . ?
C13 Rh1 Rh2 S2 -170.7(2) . . . . ?
C14 Rh1 Rh2 S2 -129.75(18) . . . . ?
S1 Rh1 Rh2 S2 107.84(6) . . . . ?
C16 Rh1 Rh2 Cl1 -98.7(3) . . . . ?
C17 Rh1 Rh2 Cl1 101.0(6) . . . . ?
C15 Rh1 Rh2 Cl1 -135.75(18) . . . . ?
C13 Rh1 Rh2 Cl1 139.9(2) . . . . ?
C14 Rh1 Rh2 Cl1 -179.15(18) . . . . ?
S2 Rh1 Rh2 Cl1 -49.39(6) . . . . ?
S1 Rh1 Rh2 Cl1 58.45(5) . . . . ?
B8 Cl1 Rh2 C1A -133.8(3) . . . . ?
B8 Cl1 Rh2 P1 132.8(2) . . . . ?
B8 Cl1 Rh2 S1 38.2(2) . . . . ?
B8 Cl1 Rh2 S2 -44.3(2) . . . . ?
B8 Cl1 Rh2 Rh1 -6.0(2) . . . . ?
B4 B9 S1 Rh1 -107.2(5) . . . . ?
B5 B9 S1 Rh1 170.3(5) . . . . ?
B10 B9 S1 Rh1 -34.9(4) . . . . ?
B12 B9 S1 Rh1 29.7(4) . . . . ?
B8 B9 S1 Rh1 95.6(4) . . . . ?
B4 B9 S1 Rh2 -177.1(5) . . . . ?
B5 B9 S1 Rh2 100.4(5) . . . . ?
B10 B9 S1 Rh2 -104.8(4) . . . . ?
B12 B9 S1 Rh2 -40.2(4) . . . . ?
B8 B9 S1 Rh2 25.8(4) . . . . ?
C16 Rh1 S1 B9 68.7(3) . . . . ?
C17 Rh1 S1 B9 96.4(2) . . . . ?
C15 Rh1 S1 B9 169.5(7) . . . . ?
C13 Rh1 S1 B9 136.6(2) . . . . ?
C14 Rh1 S1 B9 169.5(3) . . . . ?
S2 Rh1 S1 B9 -40.9(2) . . . . ?
Rh2 Rh1 S1 B9 -94.1(2) . . . . ?
C16 Rh1 S1 Rh2 162.8(3) . . . . ?
C17 Rh1 S1 Rh2 -169.45(15) . . . . ?
C15 Rh1 S1 Rh2 -96.4(7) . . . . ?
C13 Rh1 S1 Rh2 -129.34(15) . . . . ?
C14 Rh1 S1 Rh2 -96.38(19) . . . . ?
S2 Rh1 S1 Rh2 53.18(4) . . . . ?
C1A Rh2 S1 B9 127.1(4) . . . . ?
P1 Rh2 S1 B9 -133.66(19) . . . . ?
S2 Rh2 S1 B9 50.59(19) . . . . ?
Rh1 Rh2 S1 B9 102.10(19) . . . . ?
Cl1 Rh2 S1 B9 -35.08(19) . . . . ?
C1A Rh2 S1 Rh1 25.0(4) . . . . ?
P1 Rh2 S1 Rh1 124.25(4) . . . . ?
S2 Rh2 S1 Rh1 -51.50(4) . . . . ?
Cl1 Rh2 S1 Rh1 -137.17(4) . . . . ?
B11 B12 S2 Rh1 107.7(6) . . . . ?
B10 B12 S2 Rh1 32.5(4) . . . . ?
B7 B12 S2 Rh1 -171.3(5) . . . . ?
B8 B12 S2 Rh1 -100.1(4) . . . . ?
B9 B12 S2 Rh1 -33.7(4) . . . . ?
B11 B12 S2 Rh2 177.9(5) . . . . ?
B10 B12 S2 Rh2 102.7(4) . . . . ?
B7 B12 S2 Rh2 -101.1(5) . . . . ?
B8 B12 S2 Rh2 -29.9(4) . . . . ?
B9 B12 S2 Rh2 36.5(4) . . . . ?
C16 Rh1 S2 B12 -104.2(2) . . . . ?
C17 Rh1 S2 B12 -74.3(3) . . . . ?
C15 Rh1 S2 B12 -143.7(2) . . . . ?
C13 Rh1 S2 B12 -124.6(8) . . . . ?
C14 Rh1 S2 B12 -171.5(3) . . . . ?
S1 Rh1 S2 B12 42.51(19) . . . . ?
Rh2 Rh1 S2 B12 95.52(19) . . . . ?
C16 Rh1 S2 Rh2 160.28(15) . . . . ?
C17 Rh1 S2 Rh2 -169.9(2) . . . . ?
C15 Rh1 S2 Rh2 120.81(15) . . . . ?
C13 Rh1 S2 Rh2 139.9(8) . . . . ?
C14 Rh1 S2 Rh2 93.0(2) . . . . ?
S1 Rh1 S2 Rh2 -53.01(4) . . . . ?
C1A Rh2 S2 B12 153.8(3) . . . . ?
P1 Rh2 S2 B12 -106.0(6) . . . . ?
S1 Rh2 S2 B12 -50.0(2) . . . . ?
Rh1 Rh2 S2 B12 -101.7(2) . . . . ?
Cl1 Rh2 S2 B12 40.9(2) . . . . ?
C1A Rh2 S2 Rh1 -104.44(17) . . . . ?
P1 Rh2 S2 Rh1 -4.3(6) . . . . ?
S1 Rh2 S2 Rh1 51.74(4) . . . . ?
Cl1 Rh2 S2 Rh1 142.61(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        27.66
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         0.645
_refine_diff_density_min         -0.569
_refine_diff_density_rms         0.145
_database_code_depnum_ccdc_archive 'CCDC 996721'
