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

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

data_sk301
_database_code_depnum_ccdc_archive 'CCDC 1404746'
_audit_update_record             
;
2015-06-03 deposited with the CCDC.
2015-08-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        2xHOBpin
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C19 H42 B O4 P2 Rh, C6 H13 B O3'
_chemical_formula_sum            'C25 H55 B2 O7 P2 Rh'
_chemical_formula_weight         654.16

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'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   10.9348(7)
_cell_length_b                   25.1626(17)
_cell_length_c                   12.1658(8)
_cell_angle_alpha                90
_cell_angle_beta                 93.209(2)
_cell_angle_gamma                90
_cell_volume                     3342.1(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    8094
_cell_measurement_theta_min      2.33
_cell_measurement_theta_max      25.41

_exptl_crystal_description       fragment
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.300
_exptl_crystal_F_000             1384
_exptl_transmission_factor_min   0.6352
_exptl_transmission_factor_max   0.7452
_exptl_crystal_size_max          0.460
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    0.643
_shelx_estimated_absorpt_T_min   0.756
_shelx_estimated_absorpt_T_max   0.927
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'Bruker APEX2'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            92665
_diffrn_reflns_av_unetI/netI     0.0143
_diffrn_reflns_av_R_equivalents  0.0401
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.331
_diffrn_reflns_theta_max         25.416
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6154
_reflns_number_gt                5917
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

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

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0316P)²+2.7471P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6154
_refine_ls_number_parameters     466
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0243
_refine_ls_R_factor_gt           0.0232
_refine_ls_wR_factor_ref         0.0606
_refine_ls_wR_factor_gt          0.0597
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.44939(2) 0.38339(2) 0.12556(2) 0.01178(5) Uani 1 1 d . . . . .
P1 P 0.61733(4) 0.41378(2) 0.23170(3) 0.01310(9) Uani 1 1 d . . . . .
P2 P 0.27449(4) 0.35344(2) 0.02749(3) 0.01491(9) Uani 1 1 d . . . . .
O1 O 0.41918(10) 0.33709(4) 0.26141(9) 0.0161(2) Uani 1 1 d . . . . .
O3 O 0.35226(15) 0.32411(6) 0.44330(11) 0.0342(3) Uani 1 1 d . . . . .
O4 O 0.50966(12) 0.44595(5) -0.06936(10) 0.0239(3) Uani 1 1 d . . . . .
O5 O 0.30174(11) 0.20979(5) 0.23676(11) 0.0230(3) Uani 1 1 d . . . . .
O6 O 0.45392(12) 0.14830(5) 0.26528(14) 0.0360(4) Uani 1 1 d . . . . .
O7 O 0.51154(11) 0.23945(5) 0.25656(10) 0.0215(3) Uani 1 1 d . . . . .
H7 H 0.4779 0.2692 0.2468 0.032 Uiso 1 1 calc R U . . .
B1 B 0.34568(17) 0.34828(8) 0.34114(16) 0.0185(4) Uani 1 1 d . . . . .
B2 B 0.42593(18) 0.20149(8) 0.25344(16) 0.0192(4) Uani 1 1 d . . . . .
C1 C 0.71534(16) 0.36018(7) 0.28675(14) 0.0201(4) Uani 1 1 d . . . . .
H1A H 0.7799 0.3753 0.3378 0.024 Uiso 1 1 calc R U . . .
H1B H 0.6658 0.3354 0.3291 0.024 Uiso 1 1 calc R U . . .
C2 C 0.7752(2) 0.32962(9) 0.19573(17) 0.0350(5) Uani 1 1 d . . . . .
H2A H 0.7115 0.3146 0.1450 0.052 Uiso 1 1 calc R U . . .
H2B H 0.8256 0.3008 0.2283 0.052 Uiso 1 1 calc R U . . .
H2C H 0.8269 0.3538 0.1554 0.052 Uiso 1 1 calc R U . . .
C3 C 0.72094(15) 0.46013(7) 0.16740(14) 0.0192(3) Uani 1 1 d . . . . .
H3A H 0.7481 0.4435 0.0991 0.023 Uiso 1 1 calc R U . . .
H3B H 0.6738 0.4924 0.1457 0.023 Uiso 1 1 calc R U . . .
C4 C 0.83479(17) 0.47731(8) 0.23705(16) 0.0266(4) Uani 1 1 d . . . . .
H4A H 0.8100 0.4933 0.3058 0.040 Uiso 1 1 calc R U . . .
H4B H 0.8809 0.5034 0.1961 0.040 Uiso 1 1 calc R U . . .
H4C H 0.8865 0.4462 0.2540 0.040 Uiso 1 1 calc R U . . .
C5 C 0.57234(15) 0.44796(7) 0.35611(13) 0.0180(3) Uani 1 1 d . . . . .
H5A H 0.5346 0.4220 0.4050 0.022 Uiso 1 1 calc R U . . .
H5B H 0.6465 0.4624 0.3959 0.022 Uiso 1 1 calc R U . . .
C6 C 0.48198(18) 0.49321(8) 0.33105(16) 0.0275(4) Uani 1 1 d . . . . .
H6A H 0.5198 0.5197 0.2848 0.041 Uiso 1 1 calc R U . . .
H6B H 0.4601 0.5098 0.4001 0.041 Uiso 1 1 calc R U . . .
H6C H 0.4080 0.4791 0.2922 0.041 Uiso 1 1 calc R U . . .
C7 C 0.17114(15) 0.31386(7) 0.10611(14) 0.0180(3) Uani 1 1 d . . . . .
H7A H 0.2186 0.2843 0.1411 0.022 Uiso 1 1 calc R U . . .
H7B H 0.1415 0.3363 0.1659 0.022 Uiso 1 1 calc R U . . .
C8 C 0.05966(16) 0.29032(8) 0.04186(15) 0.0244(4) Uani 1 1 d . . . . .
H8A H 0.0126 0.3189 0.0048 0.037 Uiso 1 1 calc R U . . .
H8B H 0.0079 0.2718 0.0928 0.037 Uiso 1 1 calc R U . . .
H8C H 0.0871 0.2651 -0.0131 0.037 Uiso 1 1 calc R U . . .
C9 C 0.3067(2) 0.31260(10) -0.09150(17) 0.0401(6) Uani 1 1 d . . . . .
H9A H 0.2286 0.3015 -0.1298 0.048 Uiso 1 1 calc R U . . .
H9B H 0.3529 0.3339 -0.1436 0.048 Uiso 1 1 calc R U . . .
C10 C 0.3805(2) 0.26366(12) -0.0576(3) 0.0687(10) Uani 1 1 d . . . . .
H10A H 0.4524 0.2743 -0.0110 0.103 Uiso 1 1 calc R U . . .
H10B H 0.4071 0.2455 -0.1234 0.103 Uiso 1 1 calc R U . . .
H10C H 0.3296 0.2396 -0.0163 0.103 Uiso 1 1 calc R U . . .
C11 C 0.18097(19) 0.40668(8) -0.0334(2) 0.0370(5) Uani 1 1 d . . . . .
H11A H 0.2287 0.4260 -0.0874 0.044 Uiso 1 1 calc R U . . .
H11B H 0.1082 0.3911 -0.0734 0.044 Uiso 1 1 calc R U . . .
C12 C 0.1395(2) 0.44533(10) 0.0515(3) 0.0605(8) Uani 1 1 d . . . . .
H12A H 0.0840 0.4273 0.0998 0.091 Uiso 1 1 calc R U . . .
H12B H 0.0967 0.4751 0.0144 0.091 Uiso 1 1 calc R U . . .
H12C H 0.2109 0.4587 0.0953 0.091 Uiso 1 1 calc R U . . .
O2A O 0.2598(7) 0.39438(19) 0.3326(6) 0.0155(10) Uani 0.511(3) 1 d . . P A 1
C13A C 0.1804(10) 0.3892(4) 0.4230(8) 0.0158(16) Uani 0.511(3) 1 d . . P A 1
C14A C 0.2599(4) 0.3565(2) 0.5094(4) 0.0187(10) Uani 0.511(3) 1 d . . P A 1
C15A C 0.1907(4) 0.31945(16) 0.5817(3) 0.0300(10) Uani 0.511(3) 1 d . . P A 1
H15A H 0.1349 0.3401 0.6253 0.045 Uiso 0.511(3) 1 calc R U P A 1
H15B H 0.2489 0.3002 0.6312 0.045 Uiso 0.511(3) 1 calc R U P A 1
H15C H 0.1435 0.2940 0.5355 0.045 Uiso 0.511(3) 1 calc R U P A 1
C16A C 0.3467(3) 0.39174(18) 0.5817(3) 0.0311(10) Uani 0.511(3) 1 d . . P A 1
H16A H 0.2990 0.4126 0.6321 0.047 Uiso 0.511(3) 1 calc R U P A 1
H16B H 0.3914 0.4157 0.5348 0.047 Uiso 0.511(3) 1 calc R U P A 1
H16C H 0.4051 0.3692 0.6244 0.047 Uiso 0.511(3) 1 calc R U P A 1
C17A C 0.0668(3) 0.35855(18) 0.3813(4) 0.0250(9) Uani 0.511(3) 1 d . . P A 1
H17A H 0.0300 0.3761 0.3155 0.037 Uiso 0.511(3) 1 calc R U P A 1
H17B H 0.0074 0.3577 0.4387 0.037 Uiso 0.511(3) 1 calc R U P A 1
H17C H 0.0899 0.3221 0.3628 0.037 Uiso 0.511(3) 1 calc R U P A 1
C18A C 0.1459(4) 0.44483(15) 0.4609(3) 0.0291(9) Uani 0.511(3) 1 d . . P A 1
H18A H 0.2205 0.4658 0.4762 0.044 Uiso 0.511(3) 1 calc R U P A 1
H18B H 0.1006 0.4421 0.5280 0.044 Uiso 0.511(3) 1 calc R U P A 1
H18C H 0.0945 0.4622 0.4030 0.044 Uiso 0.511(3) 1 calc R U P A 1
O2B O 0.2457(8) 0.3769(2) 0.3380(7) 0.0212(12) Uani 0.489(3) 1 d . . P A -2
C13B C 0.2005(10) 0.3793(5) 0.4487(8) 0.016(2) Uani 0.489(3) 1 d . . P A -2
C14B C 0.2571(4) 0.3288(2) 0.5035(4) 0.0201(10) Uani 0.489(3) 1 d . . P A -2
C15B C 0.2852(4) 0.33339(19) 0.6260(3) 0.0325(11) Uani 0.489(3) 1 d . . P A -2
H15D H 0.3230 0.3004 0.6537 0.049 Uiso 0.489(3) 1 calc R U P A -2
H15E H 0.2091 0.3397 0.6629 0.049 Uiso 0.489(3) 1 calc R U P A -2
H15F H 0.3417 0.3631 0.6410 0.049 Uiso 0.489(3) 1 calc R U P A -2
C16B C 0.1831(5) 0.27853(18) 0.4791(4) 0.0385(11) Uani 0.489(3) 1 d . . P A -2
H16D H 0.1604 0.2767 0.4001 0.058 Uiso 0.489(3) 1 calc R U P A -2
H16E H 0.1088 0.2791 0.5205 0.058 Uiso 0.489(3) 1 calc R U P A -2
H16F H 0.2324 0.2474 0.5008 0.058 Uiso 0.489(3) 1 calc R U P A -2
C17B C 0.0602(4) 0.3783(3) 0.4364(5) 0.0450(14) Uani 0.489(3) 1 d . . P A -2
H17D H 0.0303 0.4126 0.4075 0.067 Uiso 0.489(3) 1 calc R U P A -2
H17E H 0.0271 0.3719 0.5084 0.067 Uiso 0.489(3) 1 calc R U P A -2
H17F H 0.0336 0.3499 0.3854 0.067 Uiso 0.489(3) 1 calc R U P A -2
C18B C 0.2465(5) 0.43055(17) 0.5012(4) 0.0362(12) Uani 0.489(3) 1 d . . P A -2
H18D H 0.3362 0.4300 0.5086 0.054 Uiso 0.489(3) 1 calc R U P A -2
H18E H 0.2138 0.4342 0.5742 0.054 Uiso 0.489(3) 1 calc R U P A -2
H18F H 0.2194 0.4607 0.4549 0.054 Uiso 0.489(3) 1 calc R U P A -2
C18 C 0.48591(14) 0.42181(6) 0.00750(14) 0.0155(3) Uani 1 1 d . . . . .
C19 C 0.34076(17) 0.11886(7) 0.26148(17) 0.0238(4) Uani 1 1 d . . . . .
C20A C 0.2439(4) 0.15607(19) 0.2171(4) 0.0184(10) Uani 0.511(4) 1 d . . P B 1
C21A C 0.3339(4) 0.0767(2) 0.3395(5) 0.0457(14) Uani 0.511(4) 1 d . . P B 1
H21A H 0.3984 0.0507 0.3276 0.068 Uiso 0.511(4) 1 calc R U P B 1
H21B H 0.2536 0.0594 0.3302 0.068 Uiso 0.511(4) 1 calc R U P B 1
H21C H 0.3448 0.0911 0.4142 0.068 Uiso 0.511(4) 1 calc R U P B 1
C22A C 0.3419(6) 0.0996(2) 0.1416(5) 0.0592(18) Uani 0.511(4) 1 d . . P B 1
H22A H 0.4136 0.0769 0.1330 0.089 Uiso 0.511(4) 1 calc R U P B 1
H22B H 0.3457 0.1303 0.0924 0.089 Uiso 0.511(4) 1 calc R U P B 1
H22C H 0.2672 0.0793 0.1229 0.089 Uiso 0.511(4) 1 calc R U P B 1
C23A C 0.1238(4) 0.15520(17) 0.2746(4) 0.0268(9) Uani 0.511(4) 1 d . . P B 1
H23A H 0.1395 0.1639 0.3526 0.040 Uiso 0.511(4) 1 calc R U P B 1
H23B H 0.0872 0.1197 0.2678 0.040 Uiso 0.511(4) 1 calc R U P B 1
H23C H 0.0675 0.1814 0.2403 0.040 Uiso 0.511(4) 1 calc R U P B 1
C24A C 0.2187(3) 0.15139(15) 0.0933(3) 0.0254(9) Uani 0.511(4) 1 d . . P B 1
H24A H 0.1699 0.1819 0.0665 0.038 Uiso 0.511(4) 1 calc R U P B 1
H24B H 0.1735 0.1185 0.0764 0.038 Uiso 0.511(4) 1 calc R U P B 1
H24C H 0.2965 0.1508 0.0570 0.038 Uiso 0.511(4) 1 calc R U P B 1
C20B C 0.2391(4) 0.1648(2) 0.2682(6) 0.0251(11) Uani 0.489(4) 1 d . . P B -2
C21B C 0.3303(4) 0.1056(2) 0.3872(4) 0.0281(10) Uani 0.489(4) 1 d . . P B -2
H21D H 0.4015 0.0846 0.4137 0.042 Uiso 0.489(4) 1 calc R U P B -2
H21E H 0.2553 0.0852 0.3968 0.042 Uiso 0.489(4) 1 calc R U P B -2
H21F H 0.3276 0.1387 0.4294 0.042 Uiso 0.489(4) 1 calc R U P B -2
C22B C 0.3494(4) 0.06436(15) 0.2014(4) 0.0280(10) Uani 0.489(4) 1 d . . P B -2
H22D H 0.3657 0.0704 0.1240 0.042 Uiso 0.489(4) 1 calc R U P B -2
H22E H 0.2719 0.0451 0.2059 0.042 Uiso 0.489(4) 1 calc R U P B -2
H22F H 0.4161 0.0433 0.2367 0.042 Uiso 0.489(4) 1 calc R U P B -2
C23B C 0.1221(5) 0.1575(2) 0.1998(7) 0.0569(19) Uani 0.489(4) 1 d . . P B -2
H23D H 0.0721 0.1897 0.2036 0.085 Uiso 0.489(4) 1 calc R U P B -2
H23E H 0.0769 0.1272 0.2279 0.085 Uiso 0.489(4) 1 calc R U P B -2
H23F H 0.1406 0.1508 0.1232 0.085 Uiso 0.489(4) 1 calc R U P B -2
C24B C 0.2102(5) 0.1740(2) 0.3899(4) 0.0459(14) Uani 0.489(4) 1 d . . P B -2
H24D H 0.2868 0.1788 0.4345 0.069 Uiso 0.489(4) 1 calc R U P B -2
H24E H 0.1662 0.1431 0.4170 0.069 Uiso 0.489(4) 1 calc R U P B -2
H24F H 0.1592 0.2058 0.3953 0.069 Uiso 0.489(4) 1 calc R U P B -2


_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 C18 1.7948(17) . ?
Rh1 O1 2.0638(11) . ?
Rh1 P1 2.3150(4) . ?
Rh1 P2 2.3224(4) . ?
P1 C1 1.8264(17) . ?
P1 C3 1.8317(17) . ?
P1 C5 1.8318(17) . ?
P2 C7 1.8180(17) . ?
P2 C11 1.8176(19) . ?
P2 C9 1.826(2) . ?
O1 B1 1.324(2) . ?
O3 C14B 1.311(5) . ?
O3 B1 1.382(2) . ?
O3 C14A 1.556(5) . ?
O4 C18 1.157(2) . ?
O5 B2 1.378(2) . ?
O5 C20B 1.387(5) . ?
O5 C20A 1.506(5) . ?
O6 B2 1.379(2) . ?
O6 C19 1.441(2) . ?
O7 B2 1.337(2) . ?
O7 H7 0.8400 . ?
B1 O2B 1.308(9) . ?
B1 O2A 1.492(7) . ?
C1 C2 1.525(3) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.529(2) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.527(2) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.530(2) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.517(4) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.506(4) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
O2A C13A 1.445(14) . ?
C13A C18A 1.527(12) . ?
C13A C17A 1.526(13) . ?
C13A C14A 1.561(7) . ?
C14A C15A 1.514(6) . ?
C14A C16A 1.538(6) . ?
C15A H15A 0.9800 . ?
C15A H15B 0.9800 . ?
C15A H15C 0.9800 . ?
C16A H16A 0.9800 . ?
C16A H16B 0.9800 . ?
C16A H16C 0.9800 . ?
C17A H17A 0.9800 . ?
C17A H17B 0.9800 . ?
C17A H17C 0.9800 . ?
C18A H18A 0.9800 . ?
C18A H18B 0.9800 . ?
C18A H18C 0.9800 . ?
O2B C13B 1.461(13) . ?
C13B C18B 1.512(13) . ?
C13B C17B 1.533(12) . ?
C13B C14B 1.549(9) . ?
C14B C15B 1.509(6) . ?
C14B C16B 1.522(7) . ?
C15B H15D 0.9800 . ?
C15B H15E 0.9800 . ?
C15B H15F 0.9800 . ?
C16B H16D 0.9800 . ?
C16B H16E 0.9800 . ?
C16B H16F 0.9800 . ?
C17B H17D 0.9800 . ?
C17B H17E 0.9800 . ?
C17B H17F 0.9800 . ?
C18B H18D 0.9800 . ?
C18B H18E 0.9800 . ?
C18B H18F 0.9800 . ?
C19 C21A 1.428(5) . ?
C19 C20A 1.492(5) . ?
C19 C22A 1.538(6) . ?
C19 C22B 1.559(4) . ?
C19 C21B 1.576(5) . ?
C19 C20B 1.609(5) . ?
C20A C24A 1.520(6) . ?
C20A C23A 1.522(6) . ?
C20A C22A 2.030(8) . ?
C21A H21A 0.9800 . ?
C21A H21B 0.9800 . ?
C21A H21C 0.9800 . ?
C22A H22A 0.9800 . ?
C22A H22B 0.9800 . ?
C22A H22C 0.9800 . ?
C23A H23A 0.9800 . ?
C23A H23B 0.9800 . ?
C23A H23C 0.9800 . ?
C24A H24A 0.9800 . ?
C24A H24B 0.9800 . ?
C24A H24C 0.9800 . ?
C20B C23B 1.498(8) . ?
C20B C24B 1.549(8) . ?
C21B H21D 0.9800 . ?
C21B H21E 0.9800 . ?
C21B H21F 0.9800 . ?
C22B H22D 0.9800 . ?
C22B H22E 0.9800 . ?
C22B H22F 0.9800 . ?
C23B H23D 0.9800 . ?
C23B H23E 0.9800 . ?
C23B H23F 0.9800 . ?
C24B H24D 0.9800 . ?
C24B H24E 0.9800 . ?
C24B H24F 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C18 Rh1 O1 176.13(6) . . ?
C18 Rh1 P1 93.63(5) . . ?
O1 Rh1 P1 84.11(3) . . ?
C18 Rh1 P2 88.70(5) . . ?
O1 Rh1 P2 93.68(3) . . ?
P1 Rh1 P2 176.838(15) . . ?
C1 P1 C3 105.22(8) . . ?
C1 P1 C5 102.89(8) . . ?
C3 P1 C5 104.78(8) . . ?
C1 P1 Rh1 113.04(6) . . ?
C3 P1 Rh1 117.55(6) . . ?
C5 P1 Rh1 112.00(6) . . ?
C7 P2 C11 105.43(9) . . ?
C7 P2 C9 105.19(9) . . ?
C11 P2 C9 102.77(12) . . ?
C7 P2 Rh1 115.20(6) . . ?
C11 P2 Rh1 113.49(7) . . ?
C9 P2 Rh1 113.58(7) . . ?
B1 O1 Rh1 126.69(11) . . ?
C14B O3 B1 117.4(3) . . ?
B1 O3 C14A 103.4(2) . . ?
B2 O5 C20B 109.5(2) . . ?
B2 O5 C20A 106.8(2) . . ?
B2 O6 C19 108.09(14) . . ?
B2 O7 H7 109.5 . . ?
O2B B1 O1 129.5(4) . . ?
O2B B1 O3 105.7(4) . . ?
O1 B1 O3 124.20(17) . . ?
O1 B1 O2A 121.3(3) . . ?
O3 B1 O2A 113.9(3) . . ?
O7 B2 O5 125.37(17) . . ?
O7 B2 O6 122.67(16) . . ?
O5 B2 O6 111.96(16) . . ?
C2 C1 P1 111.89(13) . . ?
C2 C1 H1A 109.2 . . ?
P1 C1 H1A 109.2 . . ?
C2 C1 H1B 109.2 . . ?
P1 C1 H1B 109.2 . . ?
H1A C1 H1B 107.9 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C3 P1 116.58(12) . . ?
C4 C3 H3A 108.1 . . ?
P1 C3 H3A 108.1 . . ?
C4 C3 H3B 108.1 . . ?
P1 C3 H3B 108.1 . . ?
H3A C3 H3B 107.3 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 P1 112.70(12) . . ?
C6 C5 H5A 109.1 . . ?
P1 C5 H5A 109.1 . . ?
C6 C5 H5B 109.1 . . ?
P1 C5 H5B 109.1 . . ?
H5A C5 H5B 107.8 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 P2 116.38(12) . . ?
C8 C7 H7A 108.2 . . ?
P2 C7 H7A 108.2 . . ?
C8 C7 H7B 108.2 . . ?
P2 C7 H7B 108.2 . . ?
H7A C7 H7B 107.3 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 P2 111.39(17) . . ?
C10 C9 H9A 109.4 . . ?
P2 C9 H9A 109.4 . . ?
C10 C9 H9B 109.4 . . ?
P2 C9 H9B 109.4 . . ?
H9A C9 H9B 108.0 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 P2 112.37(16) . . ?
C12 C11 H11A 109.1 . . ?
P2 C11 H11A 109.1 . . ?
C12 C11 H11B 109.1 . . ?
P2 C11 H11B 109.1 . . ?
H11A C11 H11B 107.9 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C13A O2A B1 106.2(5) . . ?
O2A C13A C18A 108.5(7) . . ?
O2A C13A C17A 107.7(8) . . ?
C18A C13A C17A 110.7(7) . . ?
O2A C13A C14A 103.0(7) . . ?
C18A C13A C14A 114.7(8) . . ?
C17A C13A C14A 111.7(7) . . ?
C15A C14A C16A 109.6(4) . . ?
C15A C14A O3 109.7(4) . . ?
C16A C14A O3 101.5(3) . . ?
C15A C14A C13A 116.0(5) . . ?
C16A C14A C13A 112.6(6) . . ?
O3 C14A C13A 106.3(5) . . ?
C14A C15A H15A 109.5 . . ?
C14A C15A H15B 109.5 . . ?
H15A C15A H15B 109.5 . . ?
C14A C15A H15C 109.5 . . ?
H15A C15A H15C 109.5 . . ?
H15B C15A H15C 109.5 . . ?
C14A C16A H16A 109.5 . . ?
C14A C16A H16B 109.5 . . ?
H16A C16A H16B 109.5 . . ?
C14A C16A H16C 109.5 . . ?
H16A C16A H16C 109.5 . . ?
H16B C16A H16C 109.5 . . ?
C13A C17A H17A 109.5 . . ?
C13A C17A H17B 109.5 . . ?
H17A C17A H17B 109.5 . . ?
C13A C17A H17C 109.5 . . ?
H17A C17A H17C 109.5 . . ?
H17B C17A H17C 109.5 . . ?
C13A C18A H18A 109.5 . . ?
C13A C18A H18B 109.5 . . ?
H18A C18A H18B 109.5 . . ?
C13A C18A H18C 109.5 . . ?
H18A C18A H18C 109.5 . . ?
H18B C18A H18C 109.5 . . ?
B1 O2B C13B 108.7(6) . . ?
O2B C13B C18B 107.6(8) . . ?
O2B C13B C17B 107.3(7) . . ?
C18B C13B C17B 111.2(8) . . ?
O2B C13B C14B 102.5(7) . . ?
C18B C13B C14B 113.7(7) . . ?
C17B C13B C14B 113.7(8) . . ?
O3 C14B C15B 115.8(4) . . ?
O3 C14B C16B 104.2(4) . . ?
C15B C14B C16B 109.5(4) . . ?
O3 C14B C13B 98.2(5) . . ?
C15B C14B C13B 114.6(6) . . ?
C16B C14B C13B 113.8(6) . . ?
C14B C15B H15D 109.5 . . ?
C14B C15B H15E 109.5 . . ?
H15D C15B H15E 109.5 . . ?
C14B C15B H15F 109.5 . . ?
H15D C15B H15F 109.5 . . ?
H15E C15B H15F 109.5 . . ?
C14B C16B H16D 109.5 . . ?
C14B C16B H16E 109.5 . . ?
H16D C16B H16E 109.5 . . ?
C14B C16B H16F 109.5 . . ?
H16D C16B H16F 109.5 . . ?
H16E C16B H16F 109.5 . . ?
C13B C17B H17D 109.5 . . ?
C13B C17B H17E 109.5 . . ?
H17D C17B H17E 109.5 . . ?
C13B C17B H17F 109.5 . . ?
H17D C17B H17F 109.5 . . ?
H17E C17B H17F 109.5 . . ?
C13B C18B H18D 109.5 . . ?
C13B C18B H18E 109.5 . . ?
H18D C18B H18E 109.5 . . ?
C13B C18B H18F 109.5 . . ?
H18D C18B H18F 109.5 . . ?
H18E C18B H18F 109.5 . . ?
O4 C18 Rh1 179.09(15) . . ?
C21A C19 O6 116.0(3) . . ?
C21A C19 C20A 130.1(3) . . ?
O6 C19 C20A 106.3(2) . . ?
C21A C19 C22A 113.6(4) . . ?
O6 C19 C22A 98.0(2) . . ?
C20A C19 C22A 84.1(4) . . ?
O6 C19 C22B 113.1(2) . . ?
O6 C19 C21B 100.8(2) . . ?
C22B C19 C21B 106.1(3) . . ?
O6 C19 C20B 102.9(2) . . ?
C22B C19 C20B 135.7(3) . . ?
C21B C19 C20B 90.9(3) . . ?
C19 C20A O5 102.8(3) . . ?
C19 C20A C24A 113.3(4) . . ?
O5 C20A C24A 106.2(3) . . ?
C19 C20A C23A 116.0(4) . . ?
O5 C20A C23A 107.8(3) . . ?
C24A C20A C23A 110.0(4) . . ?
C19 C20A C22A 48.9(3) . . ?
O5 C20A C22A 118.2(3) . . ?
C24A C20A C22A 64.5(3) . . ?
C23A C20A C22A 133.5(4) . . ?
C19 C21A H21A 109.5 . . ?
C19 C21A H21B 109.5 . . ?
H21A C21A H21B 109.5 . . ?
C19 C21A H21C 109.5 . . ?
H21A C21A H21C 109.5 . . ?
H21B C21A H21C 109.5 . . ?
C19 C22A C20A 47.0(2) . . ?
C19 C22A H22A 109.5 . . ?
C20A C22A H22A 154.3 . . ?
C19 C22A H22B 109.5 . . ?
C20A C22A H22B 76.4 . . ?
H22A C22A H22B 109.5 . . ?
C19 C22A H22C 109.5 . . ?
C20A C22A H22C 90.9 . . ?
H22A C22A H22C 109.5 . . ?
H22B C22A H22C 109.5 . . ?
C20A C23A H23A 109.5 . . ?
C20A C23A H23B 109.5 . . ?
H23A C23A H23B 109.5 . . ?
C20A C23A H23C 109.5 . . ?
H23A C23A H23C 109.5 . . ?
H23B C23A H23C 109.5 . . ?
C20A C24A H24A 109.5 . . ?
C20A C24A H24B 109.5 . . ?
H24A C24A H24B 109.5 . . ?
C20A C24A H24C 109.5 . . ?
H24A C24A H24C 109.5 . . ?
H24B C24A H24C 109.5 . . ?
O5 C20B C23B 111.5(4) . . ?
O5 C20B C24B 105.8(4) . . ?
C23B C20B C24B 109.6(5) . . ?
O5 C20B C19 102.7(3) . . ?
C23B C20B C19 117.1(5) . . ?
C24B C20B C19 109.5(4) . . ?
C19 C21B H21D 109.5 . . ?
C19 C21B H21E 109.5 . . ?
H21D C21B H21E 109.5 . . ?
C19 C21B H21F 109.5 . . ?
H21D C21B H21F 109.5 . . ?
H21E C21B H21F 109.5 . . ?
C19 C22B H22D 109.5 . . ?
C19 C22B H22E 109.5 . . ?
H22D C22B H22E 109.5 . . ?
C19 C22B H22F 109.5 . . ?
H22D C22B H22F 109.5 . . ?
H22E C22B H22F 109.5 . . ?
C20B C23B H23D 109.5 . . ?
C20B C23B H23E 109.5 . . ?
H23D C23B H23E 109.5 . . ?
C20B C23B H23F 109.5 . . ?
H23D C23B H23F 109.5 . . ?
H23E C23B H23F 109.5 . . ?
C20B C24B H24D 109.5 . . ?
C20B C24B H24E 109.5 . . ?
H24D C24B H24E 109.5 . . ?
C20B C24B H24F 109.5 . . ?
H24D C24B H24F 109.5 . . ?
H24E C24B H24F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 O1 B1 O2B 28.5(4) . . . . ?
Rh1 O1 B1 O3 -161.85(13) . . . . ?
Rh1 O1 B1 O2A 9.0(4) . . . . ?
C14B O3 B1 O2B 8.5(4) . . . . ?
C14A O3 B1 O2B -15.8(4) . . . . ?
C14B O3 B1 O1 -163.2(3) . . . . ?
C14A O3 B1 O1 172.5(2) . . . . ?
C14B O3 B1 O2A 25.3(4) . . . . ?
C14A O3 B1 O2A 1.1(4) . . . . ?
C20B O5 B2 O7 -163.7(3) . . . . ?
C20A O5 B2 O7 168.9(3) . . . . ?
C20B O5 B2 O6 17.2(4) . . . . ?
C20A O5 B2 O6 -10.1(3) . . . . ?
C19 O6 B2 O7 178.11(17) . . . . ?
C19 O6 B2 O5 -2.8(2) . . . . ?
C3 P1 C1 C2 -64.35(16) . . . . ?
C5 P1 C1 C2 -173.82(14) . . . . ?
Rh1 P1 C1 C2 65.18(15) . . . . ?
C1 P1 C3 C4 -49.99(16) . . . . ?
C5 P1 C3 C4 58.12(15) . . . . ?
Rh1 P1 C3 C4 -176.81(12) . . . . ?
C1 P1 C5 C6 -176.44(13) . . . . ?
C3 P1 C5 C6 73.75(14) . . . . ?
Rh1 P1 C5 C6 -54.74(14) . . . . ?
C11 P2 C7 C8 58.20(16) . . . . ?
C9 P2 C7 C8 -50.00(16) . . . . ?
Rh1 P2 C7 C8 -175.87(11) . . . . ?
C7 P2 C9 C10 -67.30(17) . . . . ?
C11 P2 C9 C10 -177.43(16) . . . . ?
Rh1 P2 C9 C10 59.56(17) . . . . ?
C7 P2 C11 C12 68.42(18) . . . . ?
C9 P2 C11 C12 178.37(17) . . . . ?
Rh1 P2 C11 C12 -58.55(18) . . . . ?
O2B B1 O2A C13A 47.4(19) . . . . ?
O1 B1 O2A C13A 170.3(5) . . . . ?
O3 B1 O2A C13A -18.0(7) . . . . ?
B1 O2A C13A C18A 147.4(5) . . . . ?
B1 O2A C13A C17A -92.6(6) . . . . ?
B1 O2A C13A C14A 25.5(9) . . . . ?
C14B O3 C14A C15A 15.6(5) . . . . ?
B1 O3 C14A C15A 141.1(3) . . . . ?
C14B O3 C14A C16A 131.5(8) . . . . ?
B1 O3 C14A C16A -103.0(3) . . . . ?
C14B O3 C14A C13A -110.6(10) . . . . ?
B1 O3 C14A C13A 14.9(6) . . . . ?
O2A C13A C14A C15A -147.7(6) . . . . ?
C18A C13A C14A C15A 94.6(8) . . . . ?
C17A C13A C14A C15A -32.4(10) . . . . ?
O2A C13A C14A C16A 84.9(8) . . . . ?
C18A C13A C14A C16A -32.8(9) . . . . ?
C17A C13A C14A C16A -159.7(6) . . . . ?
O2A C13A C14A O3 -25.4(8) . . . . ?
C18A C13A C14A O3 -143.1(6) . . . . ?
C17A C13A C14A O3 89.9(8) . . . . ?
O1 B1 O2B C13B -177.5(6) . . . . ?
O3 B1 O2B C13B 11.3(7) . . . . ?
O2A B1 O2B C13B -109(2) . . . . ?
B1 O2B C13B C18B 96.5(6) . . . . ?
B1 O2B C13B C17B -143.6(6) . . . . ?
B1 O2B C13B C14B -23.6(9) . . . . ?
B1 O3 C14B C15B -144.6(4) . . . . ?
C14A O3 C14B C15B -81.5(8) . . . . ?
B1 O3 C14B C16B 95.1(4) . . . . ?
C14A O3 C14B C16B 158.2(9) . . . . ?
B1 O3 C14B C13B -22.1(6) . . . . ?
C14A O3 C14B C13B 41.0(6) . . . . ?
O2B C13B C14B O3 25.9(8) . . . . ?
C18B C13B C14B O3 -90.0(7) . . . . ?
C17B C13B C14B O3 141.3(7) . . . . ?
O2B C13B C14B C15B 149.2(6) . . . . ?
C18B C13B C14B C15B 33.4(9) . . . . ?
C17B C13B C14B C15B -95.3(8) . . . . ?
O2B C13B C14B C16B -83.7(8) . . . . ?
C18B C13B C14B C16B 160.5(6) . . . . ?
C17B C13B C14B C16B 31.8(9) . . . . ?
B2 O6 C19 C21A -138.0(4) . . . . ?
B2 O6 C19 C20A 14.7(3) . . . . ?
B2 O6 C19 C22A 100.8(3) . . . . ?
B2 O6 C19 C22B 143.4(2) . . . . ?
B2 O6 C19 C21B -103.7(3) . . . . ?
B2 O6 C19 C20B -10.3(3) . . . . ?
C21A C19 C20A O5 127.6(4) . . . . ?
O6 C19 C20A O5 -19.7(3) . . . . ?
C22A C19 C20A O5 -116.4(3) . . . . ?
C22B C19 C20A O5 -146.6(3) . . . . ?
C21B C19 C20A O5 90.0(3) . . . . ?
C20B C19 C20A O5 65.7(7) . . . . ?
C21A C19 C20A C24A -118.3(5) . . . . ?
O6 C19 C20A C24A 94.4(3) . . . . ?
C22A C19 C20A C24A -2.2(4) . . . . ?
C22B C19 C20A C24A -32.4(4) . . . . ?
C21B C19 C20A C24A -155.8(3) . . . . ?
C20B C19 C20A C24A 179.8(10) . . . . ?
C21A C19 C20A C23A 10.3(7) . . . . ?
O6 C19 C20A C23A -137.0(3) . . . . ?
C22A C19 C20A C23A 126.3(4) . . . . ?
C22B C19 C20A C23A 96.1(4) . . . . ?
C21B C19 C20A C23A -27.3(5) . . . . ?
C20B C19 C20A C23A -51.6(7) . . . . ?
C21A C19 C20A C22A -116.0(5) . . . . ?
O6 C19 C20A C22A 96.7(2) . . . . ?
C22B C19 C20A C22A -30.2(3) . . . . ?
C21B C19 C20A C22A -153.6(3) . . . . ?
C20B C19 C20A C22A -177.9(8) . . . . ?
B2 O5 C20A C19 18.2(3) . . . . ?
C20B O5 C20A C19 -81.9(8) . . . . ?
B2 O5 C20A C24A -101.0(3) . . . . ?
C20B O5 C20A C24A 158.9(10) . . . . ?
B2 O5 C20A C23A 141.2(3) . . . . ?
C20B O5 C20A C23A 41.1(6) . . . . ?
B2 O5 C20A C22A -31.8(4) . . . . ?
C20B O5 C20A C22A -131.8(9) . . . . ?
C21A C19 C22A C20A 131.4(3) . . . . ?
O6 C19 C22A C20A -105.6(2) . . . . ?
C22B C19 C22A C20A 139.0(4) . . . . ?
C21B C19 C22A C20A 127.2(6) . . . . ?
C20B C19 C22A C20A 0.9(3) . . . . ?
B2 O5 C20B C23B -148.2(5) . . . . ?
C20A O5 C20B C23B -59.6(8) . . . . ?
B2 O5 C20B C24B 92.8(4) . . . . ?
C20A O5 C20B C24B -178.6(10) . . . . ?
B2 O5 C20B C19 -22.1(4) . . . . ?
C20A O5 C20B C19 66.6(7) . . . . ?
C21A C19 C20B O5 147.3(4) . . . . ?
O6 C19 C20B O5 19.6(4) . . . . ?
C20A C19 C20B O5 -81.4(8) . . . . ?
C22A C19 C20B O5 -83.5(4) . . . . ?
C22B C19 C20B O5 -124.7(4) . . . . ?
C21B C19 C20B O5 120.9(4) . . . . ?
C21A C19 C20B C23B -90.2(7) . . . . ?
O6 C19 C20B C23B 142.1(5) . . . . ?
C20A C19 C20B C23B 41.1(7) . . . . ?
C22A C19 C20B C23B 38.9(6) . . . . ?
C22B C19 C20B C23B -2.2(8) . . . . ?
C21B C19 C20B C23B -116.6(5) . . . . ?
C21A C19 C20B C24B 35.2(5) . . . . ?
O6 C19 C20B C24B -92.5(3) . . . . ?
C20A C19 C20B C24B 166.6(10) . . . . ?
C22A C19 C20B C24B 164.4(4) . . . . ?
C22B C19 C20B C24B 123.2(4) . . . . ?
C21B C19 C20B C24B 8.8(4) . . . . ?

_refine_diff_density_max         0.475
_refine_diff_density_min         -0.543
_refine_diff_density_rms         0.060

_shelxl_version_number           2013-4



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

data_sk546
_database_code_depnum_ccdc_archive 'CCDC 1404747'
_audit_update_record             
;
2015-06-03 deposited with the CCDC.
2015-08-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H57 B O3 P3 Rh'
_chemical_formula_sum            'C24 H57 B O3 P3 Rh'
_chemical_formula_weight         600.32

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'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   10.8214(8)
_cell_length_b                   13.3028(6)
_cell_length_c                   11.7681(9)
_cell_angle_alpha                90
_cell_angle_beta                 113.017(3)
_cell_angle_gamma                90
_cell_volume                     1559.21(18)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9971
_cell_measurement_theta_min      2.42
_cell_measurement_theta_max      25.05

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.279
_exptl_crystal_F_000             640
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    0.723
_shelx_estimated_absorpt_T_min   0.823
_shelx_estimated_absorpt_T_max   0.931
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6854
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   'Bruker APEX2'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            22344
_diffrn_reflns_av_unetI/netI     0.0504
_diffrn_reflns_av_R_equivalents  0.0860
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.425
_diffrn_reflns_theta_max         25.105
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             5522
_reflns_number_gt                5513
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.911
_reflns_Friedel_fraction_max     0.995
_reflns_Friedel_fraction_full    1.000

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

_computing_data_collection       'Bruker D8 VENTURE'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0301P)²+0.2207P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 2622 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   -0.004(10)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         5522
_refine_ls_number_parameters     302
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0225
_refine_ls_R_factor_gt           0.0224
_refine_ls_wR_factor_ref         0.0611
_refine_ls_wR_factor_gt          0.0611
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.75742(2) 0.50837(2) 0.14280(2) 0.00889(8) Uani 1 1 d . . . . .
P1 P 0.54761(7) 0.46777(6) 0.13830(7) 0.01061(16) Uani 1 1 d . . . . .
P2 P 0.87398(7) 0.40695(6) 0.29411(6) 0.01116(16) Uani 1 1 d . . . . .
P3 P 0.92399(7) 0.60847(6) 0.12629(7) 0.01051(16) Uani 1 1 d . . . . .
O1 O 0.6368(2) 0.59337(17) -0.01215(19) 0.0120(4) Uani 1 1 d . . . . .
O2 O 0.4928(2) 0.63116(17) -0.22095(19) 0.0165(5) Uani 1 1 d . . . . .
O3 O 0.6367(2) 0.49679(19) -0.18840(18) 0.0161(4) Uani 1 1 d . . . . .
C13 C 0.9434(3) 0.5929(3) -0.0207(3) 0.0170(7) Uani 1 1 d . . . . .
H13A H 0.8564 0.6073 -0.0893 0.020 Uiso 1 1 calc R U . . .
H13B H 1.0094 0.6427 -0.0250 0.020 Uiso 1 1 calc R U . . .
C15 C 1.1008(3) 0.6214(3) 0.2359(3) 0.0164(6) Uani 1 1 d . . . . .
H15A H 1.1021 0.6282 0.3202 0.020 Uiso 1 1 calc R U . . .
H15B H 1.1487 0.5584 0.2340 0.020 Uiso 1 1 calc R U . . .
C16 C 1.1791(3) 0.7094(3) 0.2132(3) 0.0229(7) Uani 1 1 d . . . . .
H16A H 1.1770 0.7049 0.1294 0.034 Uiso 1 1 calc R U . . .
H16B H 1.2725 0.7068 0.2731 0.034 Uiso 1 1 calc R U . . .
H16C H 1.1382 0.7729 0.2228 0.034 Uiso 1 1 calc R U . . .
C7 C 1.0547(3) 0.3894(2) 0.3277(3) 0.0152(6) Uani 1 1 d . . . . .
H7A H 1.0639 0.3767 0.2485 0.018 Uiso 1 1 calc R U . . .
H7B H 1.1012 0.4535 0.3609 0.018 Uiso 1 1 calc R U . . .
C9 C 0.8180(3) 0.2749(2) 0.2745(3) 0.0180(7) Uani 1 1 d . . . . .
H9A H 0.8735 0.2365 0.3491 0.022 Uiso 1 1 calc R U . . .
H9B H 0.7238 0.2720 0.2671 0.022 Uiso 1 1 calc R U . . .
C17 C 0.8663(3) 0.7400(2) 0.1156(3) 0.0153(6) Uani 1 1 d . . . . .
H17A H 0.9212 0.7822 0.0838 0.018 Uiso 1 1 calc R U . . .
H17B H 0.7719 0.7439 0.0556 0.018 Uiso 1 1 calc R U . . .
C2 C 0.4773(3) 0.3305(3) -0.0563(3) 0.0204(7) Uani 1 1 d . . . . .
H2A H 0.5664 0.3429 -0.0566 0.031 Uiso 1 1 calc R U . . .
H2B H 0.4145 0.3132 -0.1400 0.031 Uiso 1 1 calc R U . . .
H2C H 0.4824 0.2747 -0.0002 0.031 Uiso 1 1 calc R U . . .
C1 C 0.4279(3) 0.4254(3) -0.0129(3) 0.0158(6) Uani 1 1 d . . . . .
H1A H 0.3403 0.4114 -0.0078 0.019 Uiso 1 1 calc R U . . .
H1B H 0.4143 0.4798 -0.0741 0.019 Uiso 1 1 calc R U . . .
C8 C 1.1290(3) 0.3055(3) 0.4175(3) 0.0232(7) Uani 1 1 d . . . . .
H8A H 1.1171 0.3142 0.4953 0.035 Uiso 1 1 calc R U . . .
H8B H 1.2248 0.3085 0.4333 0.035 Uiso 1 1 calc R U . . .
H8C H 1.0926 0.2402 0.3813 0.035 Uiso 1 1 calc R U . . .
C18 C 0.8757(4) 0.7822(3) 0.2393(3) 0.0237(7) Uani 1 1 d . . . . .
H18A H 0.8219 0.7407 0.2715 0.036 Uiso 1 1 calc R U . . .
H18B H 0.8418 0.8514 0.2279 0.036 Uiso 1 1 calc R U . . .
H18C H 0.9696 0.7817 0.2979 0.036 Uiso 1 1 calc R U . . .
C23 C 0.3347(3) 0.5129(4) -0.3511(3) 0.0271(7) Uani 1 1 d . . . . .
H23A H 0.3631 0.4594 -0.2889 0.041 Uiso 1 1 calc R U . . .
H23B H 0.2989 0.4830 -0.4338 0.041 Uiso 1 1 calc R U . . .
H23C H 0.2649 0.5536 -0.3398 0.041 Uiso 1 1 calc R U . . .
C20 C 0.5825(3) 0.5170(3) -0.3198(3) 0.0169(6) Uani 1 1 d . . . . .
C24 C 0.4132(4) 0.6548(3) -0.4423(3) 0.0241(7) Uani 1 1 d . . . . .
H24A H 0.3325 0.6907 -0.4464 0.036 Uiso 1 1 calc R U . . .
H24B H 0.3943 0.6193 -0.5203 0.036 Uiso 1 1 calc R U . . .
H24C H 0.4862 0.7029 -0.4280 0.036 Uiso 1 1 calc R U . . .
C6 C 0.3661(3) 0.3900(3) 0.2421(3) 0.0224(7) Uani 1 1 d . . . . .
H6A H 0.3543 0.4561 0.2732 0.034 Uiso 1 1 calc R U . . .
H6B H 0.3538 0.3374 0.2950 0.034 Uiso 1 1 calc R U . . .
H6C H 0.2996 0.3814 0.1575 0.034 Uiso 1 1 calc R U . . .
C4 C 0.5434(4) 0.6317(3) 0.2846(3) 0.0214(8) Uani 1 1 d . . . . .
H4A H 0.5332 0.5862 0.3460 0.032 Uiso 1 1 calc R U . . .
H4B H 0.5034 0.6970 0.2885 0.032 Uiso 1 1 calc R U . . .
H4C H 0.6390 0.6405 0.3021 0.032 Uiso 1 1 calc R U . . .
C3 C 0.4733(3) 0.5873(2) 0.1570(3) 0.0146(6) Uani 1 1 d . . . . .
H3A H 0.4778 0.6358 0.0950 0.018 Uiso 1 1 calc R U . . .
H3B H 0.3774 0.5764 0.1411 0.018 Uiso 1 1 calc R U . . .
C10 C 0.8275(4) 0.2252(3) 0.1620(4) 0.0300(8) Uani 1 1 d . . . . .
H10A H 0.7793 0.2661 0.0886 0.045 Uiso 1 1 calc R U . . .
H10B H 0.7872 0.1581 0.1511 0.045 Uiso 1 1 calc R U . . .
H10C H 0.9220 0.2195 0.1737 0.045 Uiso 1 1 calc R U . . .
C5 C 0.5084(3) 0.3823(3) 0.2428(3) 0.0157(7) Uani 1 1 d . . . . .
H5A H 0.5222 0.3124 0.2213 0.019 Uiso 1 1 calc R U . . .
H5B H 0.5738 0.3949 0.3280 0.019 Uiso 1 1 calc R U . . .
C21 C 0.5573(4) 0.4185(3) -0.3897(3) 0.0303(9) Uani 1 1 d . . . . .
H21A H 0.6432 0.3852 -0.3740 0.045 Uiso 1 1 calc R U . . .
H21B H 0.5110 0.4316 -0.4783 0.045 Uiso 1 1 calc R U . . .
H21C H 0.5014 0.3750 -0.3620 0.045 Uiso 1 1 calc R U . . .
C12 C 0.9391(4) 0.5367(3) 0.4986(3) 0.0252(8) Uani 1 1 d . . . . .
H12A H 1.0322 0.5395 0.5055 0.038 Uiso 1 1 calc R U . . .
H12B H 0.9367 0.5479 0.5801 0.038 Uiso 1 1 calc R U . . .
H12C H 0.8864 0.5889 0.4414 0.038 Uiso 1 1 calc R U . . .
C11 C 0.8797(3) 0.4335(3) 0.4501(3) 0.0179(7) Uani 1 1 d . . . . .
H11A H 0.7875 0.4298 0.4481 0.021 Uiso 1 1 calc R U . . .
H11B H 0.9341 0.3811 0.5077 0.021 Uiso 1 1 calc R U . . .
C22 C 0.6872(4) 0.5787(3) -0.3460(3) 0.0284(8) Uani 1 1 d . . . . .
H22A H 0.6983 0.6440 -0.3046 0.043 Uiso 1 1 calc R U . . .
H22B H 0.6575 0.5890 -0.4352 0.043 Uiso 1 1 calc R U . . .
H22C H 0.7731 0.5428 -0.3149 0.043 Uiso 1 1 calc R U . . .
C14 C 0.9894(4) 0.4881(3) -0.0384(3) 0.0300(9) Uani 1 1 d . . . . .
H14A H 1.0782 0.4748 0.0262 0.045 Uiso 1 1 calc R U . . .
H14B H 0.9946 0.4839 -0.1196 0.045 Uiso 1 1 calc R U . . .
H14C H 0.9252 0.4383 -0.0333 0.045 Uiso 1 1 calc R U . . .
C19 C 0.4543(3) 0.5791(2) -0.3369(3) 0.0163(6) Uani 1 1 d . . . . .
B1 B 0.5938(3) 0.5740(3) -0.1299(3) 0.0128(7) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 O1 2.109(2) . ?
Rh1 P2 2.1968(8) . ?
Rh1 P3 2.3095(7) . ?
Rh1 P1 2.3141(8) . ?
P1 C1 1.832(3) . ?
P1 C3 1.833(3) . ?
P1 C5 1.842(3) . ?
P2 C9 1.843(3) . ?
P2 C11 1.847(3) . ?
P2 C7 1.852(3) . ?
P3 C13 1.834(3) . ?
P3 C17 1.846(3) . ?
P3 C15 1.850(3) . ?
O1 B1 1.304(4) . ?
O2 B1 1.416(4) . ?
O2 C19 1.439(4) . ?
O3 B1 1.411(4) . ?
O3 C20 1.448(3) . ?
C13 C14 1.521(5) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C15 C16 1.529(4) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C7 C8 1.531(4) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C9 C10 1.518(5) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C17 C18 1.526(5) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C2 C1 1.535(5) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C23 C19 1.521(5) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C20 C21 1.514(5) . ?
C20 C22 1.525(5) . ?
C20 C19 1.558(4) . ?
C24 C19 1.522(5) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C6 C5 1.539(4) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C4 C3 1.513(5) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C12 C11 1.529(5) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Rh1 P2 174.53(6) . . ?
O1 Rh1 P3 81.82(6) . . ?
P2 Rh1 P3 101.69(3) . . ?
O1 Rh1 P1 80.52(6) . . ?
P2 Rh1 P1 97.04(3) . . ?
P3 Rh1 P1 157.47(3) . . ?
C1 P1 C3 101.90(15) . . ?
C1 P1 C5 101.44(15) . . ?
C3 P1 C5 103.21(15) . . ?
C1 P1 Rh1 114.13(10) . . ?
C3 P1 Rh1 105.51(10) . . ?
C5 P1 Rh1 127.52(11) . . ?
C9 P2 C11 100.86(16) . . ?
C9 P2 C7 100.04(15) . . ?
C11 P2 C7 100.95(14) . . ?
C9 P2 Rh1 115.31(11) . . ?
C11 P2 Rh1 118.27(11) . . ?
C7 P2 Rh1 118.31(10) . . ?
C13 P3 C17 101.71(15) . . ?
C13 P3 C15 101.53(15) . . ?
C17 P3 C15 100.91(15) . . ?
C13 P3 Rh1 113.27(11) . . ?
C17 P3 Rh1 107.35(10) . . ?
C15 P3 Rh1 128.54(11) . . ?
B1 O1 Rh1 131.0(2) . . ?
B1 O2 C19 108.1(2) . . ?
B1 O3 C20 108.2(3) . . ?
C14 C13 P3 113.4(2) . . ?
C14 C13 H13A 108.9 . . ?
P3 C13 H13A 108.9 . . ?
C14 C13 H13B 108.9 . . ?
P3 C13 H13B 108.9 . . ?
H13A C13 H13B 107.7 . . ?
C16 C15 P3 116.2(2) . . ?
C16 C15 H15A 108.2 . . ?
P3 C15 H15A 108.2 . . ?
C16 C15 H15B 108.2 . . ?
P3 C15 H15B 108.2 . . ?
H15A C15 H15B 107.4 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C8 C7 P2 117.7(2) . . ?
C8 C7 H7A 107.9 . . ?
P2 C7 H7A 107.9 . . ?
C8 C7 H7B 107.9 . . ?
P2 C7 H7B 107.9 . . ?
H7A C7 H7B 107.2 . . ?
C10 C9 P2 113.2(2) . . ?
C10 C9 H9A 108.9 . . ?
P2 C9 H9A 108.9 . . ?
C10 C9 H9B 108.9 . . ?
P2 C9 H9B 108.9 . . ?
H9A C9 H9B 107.8 . . ?
C18 C17 P3 112.9(2) . . ?
C18 C17 H17A 109.0 . . ?
P3 C17 H17A 109.0 . . ?
C18 C17 H17B 109.0 . . ?
P3 C17 H17B 109.0 . . ?
H17A C17 H17B 107.8 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C2 C1 P1 111.7(2) . . ?
C2 C1 H1A 109.3 . . ?
P1 C1 H1A 109.3 . . ?
C2 C1 H1B 109.3 . . ?
P1 C1 H1B 109.3 . . ?
H1A C1 H1B 107.9 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C19 C23 H23A 109.5 . . ?
C19 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C19 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O3 C20 C21 109.3(3) . . ?
O3 C20 C22 107.0(2) . . ?
C21 C20 C22 110.2(3) . . ?
O3 C20 C19 101.8(2) . . ?
C21 C20 C19 115.3(3) . . ?
C22 C20 C19 112.5(3) . . ?
C19 C24 H24A 109.5 . . ?
C19 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C19 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C4 C3 P1 112.6(2) . . ?
C4 C3 H3A 109.1 . . ?
P1 C3 H3A 109.1 . . ?
C4 C3 H3B 109.1 . . ?
P1 C3 H3B 109.1 . . ?
H3A C3 H3B 107.8 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C6 C5 P1 116.5(2) . . ?
C6 C5 H5A 108.2 . . ?
P1 C5 H5A 108.2 . . ?
C6 C5 H5B 108.2 . . ?
P1 C5 H5B 108.2 . . ?
H5A C5 H5B 107.3 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C12 C11 P2 112.9(2) . . ?
C12 C11 H11A 109.0 . . ?
P2 C11 H11A 109.0 . . ?
C12 C11 H11B 109.0 . . ?
P2 C11 H11B 109.0 . . ?
H11A C11 H11B 107.8 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O2 C19 C24 109.8(3) . . ?
O2 C19 C23 107.6(3) . . ?
C24 C19 C23 109.1(3) . . ?
O2 C19 C20 102.7(2) . . ?
C24 C19 C20 114.7(3) . . ?
C23 C19 C20 112.6(3) . . ?
O1 B1 O3 127.8(3) . . ?
O1 B1 O2 123.2(3) . . ?
O3 B1 O2 109.0(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
C17 P3 C13 C14 -179.2(3) . . . . ?
C15 P3 C13 C14 76.9(3) . . . . ?
Rh1 P3 C13 C14 -64.3(3) . . . . ?
C13 P3 C15 C16 59.8(3) . . . . ?
C17 P3 C15 C16 -44.7(3) . . . . ?
Rh1 P3 C15 C16 -167.54(19) . . . . ?
C9 P2 C7 C8 -43.6(3) . . . . ?
C11 P2 C7 C8 59.6(3) . . . . ?
Rh1 P2 C7 C8 -169.7(2) . . . . ?
C11 P2 C9 C10 -169.7(2) . . . . ?
C7 P2 C9 C10 -66.4(3) . . . . ?
Rh1 P2 C9 C10 61.7(3) . . . . ?
C13 P3 C17 C18 -165.4(2) . . . . ?
C15 P3 C17 C18 -61.0(3) . . . . ?
Rh1 P3 C17 C18 75.4(2) . . . . ?
C3 P1 C1 C2 173.7(2) . . . . ?
C5 P1 C1 C2 -80.0(2) . . . . ?
Rh1 P1 C1 C2 60.5(2) . . . . ?
B1 O3 C20 C21 -148.9(3) . . . . ?
B1 O3 C20 C22 91.7(3) . . . . ?
B1 O3 C20 C19 -26.5(3) . . . . ?
C1 P1 C3 C4 171.8(2) . . . . ?
C5 P1 C3 C4 66.9(3) . . . . ?
Rh1 P1 C3 C4 -68.7(2) . . . . ?
C1 P1 C5 C6 -62.9(3) . . . . ?
C3 P1 C5 C6 42.4(3) . . . . ?
Rh1 P1 C5 C6 164.1(2) . . . . ?
C9 P2 C11 C12 173.6(2) . . . . ?
C7 P2 C11 C12 71.0(3) . . . . ?
Rh1 P2 C11 C12 -59.8(3) . . . . ?
B1 O2 C19 C24 -148.1(3) . . . . ?
B1 O2 C19 C23 93.2(3) . . . . ?
B1 O2 C19 C20 -25.7(3) . . . . ?
O3 C20 C19 O2 31.5(3) . . . . ?
C21 C20 C19 O2 149.7(3) . . . . ?
C22 C20 C19 O2 -82.7(3) . . . . ?
O3 C20 C19 C24 150.6(3) . . . . ?
C21 C20 C19 C24 -91.2(4) . . . . ?
C22 C20 C19 C24 36.3(4) . . . . ?
O3 C20 C19 C23 -83.9(3) . . . . ?
C21 C20 C19 C23 34.4(4) . . . . ?
C22 C20 C19 C23 161.9(3) . . . . ?
Rh1 O1 B1 O3 -12.6(5) . . . . ?
Rh1 O1 B1 O2 167.63(19) . . . . ?
C20 O3 B1 O1 -168.0(3) . . . . ?
C20 O3 B1 O2 11.7(3) . . . . ?
C19 O2 B1 O1 -170.2(3) . . . . ?
C19 O2 B1 O3 10.0(3) . . . . ?

_refine_diff_density_max         0.821
_refine_diff_density_min         -0.596
_refine_diff_density_rms         0.069

_shelxl_version_number           2013-4



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

data_c:\users\admin\desktop\sk435
_database_code_depnum_ccdc_archive 'CCDC 1404748'
_audit_update_record             
;
2015-06-03 deposited with the CCDC.
2015-08-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C50 H94 B2 N2 O6 P4 Rh2'
_chemical_formula_sum            'C25 H47 B N O3 P2 Rh'
_chemical_formula_weight         585.30

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'

_cell_length_a                   9.0037(11)
_cell_length_b                   11.2268(13)
_cell_length_c                   15.1421(16)
_cell_angle_alpha                83.982(5)
_cell_angle_beta                 80.950(4)
_cell_angle_gamma                82.455(5)
_cell_volume                     1492.9(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       plates
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.302
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             616
_exptl_absorpt_coefficient_mu    0.703
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6067
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   'Bruker APEX2'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            30204
_diffrn_reflns_av_R_equivalents  0.0605
_diffrn_reflns_av_sigmaI/netI    0.0751
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.31
_diffrn_reflns_theta_max         26.44
_reflns_number_total             12047
_reflns_number_gt                10115
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick 2013)'
_computing_molecular_graphics    ?
_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)+(0.0700P)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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.28(3)
_refine_ls_number_reflns         12047
_refine_ls_number_parameters     616
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          0.0669
_refine_ls_R_factor_gt           0.0490
_refine_ls_wR_factor_ref         0.1218
_refine_ls_wR_factor_gt          0.1114
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_restrained_S_all      1.018
_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
C1 C -0.0225(6) 0.4899(5) 0.5715(4) 0.0293(13) Uani 1 1 d . . .
H1A H -0.1031 0.5042 0.6231 0.035 Uiso 1 1 calc R . .
H1B H -0.0615 0.5289 0.5166 0.035 Uiso 1 1 calc R . .
C2 C 0.0128(8) 0.3544(6) 0.5633(5) 0.0403(16) Uani 1 1 d . . .
H2A H 0.0956 0.3394 0.5140 0.061 Uiso 1 1 calc R . .
H2B H -0.0775 0.3225 0.5512 0.061 Uiso 1 1 calc R . .
H2C H 0.0429 0.3144 0.6195 0.061 Uiso 1 1 calc R . .
C3 C 0.1700(6) 0.5168(6) 0.7032(4) 0.0297(13) Uani 1 1 d . . .
H3A H 0.1946 0.4281 0.7102 0.036 Uiso 1 1 calc R . .
H3B H 0.2598 0.5525 0.7139 0.036 Uiso 1 1 calc R . .
C4 C 0.0409(7) 0.5520(7) 0.7757(4) 0.0389(15) Uani 1 1 d . . .
H4A H 0.0204 0.6401 0.7734 0.058 Uiso 1 1 calc R . .
H4B H 0.0684 0.5204 0.8345 0.058 Uiso 1 1 calc R . .
H4C H -0.0498 0.5183 0.7662 0.058 Uiso 1 1 calc R . .
C5 C 0.0619(7) 0.7176(6) 0.5837(5) 0.0323(14) Uani 1 1 d . . .
H5A H 0.0173 0.7385 0.5275 0.039 Uiso 1 1 calc R . .
H5B H -0.0213 0.7274 0.6345 0.039 Uiso 1 1 calc R . .
C6 C 0.1737(9) 0.8059(6) 0.5885(6) 0.0475(18) Uani 1 1 d . . .
H6A H 0.2101 0.7921 0.6468 0.071 Uiso 1 1 calc R . .
H6B H 0.1236 0.8886 0.5812 0.071 Uiso 1 1 calc R . .
H6C H 0.2596 0.7942 0.5405 0.071 Uiso 1 1 calc R . .
C7 C 0.5274(7) 0.3393(6) 0.3040(4) 0.0305(13) Uani 1 1 d . . .
H7A H 0.6142 0.3296 0.2553 0.037 Uiso 1 1 calc R . .
H7B H 0.5330 0.2658 0.3462 0.037 Uiso 1 1 calc R . .
C8 C 0.3805(8) 0.3500(7) 0.2637(5) 0.0493(19) Uani 1 1 d . . .
H8A H 0.2939 0.3551 0.3119 0.074 Uiso 1 1 calc R . .
H8B H 0.3797 0.2789 0.2314 0.074 Uiso 1 1 calc R . .
H8C H 0.3736 0.4227 0.2220 0.074 Uiso 1 1 calc R . .
C9 C 0.7337(7) 0.4347(6) 0.3983(5) 0.0319(15) Uani 1 1 d . . .
H9A H 0.7417 0.4912 0.4429 0.038 Uiso 1 1 calc R . .
H9B H 0.7403 0.3525 0.4293 0.038 Uiso 1 1 calc R . .
C10 C 0.8708(7) 0.4405(6) 0.3251(5) 0.0389(16) Uani 1 1 d . . .
H10A H 0.8627 0.3886 0.2784 0.058 Uiso 1 1 calc R . .
H10B H 0.9635 0.4129 0.3512 0.058 Uiso 1 1 calc R . .
H10C H 0.8742 0.5238 0.2987 0.058 Uiso 1 1 calc R . .
C11 C 0.5663(7) 0.5908(6) 0.2734(4) 0.0340(14) Uani 1 1 d . . .
H11A H 0.6529 0.5654 0.2277 0.041 Uiso 1 1 calc R . .
H11B H 0.4740 0.6044 0.2441 0.041 Uiso 1 1 calc R . .
C12 C 0.5922(9) 0.7088(6) 0.3065(5) 0.0502(19) Uani 1 1 d . . .
H12A H 0.5021 0.7392 0.3466 0.075 Uiso 1 1 calc R . .
H12B H 0.6116 0.7682 0.2550 0.075 Uiso 1 1 calc R . .
H12C H 0.6797 0.6950 0.3390 0.075 Uiso 1 1 calc R . .
C13 C 0.2345(7) 0.5786(6) 0.3929(4) 0.0284(13) Uani 1 1 d . . .
C14 C 0.5434(6) 0.5090(5) 0.6259(4) 0.0226(11) Uani 1 1 d . . .
C15 C 0.5648(7) 0.6286(5) 0.5873(4) 0.0238(13) Uani 1 1 d . . .
H15 H 0.5404 0.6547 0.5290 0.029 Uiso 1 1 calc R . .
C16 C 0.6219(6) 0.7068(5) 0.6361(4) 0.0282(13) Uani 1 1 d . . .
H16 H 0.6381 0.7853 0.6094 0.034 Uiso 1 1 calc R . .
C17 C 0.6554(6) 0.6740(6) 0.7215(4) 0.0292(13) Uani 1 1 d . . .
H17 H 0.6920 0.7292 0.7539 0.035 Uiso 1 1 calc R . .
C18 C 0.6343(6) 0.5583(5) 0.7590(4) 0.0250(12) Uani 1 1 d . . .
H18 H 0.6581 0.5335 0.8176 0.030 Uiso 1 1 calc R . .
C19 C 0.5788(6) 0.4780(5) 0.7120(4) 0.0241(12) Uani 1 1 d . . .
H19 H 0.5646 0.3995 0.7396 0.029 Uiso 1 1 calc R . .
C20 C 0.4501(7) 0.1153(5) 0.5806(4) 0.0257(12) Uani 1 1 d . . .
C21 C 0.5769(7) 0.1126(5) 0.6389(4) 0.0252(12) Uani 1 1 d . . .
C22 C 0.2949(7) 0.1029(6) 0.6364(5) 0.0363(14) Uani 1 1 d . . .
H22A H 0.2759 0.1598 0.6829 0.054 Uiso 1 1 calc R . .
H22B H 0.2932 0.0204 0.6648 0.054 Uiso 1 1 calc R . .
H22C H 0.2163 0.1205 0.5973 0.054 Uiso 1 1 calc R . .
C23 C 0.4810(8) 0.0263(5) 0.5090(4) 0.0350(14) Uani 1 1 d . . .
H23A H 0.3952 0.0349 0.4753 0.053 Uiso 1 1 calc R . .
H23B H 0.4948 -0.0561 0.5376 0.053 Uiso 1 1 calc R . .
H23C H 0.5730 0.0425 0.4679 0.053 Uiso 1 1 calc R . .
C24 C 0.5585(8) 0.0308(5) 0.7256(4) 0.0335(14) Uani 1 1 d . . .
H24A H 0.6470 0.0297 0.7562 0.050 Uiso 1 1 calc R . .
H24B H 0.5498 -0.0512 0.7118 0.050 Uiso 1 1 calc R . .
H24C H 0.4670 0.0610 0.7647 0.050 Uiso 1 1 calc R . .
C25 C 0.7367(7) 0.0847(6) 0.5884(4) 0.0346(14) Uani 1 1 d . . .
H25A H 0.7486 0.1373 0.5325 0.052 Uiso 1 1 calc R . .
H25B H 0.7528 0.0002 0.5745 0.052 Uiso 1 1 calc R . .
H25C H 0.8111 0.0987 0.6259 0.052 Uiso 1 1 calc R . .
C26 C -0.3916(8) 1.1120(7) 0.0320(6) 0.0466(18) Uani 1 1 d . . .
H26A H -0.4678 1.1831 0.0250 0.056 Uiso 1 1 calc R . .
H26B H -0.4162 1.0483 -0.0020 0.056 Uiso 1 1 calc R . .
C27 C -0.4026(9) 1.0676(8) 0.1289(6) 0.056(2) Uani 1 1 d . . .
H27A H -0.3336 0.9931 0.1359 0.085 Uiso 1 1 calc R . .
H27B H -0.5066 1.0514 0.1518 0.085 Uiso 1 1 calc R . .
H27C H -0.3746 1.1289 0.1628 0.085 Uiso 1 1 calc R . .
C28 C -0.1802(7) 1.2878(6) 0.0374(5) 0.0381(15) Uani 1 1 d . . .
H28A H -0.1652 1.2620 0.1002 0.046 Uiso 1 1 calc R . .
H28B H -0.0865 1.3201 0.0068 0.046 Uiso 1 1 calc R . .
C29 C -0.3093(9) 1.3908(7) 0.0387(5) 0.0500(19) Uani 1 1 d . . .
H29A H -0.3179 1.4246 -0.0228 0.075 Uiso 1 1 calc R . .
H29B H -0.2884 1.4537 0.0737 0.075 Uiso 1 1 calc R . .
H29C H -0.4044 1.3601 0.0662 0.075 Uiso 1 1 calc R . .
C30 C -0.2398(8) 1.2115(7) -0.1293(5) 0.0419(16) Uani 1 1 d . . .
H30A H -0.2909 1.1517 -0.1534 0.050 Uiso 1 1 calc R . .
H30B H -0.3109 1.2866 -0.1249 0.050 Uiso 1 1 calc R . .
C31 C -0.1014(10) 1.2378(10) -0.1951(6) 0.073(3) Uani 1 1 d . . .
H31A H -0.0427 1.2888 -0.1688 0.110 Uiso 1 1 calc R . .
H31B H -0.1328 1.2798 -0.2505 0.110 Uiso 1 1 calc R . .
H31C H -0.0390 1.1619 -0.2089 0.110 Uiso 1 1 calc R . .
C32 C 0.1114(11) 0.7213(7) 0.1073(5) 0.060(2) Uani 1 1 d . . .
H32A H 0.1909 0.6516 0.1093 0.072 Uiso 1 1 calc R . .
H32B H 0.1025 0.7606 0.1637 0.072 Uiso 1 1 calc R . .
C33 C -0.0365(13) 0.6766(11) 0.1018(8) 0.095(3) Uani 1 1 d U . .
H33A H -0.1168 0.7446 0.1031 0.142 Uiso 1 1 calc R . .
H33B H -0.0604 0.6177 0.1529 0.142 Uiso 1 1 calc R . .
H33C H -0.0288 0.6383 0.0457 0.142 Uiso 1 1 calc R . .
C34 C 0.3502(8) 0.8631(7) 0.0350(6) 0.052(2) Uani 1 1 d . . .
H34A H 0.3855 0.9254 -0.0120 0.063 Uiso 1 1 calc R . .
H34B H 0.3322 0.9001 0.0929 0.063 Uiso 1 1 calc R . .
C35 C 0.4803(10) 0.7610(8) 0.0397(7) 0.069(3) Uani 1 1 d . . .
H35A H 0.4508 0.6999 0.0882 0.103 Uiso 1 1 calc R . .
H35B H 0.5704 0.7936 0.0515 0.103 Uiso 1 1 calc R . .
H35C H 0.5030 0.7241 -0.0175 0.103 Uiso 1 1 calc R . .
C36 C 0.2202(8) 0.7355(6) -0.0813(4) 0.0357(15) Uani 1 1 d . . .
H36A H 0.2957 0.6674 -0.0653 0.043 Uiso 1 1 calc R . .
H36B H 0.1293 0.7012 -0.0917 0.043 Uiso 1 1 calc R . .
C37 C 0.2842(10) 0.8028(8) -0.1660(5) 0.059(2) Uani 1 1 d . . .
H37A H 0.2132 0.8737 -0.1800 0.088 Uiso 1 1 calc R . .
H37B H 0.3005 0.7502 -0.2152 0.088 Uiso 1 1 calc R . .
H37C H 0.3809 0.8286 -0.1585 0.088 Uiso 1 1 calc R . .
C38 C -0.1053(7) 0.9122(6) -0.0746(5) 0.0387(16) Uani 1 1 d . . .
C39 C 0.1844(6) 1.1839(5) 0.0240(4) 0.0226(11) Uani 1 1 d . . .
C40 C 0.2075(6) 1.2842(5) 0.0654(4) 0.0283(13) Uani 1 1 d . . .
H40 H 0.1727 1.2894 0.1276 0.034 Uiso 1 1 calc R . .
C41 C 0.2811(7) 1.3764(5) 0.0160(4) 0.0293(13) Uani 1 1 d . . .
H41 H 0.2982 1.4428 0.0456 0.035 Uiso 1 1 calc R . .
C42 C 0.3300(6) 1.3741(5) -0.0748(4) 0.0291(13) Uani 1 1 d . . .
H42 H 0.3772 1.4391 -0.1080 0.035 Uiso 1 1 calc R . .
C43 C 0.3087(6) 1.2741(5) -0.1168(4) 0.0272(12) Uani 1 1 d . . .
H43 H 0.3444 1.2694 -0.1790 0.033 Uiso 1 1 calc R . .
C44 C 0.2358(7) 1.1817(5) -0.0683(4) 0.0253(12) Uani 1 1 d . . .
H44 H 0.2201 1.1152 -0.0983 0.030 Uiso 1 1 calc R . .
C45 C -0.0375(7) 1.0001(5) 0.2993(4) 0.0269(12) Uani 1 1 d . . .
C46 C 0.1143(7) 1.0438(6) 0.3101(4) 0.0318(14) Uani 1 1 d . . .
C47 C -0.0720(9) 0.8825(6) 0.3537(5) 0.0453(17) Uani 1 1 d . . .
H47A H -0.1698 0.8622 0.3428 0.068 Uiso 1 1 calc R . .
H47B H -0.0760 0.8917 0.4177 0.068 Uiso 1 1 calc R . .
H47C H 0.0077 0.8178 0.3355 0.068 Uiso 1 1 calc R . .
C48 C -0.1708(7) 1.0979(6) 0.3158(4) 0.0372(15) Uani 1 1 d . . .
H48A H -0.1473 1.1725 0.2795 0.056 Uiso 1 1 calc R . .
H48B H -0.1893 1.1125 0.3795 0.056 Uiso 1 1 calc R . .
H48C H -0.2613 1.0716 0.2990 0.056 Uiso 1 1 calc R . .
C49 C 0.2411(7) 0.9415(6) 0.3171(4) 0.0380(15) Uani 1 1 d . . .
H49A H 0.2475 0.8908 0.2674 0.057 Uiso 1 1 calc R . .
H49B H 0.2205 0.8928 0.3743 0.057 Uiso 1 1 calc R . .
H49C H 0.3373 0.9748 0.3141 0.057 Uiso 1 1 calc R . .
C50 C 0.1033(8) 1.1255(6) 0.3861(4) 0.0399(16) Uani 1 1 d . . .
H50A H 0.2032 1.1502 0.3879 0.060 Uiso 1 1 calc R . .
H50B H 0.0685 1.0815 0.4434 0.060 Uiso 1 1 calc R . .
H50C H 0.0313 1.1971 0.3758 0.060 Uiso 1 1 calc R . .
B1 B 0.4967(7) 0.3095(6) 0.5923(4) 0.0218(13) Uani 1 1 d . . .
B2 B 0.0803(7) 1.0686(6) 0.1618(4) 0.0237(13) Uani 1 1 d . . .
N1 N 0.4816(5) 0.4352(4) 0.5760(3) 0.0223(10) Uani 1 1 d . . .
N2 N 0.0997(5) 1.0930(4) 0.0691(3) 0.0222(10) Uani 1 1 d . . .
O1 O 0.1612(6) 0.6192(4) 0.3380(3) 0.0453(12) Uani 1 1 d . . .
O2 O 0.4445(5) 0.2367(3) 0.5361(3) 0.0279(9) Uani 1 1 d . . .
O3 O 0.5608(5) 0.2373(3) 0.6605(2) 0.0254(8) Uani 1 1 d . . .
O4 O -0.1625(7) 0.8642(6) -0.1210(4) 0.0680(18) Uani 1 1 d . . .
O5 O -0.0154(4) 0.9829(3) 0.2048(2) 0.0256(8) Uani 1 1 d . . .
O6 O 0.1492(5) 1.1142(4) 0.2250(3) 0.0297(9) Uani 1 1 d . . .
P1 P 0.14195(15) 0.55985(13) 0.58700(10) 0.0220(3) Uani 1 1 d . . .
P2 P 0.54512(16) 0.46953(13) 0.36371(10) 0.0225(3) Uani 1 1 d . . .
P3 P -0.20216(17) 1.15418(14) -0.01649(10) 0.0269(3) Uani 1 1 d . . .
P4 P 0.16890(18) 0.82838(14) 0.01243(10) 0.0281(3) Uani 1 1 d . . .
Rh1 Rh 0.34820(4) 0.51458(3) 0.47738(3) 0.02125(11) Uani 1 1 d . . .
Rh2 Rh -0.01102(4) 0.99387(3) -0.00675(3) 0.02428(12) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.527(9) . ?
C1 P1 1.821(6) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.510(8) . ?
C3 P1 1.822(6) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.518(9) . ?
C5 P1 1.821(6) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.528(9) . ?
C7 P2 1.833(6) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.527(9) . ?
C9 P2 1.836(6) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.522(10) . ?
C11 P2 1.832(6) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 O1 1.162(7) . ?
C13 Rh1 1.797(6) . ?
C14 C19 1.389(8) . ?
C14 N1 1.398(7) . ?
C14 C15 1.432(8) . ?
C15 C16 1.398(8) . ?
C15 H15 0.9500 . ?
C16 C17 1.375(8) . ?
C16 H16 0.9500 . ?
C17 C18 1.387(9) . ?
C17 H17 0.9500 . ?
C18 C19 1.390(8) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 O2 1.453(6) . ?
C20 C23 1.520(8) . ?
C20 C22 1.530(8) . ?
C20 C21 1.546(8) . ?
C21 O3 1.454(7) . ?
C21 C24 1.521(8) . ?
C21 C25 1.530(8) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C27 1.492(11) . ?
C26 P3 1.849(7) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C29 1.527(9) . ?
C28 P3 1.828(7) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C31 1.509(11) . ?
C30 P3 1.828(7) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C33 1.500(15) . ?
C32 P4 1.829(8) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C35 1.533(10) . ?
C34 P4 1.818(7) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 C37 1.493(10) . ?
C36 P4 1.814(6) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 O4 1.146(9) . ?
C38 Rh2 1.816(7) . ?
C39 C40 1.399(8) . ?
C39 C44 1.403(8) . ?
C39 N2 1.408(7) . ?
C40 C41 1.390(8) . ?
C40 H40 0.9500 . ?
C41 C42 1.378(9) . ?
C41 H41 0.9500 . ?
C42 C43 1.395(9) . ?
C42 H42 0.9500 . ?
C43 C44 1.383(8) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C45 O5 1.443(7) . ?
C45 C47 1.522(9) . ?
C45 C48 1.525(8) . ?
C45 C46 1.549(9) . ?
C46 O6 1.452(7) . ?
C46 C49 1.518(8) . ?
C46 C50 1.529(9) . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
B1 O3 1.394(7) . ?
B1 N1 1.399(8) . ?
B1 O2 1.409(8) . ?
B2 N2 1.390(8) . ?
B2 O6 1.392(8) . ?
B2 O5 1.414(8) . ?
N1 Rh1 2.114(4) . ?
N2 Rh2 2.114(5) . ?
P1 Rh1 2.3284(14) . ?
P2 Rh1 2.3128(15) . ?
P3 Rh2 2.3310(15) . ?
P4 Rh2 2.3248(16) . ?

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 C1 P1 112.9(4) . . ?
C2 C1 H1A 109.0 . . ?
P1 C1 H1A 109.0 . . ?
C2 C1 H1B 109.0 . . ?
P1 C1 H1B 109.0 . . ?
H1A C1 H1B 107.8 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C3 P1 117.6(4) . . ?
C4 C3 H3A 107.9 . . ?
P1 C3 H3A 107.9 . . ?
C4 C3 H3B 107.9 . . ?
P1 C3 H3B 107.9 . . ?
H3A C3 H3B 107.2 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 P1 114.8(5) . . ?
C6 C5 H5A 108.6 . . ?
P1 C5 H5A 108.6 . . ?
C6 C5 H5B 108.6 . . ?
P1 C5 H5B 108.6 . . ?
H5A C5 H5B 107.5 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 P2 113.7(4) . . ?
C8 C7 H7A 108.8 . . ?
P2 C7 H7A 108.8 . . ?
C8 C7 H7B 108.8 . . ?
P2 C7 H7B 108.8 . . ?
H7A C7 H7B 107.7 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 P2 117.5(5) . . ?
C10 C9 H9A 107.9 . . ?
P2 C9 H9A 107.9 . . ?
C10 C9 H9B 107.9 . . ?
P2 C9 H9B 107.9 . . ?
H9A C9 H9B 107.2 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 P2 112.9(5) . . ?
C12 C11 H11A 109.0 . . ?
P2 C11 H11A 109.0 . . ?
C12 C11 H11B 109.0 . . ?
P2 C11 H11B 109.0 . . ?
H11A C11 H11B 107.8 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O1 C13 Rh1 179.5(6) . . ?
C19 C14 N1 125.3(5) . . ?
C19 C14 C15 117.1(5) . . ?
N1 C14 C15 117.6(5) . . ?
C16 C15 C14 119.5(5) . . ?
C16 C15 H15 120.3 . . ?
C14 C15 H15 120.3 . . ?
C17 C16 C15 122.3(6) . . ?
C17 C16 H16 118.8 . . ?
C15 C16 H16 118.8 . . ?
C16 C17 C18 118.2(5) . . ?
C16 C17 H17 120.9 . . ?
C18 C17 H17 120.9 . . ?
C17 C18 C19 120.9(5) . . ?
C17 C18 H18 119.6 . . ?
C19 C18 H18 119.6 . . ?
C14 C19 C18 122.0(5) . . ?
C14 C19 H19 119.0 . . ?
C18 C19 H19 119.0 . . ?
O2 C20 C23 108.3(5) . . ?
O2 C20 C22 107.4(5) . . ?
C23 C20 C22 109.7(5) . . ?
O2 C20 C21 102.6(4) . . ?
C23 C20 C21 115.4(5) . . ?
C22 C20 C21 112.8(5) . . ?
O3 C21 C24 109.1(4) . . ?
O3 C21 C25 107.2(5) . . ?
C24 C21 C25 109.4(5) . . ?
O3 C21 C20 101.8(4) . . ?
C24 C21 C20 114.8(5) . . ?
C25 C21 C20 113.9(5) . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C21 C25 H25A 109.5 . . ?
C21 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C21 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C27 C26 P3 113.1(5) . . ?
C27 C26 H26A 109.0 . . ?
P3 C26 H26A 109.0 . . ?
C27 C26 H26B 109.0 . . ?
P3 C26 H26B 109.0 . . ?
H26A C26 H26B 107.8 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C29 C28 P3 117.2(5) . . ?
C29 C28 H28A 108.0 . . ?
P3 C28 H28A 108.0 . . ?
C29 C28 H28B 108.0 . . ?
P3 C28 H28B 108.0 . . ?
H28A C28 H28B 107.2 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 P3 114.9(5) . . ?
C31 C30 H30A 108.5 . . ?
P3 C30 H30A 108.5 . . ?
C31 C30 H30B 108.5 . . ?
P3 C30 H30B 108.5 . . ?
H30A C30 H30B 107.5 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C32 P4 112.7(7) . . ?
C33 C32 H32A 109.0 . . ?
P4 C32 H32A 109.0 . . ?
C33 C32 H32B 109.0 . . ?
P4 C32 H32B 109.0 . . ?
H32A C32 H32B 107.8 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35 C34 P4 118.9(6) . . ?
C35 C34 H34A 107.6 . . ?
P4 C34 H34A 107.6 . . ?
C35 C34 H34B 107.6 . . ?
P4 C34 H34B 107.6 . . ?
H34A C34 H34B 107.0 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C37 C36 P4 113.3(5) . . ?
C37 C36 H36A 108.9 . . ?
P4 C36 H36A 108.9 . . ?
C37 C36 H36B 108.9 . . ?
P4 C36 H36B 108.9 . . ?
H36A C36 H36B 107.7 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
O4 C38 Rh2 176.7(7) . . ?
C40 C39 C44 117.5(5) . . ?
C40 C39 N2 122.5(5) . . ?
C44 C39 N2 119.6(5) . . ?
C41 C40 C39 120.3(5) . . ?
C41 C40 H40 119.9 . . ?
C39 C40 H40 119.9 . . ?
C42 C41 C40 121.8(6) . . ?
C42 C41 H41 119.1 . . ?
C40 C41 H41 119.1 . . ?
C41 C42 C43 118.4(5) . . ?
C41 C42 H42 120.8 . . ?
C43 C42 H42 120.8 . . ?
C44 C43 C42 120.3(5) . . ?
C44 C43 H43 119.9 . . ?
C42 C43 H43 119.9 . . ?
C43 C44 C39 121.6(5) . . ?
C43 C44 H44 119.2 . . ?
C39 C44 H44 119.2 . . ?
O5 C45 C47 109.6(5) . . ?
O5 C45 C48 106.9(5) . . ?
C47 C45 C48 110.6(5) . . ?
O5 C45 C46 101.8(4) . . ?
C47 C45 C46 115.2(5) . . ?
C48 C45 C46 112.0(5) . . ?
O6 C46 C49 107.9(5) . . ?
O6 C46 C50 108.8(5) . . ?
C49 C46 C50 110.6(5) . . ?
O6 C46 C45 101.5(4) . . ?
C49 C46 C45 113.0(5) . . ?
C50 C46 C45 114.5(5) . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C46 C49 H49A 109.5 . . ?
C46 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C46 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C46 C50 H50A 109.5 . . ?
C46 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C46 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
O3 B1 N1 128.9(5) . . ?
O3 B1 O2 109.9(5) . . ?
N1 B1 O2 121.2(5) . . ?
N2 B2 O6 129.1(6) . . ?
N2 B2 O5 121.0(5) . . ?
O6 B2 O5 109.8(5) . . ?
C14 N1 B1 122.4(5) . . ?
C14 N1 Rh1 119.5(3) . . ?
B1 N1 Rh1 117.9(4) . . ?
B2 N2 C39 123.0(5) . . ?
B2 N2 Rh2 118.2(4) . . ?
C39 N2 Rh2 118.7(4) . . ?
B1 O2 C20 107.1(4) . . ?
B1 O3 C21 108.1(4) . . ?
B2 O5 C45 106.4(4) . . ?
B2 O6 C46 107.8(5) . . ?
C5 P1 C1 100.1(3) . . ?
C5 P1 C3 105.6(3) . . ?
C1 P1 C3 105.6(3) . . ?
C5 P1 Rh1 115.2(2) . . ?
C1 P1 Rh1 112.0(2) . . ?
C3 P1 Rh1 116.62(19) . . ?
C11 P2 C7 103.1(3) . . ?
C11 P2 C9 104.6(3) . . ?
C7 P2 C9 103.5(3) . . ?
C11 P2 Rh1 113.7(2) . . ?
C7 P2 Rh1 114.9(2) . . ?
C9 P2 Rh1 115.6(2) . . ?
C28 P3 C30 104.8(3) . . ?
C28 P3 C26 105.7(3) . . ?
C30 P3 C26 99.4(4) . . ?
C28 P3 Rh2 115.8(2) . . ?
C30 P3 Rh2 116.6(2) . . ?
C26 P3 Rh2 112.7(3) . . ?
C36 P4 C34 103.5(4) . . ?
C36 P4 C32 103.6(4) . . ?
C34 P4 C32 103.0(4) . . ?
C36 P4 Rh2 115.9(2) . . ?
C34 P4 Rh2 115.4(2) . . ?
C32 P4 Rh2 113.7(3) . . ?
C13 Rh1 N1 178.7(2) . . ?
C13 Rh1 P2 88.4(2) . . ?
N1 Rh1 P2 91.22(13) . . ?
C13 Rh1 P1 89.2(2) . . ?
N1 Rh1 P1 91.23(13) . . ?
P2 Rh1 P1 177.28(6) . . ?
C38 Rh2 N2 178.3(3) . . ?
C38 Rh2 P4 91.2(2) . . ?
N2 Rh2 P4 89.74(12) . . ?
C38 Rh2 P3 88.8(2) . . ?
N2 Rh2 P3 90.37(12) . . ?
P4 Rh2 P3 175.79(6) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C19 C14 C15 C16 1.2(8) . . . . ?
N1 C14 C15 C16 178.0(5) . . . . ?
C14 C15 C16 C17 -1.5(9) . . . . ?
C15 C16 C17 C18 1.4(8) . . . . ?
C16 C17 C18 C19 -0.9(8) . . . . ?
N1 C14 C19 C18 -177.3(5) . . . . ?
C15 C14 C19 C18 -0.7(8) . . . . ?
C17 C18 C19 C14 0.6(8) . . . . ?
O2 C20 C21 O3 31.9(5) . . . . ?
C23 C20 C21 O3 149.5(5) . . . . ?
C22 C20 C21 O3 -83.3(5) . . . . ?
O2 C20 C21 C24 149.6(5) . . . . ?
C23 C20 C21 C24 -92.8(6) . . . . ?
C22 C20 C21 C24 34.4(7) . . . . ?
O2 C20 C21 C25 -83.1(5) . . . . ?
C23 C20 C21 C25 34.4(7) . . . . ?
C22 C20 C21 C25 161.6(5) . . . . ?
C44 C39 C40 C41 -1.0(8) . . . . ?
N2 C39 C40 C41 -174.6(5) . . . . ?
C39 C40 C41 C42 1.7(9) . . . . ?
C40 C41 C42 C43 -2.1(9) . . . . ?
C41 C42 C43 C44 2.0(8) . . . . ?
C42 C43 C44 C39 -1.5(9) . . . . ?
C40 C39 C44 C43 1.0(8) . . . . ?
N2 C39 C44 C43 174.7(5) . . . . ?
O5 C45 C46 O6 34.9(5) . . . . ?
C47 C45 C46 O6 153.4(5) . . . . ?
C48 C45 C46 O6 -79.0(5) . . . . ?
O5 C45 C46 C49 -80.4(5) . . . . ?
C47 C45 C46 C49 38.1(7) . . . . ?
C48 C45 C46 C49 165.7(5) . . . . ?
O5 C45 C46 C50 151.8(5) . . . . ?
C47 C45 C46 C50 -89.7(7) . . . . ?
C48 C45 C46 C50 37.9(7) . . . . ?
C19 C14 N1 B1 -23.2(8) . . . . ?
C15 C14 N1 B1 160.3(5) . . . . ?
C19 C14 N1 Rh1 152.9(4) . . . . ?
C15 C14 N1 Rh1 -23.7(6) . . . . ?
O3 B1 N1 C14 5.2(9) . . . . ?
O2 B1 N1 C14 -174.5(5) . . . . ?
O3 B1 N1 Rh1 -170.9(5) . . . . ?
O2 B1 N1 Rh1 9.3(7) . . . . ?
O6 B2 N2 C39 -8.1(9) . . . . ?
O5 B2 N2 C39 175.0(5) . . . . ?
O6 B2 N2 Rh2 174.6(4) . . . . ?
O5 B2 N2 Rh2 -2.3(7) . . . . ?
C40 C39 N2 B2 -24.8(8) . . . . ?
C44 C39 N2 B2 161.8(5) . . . . ?
C40 C39 N2 Rh2 152.5(4) . . . . ?
C44 C39 N2 Rh2 -20.9(6) . . . . ?
O3 B1 O2 C20 11.0(6) . . . . ?
N1 B1 O2 C20 -169.2(5) . . . . ?
C23 C20 O2 B1 -149.0(5) . . . . ?
C22 C20 O2 B1 92.5(5) . . . . ?
C21 C20 O2 B1 -26.6(6) . . . . ?
N1 B1 O3 C21 -168.9(6) . . . . ?
O2 B1 O3 C21 10.9(6) . . . . ?
C24 C21 O3 B1 -148.2(5) . . . . ?
C25 C21 O3 B1 93.4(5) . . . . ?
C20 C21 O3 B1 -26.5(5) . . . . ?
N2 B2 O5 C45 -166.9(5) . . . . ?
O6 B2 O5 C45 15.7(6) . . . . ?
C47 C45 O5 B2 -153.5(5) . . . . ?
C48 C45 O5 B2 86.6(5) . . . . ?
C46 C45 O5 B2 -31.0(5) . . . . ?
N2 B2 O6 C46 -168.9(6) . . . . ?
O5 B2 O6 C46 8.2(6) . . . . ?
C49 C46 O6 B2 92.4(6) . . . . ?
C50 C46 O6 B2 -147.6(5) . . . . ?
C45 C46 O6 B2 -26.6(5) . . . . ?
C6 C5 P1 C1 -176.0(5) . . . . ?
C6 C5 P1 C3 74.5(6) . . . . ?
C6 C5 P1 Rh1 -55.7(6) . . . . ?
C2 C1 P1 C5 175.2(5) . . . . ?
C2 C1 P1 C3 -75.3(5) . . . . ?
C2 C1 P1 Rh1 52.6(5) . . . . ?
C4 C3 P1 C5 47.0(6) . . . . ?
C4 C3 P1 C1 -58.5(6) . . . . ?
C4 C3 P1 Rh1 176.4(4) . . . . ?
C12 C11 P2 C7 -176.7(5) . . . . ?
C12 C11 P2 C9 -68.7(5) . . . . ?
C12 C11 P2 Rh1 58.2(5) . . . . ?
C8 C7 P2 C11 -68.2(5) . . . . ?
C8 C7 P2 C9 -177.0(5) . . . . ?
C8 C7 P2 Rh1 56.1(5) . . . . ?
C10 C9 P2 C11 -36.8(6) . . . . ?
C10 C9 P2 C7 70.9(6) . . . . ?
C10 C9 P2 Rh1 -162.6(4) . . . . ?
C29 C28 P3 C30 54.7(7) . . . . ?
C29 C28 P3 C26 -49.7(7) . . . . ?
C29 C28 P3 Rh2 -175.3(5) . . . . ?
C31 C30 P3 C28 79.9(7) . . . . ?
C31 C30 P3 C26 -170.9(7) . . . . ?
C31 C30 P3 Rh2 -49.5(7) . . . . ?
C27 C26 P3 C28 -67.9(6) . . . . ?
C27 C26 P3 C30 -176.3(6) . . . . ?
C27 C26 P3 Rh2 59.6(6) . . . . ?
C37 C36 P4 C34 -67.8(6) . . . . ?
C37 C36 P4 C32 -175.1(6) . . . . ?
C37 C36 P4 Rh2 59.6(6) . . . . ?
C35 C34 P4 C36 -46.5(8) . . . . ?
C35 C34 P4 C32 61.2(8) . . . . ?
C35 C34 P4 Rh2 -174.3(6) . . . . ?
C33 C32 P4 C36 -70.9(7) . . . . ?
C33 C32 P4 C34 -178.5(7) . . . . ?
C33 C32 P4 Rh2 55.9(8) . . . . ?
O1 C13 Rh1 N1 -14(82) . . . . ?
O1 C13 Rh1 P2 59(74) . . . . ?
O1 C13 Rh1 P1 -120(74) . . . . ?
C14 N1 Rh1 C13 176(68) . . . . ?
B1 N1 Rh1 C13 -8(11) . . . . ?
C14 N1 Rh1 P2 103.8(4) . . . . ?
B1 N1 Rh1 P2 -79.9(4) . . . . ?
C14 N1 Rh1 P1 -77.3(4) . . . . ?
B1 N1 Rh1 P1 98.9(4) . . . . ?
C11 P2 Rh1 C13 42.3(3) . . . . ?
C7 P2 Rh1 C13 -76.1(3) . . . . ?
C9 P2 Rh1 C13 163.3(3) . . . . ?
C11 P2 Rh1 N1 -138.9(3) . . . . ?
C7 P2 Rh1 N1 102.6(3) . . . . ?
C9 P2 Rh1 N1 -17.9(3) . . . . ?
C11 P2 Rh1 P1 66.8(13) . . . . ?
C7 P2 Rh1 P1 -51.6(13) . . . . ?
C9 P2 Rh1 P1 -172.1(12) . . . . ?
C5 P1 Rh1 C13 -55.9(3) . . . . ?
C1 P1 Rh1 C13 57.7(3) . . . . ?
C3 P1 Rh1 C13 179.4(3) . . . . ?
C5 P1 Rh1 N1 125.4(3) . . . . ?
C1 P1 Rh1 N1 -121.0(2) . . . . ?
C3 P1 Rh1 N1 0.7(3) . . . . ?
C5 P1 Rh1 P2 -80.4(13) . . . . ?
C1 P1 Rh1 P2 33.2(13) . . . . ?
C3 P1 Rh1 P2 154.9(12) . . . . ?
O4 C38 Rh2 N2 11(17) . . . . ?
O4 C38 Rh2 P4 -111(10) . . . . ?
O4 C38 Rh2 P3 73(10) . . . . ?
B2 N2 Rh2 C38 162(8) . . . . ?
C39 N2 Rh2 C38 -16(8) . . . . ?
B2 N2 Rh2 P4 -76.2(4) . . . . ?
C39 N2 Rh2 P4 106.4(4) . . . . ?
B2 N2 Rh2 P3 99.6(4) . . . . ?
C39 N2 Rh2 P3 -77.8(4) . . . . ?
C36 P4 Rh2 C38 33.3(4) . . . . ?
C34 P4 Rh2 C38 154.5(4) . . . . ?
C32 P4 Rh2 C38 -86.7(4) . . . . ?
C36 P4 Rh2 N2 -145.3(3) . . . . ?
C34 P4 Rh2 N2 -24.0(3) . . . . ?
C32 P4 Rh2 N2 94.7(4) . . . . ?
C36 P4 Rh2 P3 123.2(9) . . . . ?
C34 P4 Rh2 P3 -115.6(9) . . . . ?
C32 P4 Rh2 P3 3.2(10) . . . . ?
C28 P3 Rh2 C38 -177.4(4) . . . . ?
C30 P3 Rh2 C38 -53.4(4) . . . . ?
C26 P3 Rh2 C38 60.6(4) . . . . ?
C28 P3 Rh2 N2 1.1(3) . . . . ?
C30 P3 Rh2 N2 125.1(3) . . . . ?
C26 P3 Rh2 N2 -120.9(3) . . . . ?
C28 P3 Rh2 P4 92.6(9) . . . . ?
C30 P3 Rh2 P4 -143.4(9) . . . . ?
C26 P3 Rh2 P4 -29.3(9) . . . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        26.44
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         1.323
_refine_diff_density_min         -1.141
_refine_diff_density_rms         0.115
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_r14_sk499b
_database_code_depnum_ccdc_archive 'CCDC 1404749'
_audit_update_record             
;
2015-06-03 deposited with the CCDC.
2015-08-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '2(C37 H84 B2 O4 P4 Rh2 S2), C7 H13'
_chemical_formula_sum            'C81 H181 B4 O8 P8 Rh4 S4'
_chemical_formula_weight         2114.14

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 2/c'
_symmetry_space_group_name_Hall  '-C 2yc'

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

_cell_length_a                   40.160(3)
_cell_length_b                   15.9681(11)
_cell_length_c                   20.1668(13)
_cell_angle_alpha                90.00
_cell_angle_beta                 118.3330(18)
_cell_angle_gamma                90.00
_cell_volume                     11383.2(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9829
_cell_measurement_theta_min      2.36
_cell_measurement_theta_max      26.39

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.234
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4460
_exptl_absorpt_coefficient_mu    0.798
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6227
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            99844
_diffrn_reflns_av_R_equivalents  0.1069
_diffrn_reflns_av_sigmaI/netI    0.0714
_diffrn_reflns_limit_h_min       -50
_diffrn_reflns_limit_h_max       50
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.30
_diffrn_reflns_theta_max         26.48
_reflns_number_total             11747
_reflns_number_gt                7151
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_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)+(0.1090P)²+134.3585P] 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         11747
_refine_ls_number_parameters     553
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1306
_refine_ls_R_factor_gt           0.0689
_refine_ls_wR_factor_ref         0.2159
_refine_ls_wR_factor_gt          0.1728
_refine_ls_goodness_of_fit_ref   0.929
_refine_ls_restrained_S_all      0.929
_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
Rh2 Rh 0.610055(15) 0.14954(3) 0.74865(3) 0.03226(17) Uani 1 1 d . . .
B2 B 0.5974(3) 0.2461(6) 0.8887(5) 0.046(2) Uani 1 1 d . . .
C1 C 0.62382(19) 0.1516(4) 0.6770(4) 0.0380(16) Uani 1 1 d . . .
Rh1 Rh 0.640338(17) 0.15822(4) 0.60885(3) 0.04181(19) Uani 1 1 d . A .
C2 C 0.8000(3) 0.1220(7) 0.7261(5) 0.070(3) Uani 1 1 d . . .
H2A H 0.7902 0.0664 0.7283 0.106 Uiso 1 1 calc R . .
H2B H 0.7998 0.1577 0.7655 0.106 Uiso 1 1 calc R . .
H2C H 0.8260 0.1167 0.7341 0.106 Uiso 1 1 calc R . .
S1 S 0.66319(5) 0.16811(15) 0.51408(10) 0.0529(6) Uani 1 1 d . . .
S2 S 0.59085(5) 0.14578(11) 0.84908(10) 0.0362(4) Uani 1 1 d . . .
C3 C 0.7752(2) 0.1610(6) 0.6492(5) 0.062(2) Uani 1 1 d . . .
C4 C 0.7874(3) 0.2517(6) 0.6477(6) 0.074(3) Uani 1 1 d . . .
H4A H 0.7708 0.2766 0.5984 0.111 Uiso 1 1 calc R . .
H4B H 0.8136 0.2524 0.6564 0.111 Uiso 1 1 calc R . .
H4C H 0.7856 0.2840 0.6872 0.111 Uiso 1 1 calc R . .
C5 C 0.7736(3) 0.0169(6) 0.5942(6) 0.069(3) Uani 1 1 d . . .
H5A H 0.7643 -0.0121 0.5458 0.104 Uiso 1 1 calc R . .
H5B H 0.7579 0.0016 0.6175 0.104 Uiso 1 1 calc R . .
H5C H 0.7999 0.0007 0.6275 0.104 Uiso 1 1 calc R . .
P1 P 0.54603(6) 0.16577(13) 0.66573(12) 0.0450(5) Uani 1 1 d . . .
C6 C 0.7714(2) 0.1136(6) 0.5809(4) 0.060(2) Uani 1 1 d . . .
P2 P 0.62593(7) 0.01856(14) 0.57285(12) 0.0534(6) Uani 1 1 d . . .
C7 C 0.7980(2) 0.1373(6) 0.5507(5) 0.065(3) Uani 1 1 d . . .
H7A H 0.7932 0.1013 0.5077 0.097 Uiso 1 1 calc R . .
H7B H 0.8242 0.1300 0.5902 0.097 Uiso 1 1 calc R . .
H7C H 0.7938 0.1959 0.5344 0.097 Uiso 1 1 calc R . .
P3 P 0.66974(6) 0.10806(16) 0.84017(12) 0.0531(6) Uani 1 1 d . . .
C8 C 0.6116(3) -0.0453(5) 0.6303(5) 0.060(2) Uani 1 1 d . A .
H8A H 0.6296 -0.0342 0.6839 0.072 Uiso 1 1 calc R . .
H8B H 0.5864 -0.0252 0.6213 0.072 Uiso 1 1 calc R . .
P4 P 0.64908(8) 0.30133(16) 0.62383(14) 0.0675(7) Uani 1 1 d . . .
C9 C 0.6091(3) -0.1396(5) 0.6188(6) 0.066(3) Uani 1 1 d . . .
H9A H 0.5948 -0.1521 0.5649 0.100 Uiso 1 1 calc R A .
H9B H 0.5963 -0.1645 0.6450 0.100 Uiso 1 1 calc R . .
H9C H 0.6346 -0.1629 0.6391 0.100 Uiso 1 1 calc R . .
C14 C 0.6967(4) 0.3413(7) 0.6558(7) 0.107(5) Uani 1 1 d . A .
H14A H 0.7057 0.3229 0.6202 0.128 Uiso 1 1 calc R . .
H14B H 0.6958 0.4033 0.6549 0.128 Uiso 1 1 calc R . .
C32 C 0.6932(2) 0.1758(6) 0.9218(5) 0.064(3) Uani 1 1 d . . .
H32A H 0.6773 0.1796 0.9470 0.077 Uiso 1 1 calc R . .
H32B H 0.7175 0.1495 0.9578 0.077 Uiso 1 1 calc R . .
C15 C 0.7252(4) 0.3125(11) 0.7356(7) 0.145(7) Uani 1 1 d . . .
H15A H 0.7277 0.2514 0.7362 0.217 Uiso 1 1 calc R A .
H15B H 0.7163 0.3293 0.7712 0.217 Uiso 1 1 calc R . .
H15C H 0.7499 0.3383 0.7502 0.217 Uiso 1 1 calc R . .
C18 C 0.6339(3) 0.3492(5) 0.6870(5) 0.068(3) Uani 1 1 d . A .
H18A H 0.6075 0.3310 0.6706 0.081 Uiso 1 1 calc R . .
H18B H 0.6497 0.3256 0.7379 0.081 Uiso 1 1 calc R . .
C19 C 0.6351(5) 0.4438(7) 0.6942(8) 0.152(7) Uani 1 1 d . . .
H19A H 0.6160 0.4686 0.6469 0.228 Uiso 1 1 calc R A .
H19B H 0.6602 0.4641 0.7053 0.228 Uiso 1 1 calc R . .
H19C H 0.6298 0.4599 0.7352 0.228 Uiso 1 1 calc R . .
C20 C 0.6473(4) 0.3347(8) 1.0367(6) 0.126(6) Uani 1 1 d . . .
H20A H 0.6606 0.3002 1.0165 0.189 Uiso 1 1 calc R . .
H20B H 0.6478 0.3066 1.0803 0.189 Uiso 1 1 calc R . .
H20C H 0.6598 0.3893 1.0521 0.189 Uiso 1 1 calc R . .
O1 O 0.73649(16) 0.1610(4) 0.6383(3) 0.0630(17) Uani 1 1 d . . .
O2 O 0.73299(14) 0.1335(4) 0.5250(3) 0.0544(14) Uani 1 1 d . . .
C21 C 0.6059(4) 0.3474(6) 0.9753(6) 0.090(4) Uani 1 1 d . . .
C22 C 0.5825(5) 0.3847(8) 1.0075(8) 0.131(6) Uani 1 1 d . . .
H22A H 0.5885 0.4444 1.0176 0.197 Uiso 1 1 calc R . .
H22B H 0.5880 0.3560 1.0546 0.197 Uiso 1 1 calc R . .
H22C H 0.5556 0.3783 0.9714 0.197 Uiso 1 1 calc R . .
C23 C 0.6336(4) 0.4521(7) 0.9174(7) 0.108(5) Uani 1 1 d . . .
H23A H 0.6336 0.4634 0.8696 0.163 Uiso 1 1 calc R . .
H23B H 0.6582 0.4294 0.9538 0.163 Uiso 1 1 calc R . .
H23C H 0.6288 0.5042 0.9371 0.163 Uiso 1 1 calc R . .
O3 O 0.59148(19) 0.2630(4) 0.9498(3) 0.0683(18) Uani 1 1 d . . .
O4 O 0.60775(17) 0.3179(3) 0.8648(3) 0.0568(15) Uani 1 1 d . . .
C24 C 0.6027(4) 0.3885(6) 0.9044(6) 0.078(3) Uani 1 1 d . . .
C25 C 0.5639(4) 0.4250(6) 0.8557(8) 0.104(4) Uani 1 1 d . . .
H25A H 0.5620 0.4434 0.8076 0.156 Uiso 1 1 calc R . .
H25B H 0.5600 0.4730 0.8814 0.156 Uiso 1 1 calc R . .
H25C H 0.5446 0.3824 0.8463 0.156 Uiso 1 1 calc R . .
C26 C 0.5216(2) 0.2566(5) 0.6780(5) 0.055(2) Uani 1 1 d . . .
H26A H 0.4941 0.2507 0.6441 0.066 Uiso 1 1 calc R . .
H26B H 0.5257 0.2572 0.7305 0.066 Uiso 1 1 calc R . .
C27 C 0.5348(3) 0.3394(6) 0.6618(7) 0.085(3) Uani 1 1 d . . .
H27A H 0.5309 0.3393 0.6101 0.128 Uiso 1 1 calc R . .
H27B H 0.5617 0.3472 0.6970 0.128 Uiso 1 1 calc R . .
H27C H 0.5202 0.3851 0.6680 0.128 Uiso 1 1 calc R . .
B1 B 0.7130(3) 0.1528(6) 0.5619(5) 0.048(2) Uani 1 1 d . . .
C33 C 0.7013(3) 0.2644(7) 0.9047(6) 0.081(3) Uani 1 1 d . . .
H33A H 0.7192 0.2619 0.8846 0.122 Uiso 1 1 calc R . .
H33B H 0.7122 0.2977 0.9510 0.122 Uiso 1 1 calc R . .
H33C H 0.6777 0.2904 0.8674 0.122 Uiso 1 1 calc R . .
C34 C 0.6684(2) 0.0102(5) 0.8857(4) 0.058(2) Uani 1 1 d . . .
H34A H 0.6945 -0.0037 0.9245 0.069 Uiso 1 1 calc R . .
H34B H 0.6532 0.0192 0.9119 0.069 Uiso 1 1 calc R . .
C35 C 0.6524(3) -0.0635(6) 0.8339(5) 0.084(3) Uani 1 1 d . . .
H35A H 0.6277 -0.0487 0.7921 0.126 Uiso 1 1 calc R . .
H35B H 0.6496 -0.1109 0.8618 0.126 Uiso 1 1 calc R . .
H35C H 0.6696 -0.0791 0.8140 0.126 Uiso 1 1 calc R . .
C100 C 0.5447(6) 0.6630(13) 0.6671(12) 0.077(6) Uiso 0.50 1 d P . .
C101 C 0.5785(5) 0.6341(10) 0.7549(9) 0.054(4) Uiso 0.50 1 d P . .
H100 H 0.5676 0.5950 0.7775 0.065 Uiso 0.50 1 calc PR . .
H101 H 0.5995 0.6051 0.7517 0.065 Uiso 0.50 1 calc PR . .
C102 C 0.5935(6) 0.7126(12) 0.8042(11) 0.069(5) Uiso 0.50 1 d P . .
H102 H 0.6091 0.6932 0.8567 0.083 Uiso 0.50 1 calc PR . .
H103 H 0.6109 0.7407 0.7894 0.083 Uiso 0.50 1 calc PR . .
C103 C 0.5725(7) 0.7649(15) 0.8052(13) 0.091(7) Uiso 0.50 1 d P . .
H104 H 0.5873 0.8166 0.8273 0.109 Uiso 0.50 1 calc PR . .
H105 H 0.5625 0.7458 0.8389 0.109 Uiso 0.50 1 calc PR . .
C104 C 0.5438(9) 0.784(2) 0.7393(18) 0.138(11) Uiso 0.50 1 d P . .
H106 H 0.5532 0.8246 0.7153 0.165 Uiso 0.50 1 calc PR . .
H107 H 0.5251 0.8136 0.7495 0.165 Uiso 0.50 1 calc PR . .
C105 C 0.5244(5) 0.7244(12) 0.6867(10) 0.064(5) Uiso 0.50 1 d P . .
H108 H 0.5069 0.7540 0.6398 0.077 Uiso 0.50 1 calc PR . .
H109 H 0.5086 0.6935 0.7040 0.077 Uiso 0.50 1 calc PR . .
C106 C 0.5260(6) 0.5943(12) 0.6205(11) 0.074(5) Uiso 0.50 1 d P . .
H110 H 0.5093 0.5685 0.6375 0.112 Uiso 0.50 1 calc PR . .
H111 H 0.5448 0.5531 0.6233 0.112 Uiso 0.50 1 calc PR . .
H112 H 0.5111 0.6135 0.5684 0.112 Uiso 0.50 1 calc PR . .
C28 C 0.5181(2) 0.0811(6) 0.6769(6) 0.072(3) Uani 1 1 d . . .
H28A H 0.5216 0.0824 0.7289 0.086 Uiso 1 1 calc R . .
H28B H 0.4909 0.0911 0.6420 0.086 Uiso 1 1 calc R . .
C29 C 0.5288(3) -0.0052(7) 0.6614(10) 0.131(6) Uani 1 1 d . . .
H29A H 0.5253 -0.0070 0.6099 0.196 Uiso 1 1 calc R . .
H29B H 0.5127 -0.0475 0.6671 0.196 Uiso 1 1 calc R . .
H29C H 0.5553 -0.0166 0.6971 0.196 Uiso 1 1 calc R . .
C36 C 0.7051(3) 0.0887(8) 0.8078(6) 0.088(4) Uani 1 1 d . . .
H36A H 0.6940 0.0489 0.7651 0.106 Uiso 1 1 calc R . .
H36B H 0.7095 0.1421 0.7882 0.106 Uiso 1 1 calc R . .
C37 C 0.7437(3) 0.0540(10) 0.8667(6) 0.121(6) Uani 1 1 d . . .
H37A H 0.7572 0.0310 0.8410 0.182 Uiso 1 1 calc R . .
H37B H 0.7398 0.0098 0.8959 0.182 Uiso 1 1 calc R . .
H37C H 0.7587 0.0993 0.9005 0.182 Uiso 1 1 calc R . .
C16 C 0.6234(5) 0.3582(6) 0.5346(6) 0.111(5) Uani 1 1 d . A .
H16A H 0.6277 0.4190 0.5446 0.133 Uiso 1 1 calc R . .
H16B H 0.6339 0.3421 0.5008 0.133 Uiso 1 1 calc R . .
C17 C 0.5826(5) 0.3423(8) 0.4959(7) 0.128(6) Uani 1 1 d . . .
H17A H 0.5707 0.3748 0.4491 0.192 Uiso 1 1 calc R A .
H17B H 0.5719 0.3591 0.5285 0.192 Uiso 1 1 calc R . .
H17C H 0.5780 0.2825 0.4842 0.192 Uiso 1 1 calc R . .
C30 C 0.5330(3) 0.1670(7) 0.5660(5) 0.077(3) Uani 1 1 d . . .
H30A H 0.5454 0.2159 0.5569 0.093 Uiso 1 1 calc R . .
H30B H 0.5437 0.1162 0.5551 0.093 Uiso 1 1 calc R . .
C31 C 0.4908(3) 0.1707(8) 0.5094(6) 0.107(5) Uani 1 1 d . . .
H31A H 0.4875 0.1744 0.4582 0.160 Uiso 1 1 calc R . .
H31B H 0.4794 0.2200 0.5197 0.160 Uiso 1 1 calc R . .
H31C H 0.4783 0.1200 0.5140 0.160 Uiso 1 1 calc R . .
C10 C 0.6572(6) -0.0526(12) 0.5579(10) 0.033(4) Uani 0.56(4) 1 d P A 1
H10A H 0.6441 -0.1064 0.5376 0.040 Uiso 0.56(4) 1 calc PR A 1
H10B H 0.6639 -0.0281 0.5207 0.040 Uiso 0.56(4) 1 calc PR A 1
C11 C 0.6932(5) -0.0680(15) 0.6322(11) 0.041(5) Uani 0.56(4) 1 d P A 1
H11A H 0.7097 -0.1067 0.6236 0.062 Uiso 0.56(4) 1 calc PR A 1
H11B H 0.6866 -0.0925 0.6689 0.062 Uiso 0.56(4) 1 calc PR A 1
H11C H 0.7065 -0.0148 0.6517 0.062 Uiso 0.56(4) 1 calc PR A 1
C12 C 0.5804(5) -0.0016(9) 0.4790(7) 0.035(4) Uani 0.57(2) 1 d P A 1
H12A H 0.5805 -0.0601 0.4629 0.042 Uiso 0.57(2) 1 calc PR A 1
H12B H 0.5581 0.0052 0.4873 0.042 Uiso 0.57(2) 1 calc PR A 1
C13 C 0.5766(4) 0.0562(9) 0.4177(9) 0.044(5) Uani 0.57(2) 1 d P A 1
H13A H 0.5539 0.0414 0.3709 0.066 Uiso 0.57(2) 1 calc PR A 1
H13B H 0.5989 0.0511 0.4104 0.066 Uiso 0.57(2) 1 calc PR A 1
H13C H 0.5744 0.1139 0.4316 0.066 Uiso 0.57(2) 1 calc PR A 1
C10B C 0.6727(10) -0.0286(18) 0.590(2) 0.051(8) Uani 0.44(4) 1 d P A 2
H10C H 0.6677 -0.0871 0.5710 0.061 Uiso 0.44(4) 1 calc PR A 2
H10D H 0.6810 0.0022 0.5575 0.061 Uiso 0.44(4) 1 calc PR A 2
C11B C 0.7053(9) -0.030(2) 0.668(2) 0.066(9) Uani 0.44(4) 1 d P A 2
H11D H 0.7254 -0.0658 0.6685 0.100 Uiso 0.44(4) 1 calc PR A 2
H11E H 0.6969 -0.0532 0.7024 0.100 Uiso 0.44(4) 1 calc PR A 2
H11F H 0.7149 0.0266 0.6831 0.100 Uiso 0.44(4) 1 calc PR A 2
C12B C 0.5999(9) 0.0181(14) 0.4800(13) 0.063(8) Uani 0.43(2) 1 d P A 2
H12C H 0.6149 0.0436 0.4579 0.075 Uiso 0.43(2) 1 calc PR A 2
H12D H 0.5949 -0.0408 0.4628 0.075 Uiso 0.43(2) 1 calc PR A 2
C13B C 0.5622(7) 0.0639(15) 0.4489(12) 0.065(8) Uani 0.43(2) 1 d P A 2
H13D H 0.5665 0.1215 0.4679 0.097 Uiso 0.43(2) 1 calc PR A 2
H13E H 0.5458 0.0351 0.4651 0.097 Uiso 0.43(2) 1 calc PR A 2
H13F H 0.5501 0.0646 0.3938 0.097 Uiso 0.43(2) 1 calc PR A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh2 C1 1.776(7) . ?
Rh2 P3 2.322(2) . ?
Rh2 P1 2.322(2) . ?
Rh2 S2 2.4864(16) . ?
B2 O4 1.382(10) . ?
B2 O3 1.388(10) . ?
B2 S2 1.753(9) . ?
C1 Rh1 1.790(7) . ?
Rh1 P4 2.310(3) . ?
Rh1 P2 2.332(2) . ?
Rh1 S1 2.4868(18) . ?
C2 C3 1.524(12) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
S1 B1 1.777(10) . ?
C3 O1 1.461(10) . ?
C3 C6 1.515(12) . ?
C3 C4 1.534(12) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.562(13) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
P1 C30 1.822(9) . ?
P1 C26 1.833(7) . ?
P1 C28 1.839(9) . ?
C6 O2 1.450(10) . ?
C6 C7 1.506(11) . ?
P2 C12B 1.66(2) . ?
P2 C10 1.821(16) . ?
P2 C8 1.829(8) . ?
P2 C10B 1.90(2) . ?
P2 C12 1.936(14) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
P3 C32 1.815(9) . ?
P3 C34 1.826(9) . ?
P3 C36 1.849(9) . ?
C8 C9 1.520(11) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
P4 C14 1.819(12) . ?
P4 C18 1.821(9) . ?
P4 C16 1.834(11) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C14 C15 1.537(19) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C32 C33 1.528(13) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C18 C19 1.517(13) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C21 1.545(19) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
O1 B1 1.379(10) . ?
O2 B1 1.364(10) . ?
C21 O3 1.459(10) . ?
C21 C22 1.496(15) . ?
C21 C24 1.522(14) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.527(13) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
O4 C24 1.451(10) . ?
C24 C25 1.508(16) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C27 1.515(13) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C35 1.501(13) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C100 C106 1.41(3) . ?
C100 C105 1.45(3) . ?
C100 C101 1.71(3) . ?
C101 C102 1.53(2) . ?
C101 H100 0.9900 . ?
C101 H101 0.9900 . ?
C102 C103 1.19(3) . ?
C102 H102 0.9900 . ?
C102 H103 0.9900 . ?
C103 C104 1.32(3) . ?
C103 H104 0.9900 . ?
C103 H105 0.9900 . ?
C104 C105 1.36(3) . ?
C104 H106 0.9900 . ?
C104 H107 0.9900 . ?
C105 H108 0.9900 . ?
C105 H109 0.9900 . ?
C106 H110 0.9800 . ?
C106 H111 0.9800 . ?
C106 H112 0.9800 . ?
C28 C29 1.518(13) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C36 C37 1.541(13) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C16 C17 1.463(19) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C30 C31 1.533(13) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C10 C11 1.53(2) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.49(2) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C10B C11B 1.49(3) . ?
C10B H10C 0.9900 . ?
C10B H10D 0.9900 . ?
C11B H11D 0.9800 . ?
C11B H11E 0.9800 . ?
C11B H11F 0.9800 . ?
C12B C13B 1.52(4) . ?
C12B H12C 0.9900 . ?
C12B H12D 0.9900 . ?
C13B H13D 0.9800 . ?
C13B H13E 0.9800 . ?
C13B H13F 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Rh2 P3 92.8(2) . . ?
C1 Rh2 P1 94.5(2) . . ?
P3 Rh2 P1 167.60(8) . . ?
C1 Rh2 S2 179.7(2) . . ?
P3 Rh2 S2 87.01(7) . . ?
P1 Rh2 S2 85.63(7) . . ?
O4 B2 O3 110.8(7) . . ?
O4 B2 S2 127.2(6) . . ?
O3 B2 S2 122.0(6) . . ?
Rh2 C1 Rh1 176.1(4) . . ?
C1 Rh1 P4 92.7(2) . . ?
C1 Rh1 P2 93.1(2) . . ?
P4 Rh1 P2 170.67(9) . . ?
C1 Rh1 S1 179.7(2) . . ?
P4 Rh1 S1 87.08(8) . . ?
P2 Rh1 S1 87.08(7) . . ?
C3 C2 H2A 109.5 . . ?
C3 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C3 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
B1 S1 Rh1 107.8(3) . . ?
B2 S2 Rh2 108.1(3) . . ?
O1 C3 C6 102.9(6) . . ?
O1 C3 C2 106.8(7) . . ?
C6 C3 C2 117.1(8) . . ?
O1 C3 C4 108.9(8) . . ?
C6 C3 C4 110.3(8) . . ?
C2 C3 C4 110.2(8) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 H5A 109.5 . . ?
C6 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C6 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C30 P1 C26 104.4(4) . . ?
C30 P1 C28 105.7(5) . . ?
C26 P1 C28 99.7(4) . . ?
C30 P1 Rh2 115.8(3) . . ?
C26 P1 Rh2 118.2(3) . . ?
C28 P1 Rh2 111.2(3) . . ?
O2 C6 C7 109.1(7) . . ?
O2 C6 C3 101.9(7) . . ?
C7 C6 C3 117.3(8) . . ?
O2 C6 C5 107.6(7) . . ?
C7 C6 C5 108.9(8) . . ?
C3 C6 C5 111.3(7) . . ?
C12B P2 C10 85.7(11) . . ?
C12B P2 C8 119.6(10) . . ?
C10 P2 C8 101.9(6) . . ?
C12B P2 C10B 103.9(15) . . ?
C8 P2 C10B 104.4(8) . . ?
C10 P2 C12 98.1(8) . . ?
C8 P2 C12 95.2(6) . . ?
C10B P2 C12 120.3(14) . . ?
C12B P2 Rh1 106.6(8) . . ?
C10 P2 Rh1 124.0(7) . . ?
C8 P2 Rh1 116.2(3) . . ?
C10B P2 Rh1 104.2(11) . . ?
C12 P2 Rh1 116.3(4) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C32 P3 C34 100.4(4) . . ?
C32 P3 C36 105.3(5) . . ?
C34 P3 C36 104.2(5) . . ?
C32 P3 Rh2 116.5(3) . . ?
C34 P3 Rh2 112.2(3) . . ?
C36 P3 Rh2 116.3(3) . . ?
C9 C8 P2 118.2(6) . . ?
C9 C8 H8A 107.7 . . ?
P2 C8 H8A 107.7 . . ?
C9 C8 H8B 107.7 . . ?
P2 C8 H8B 107.7 . . ?
H8A C8 H8B 107.1 . . ?
C14 P4 C18 104.4(5) . . ?
C14 P4 C16 100.5(7) . . ?
C18 P4 C16 105.0(6) . . ?
C14 P4 Rh1 117.6(4) . . ?
C18 P4 Rh1 115.2(3) . . ?
C16 P4 Rh1 112.4(4) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C15 C14 P4 113.7(7) . . ?
C15 C14 H14A 108.8 . . ?
P4 C14 H14A 108.8 . . ?
C15 C14 H14B 108.8 . . ?
P4 C14 H14B 108.8 . . ?
H14A C14 H14B 107.7 . . ?
C33 C32 P3 114.9(6) . . ?
C33 C32 H32A 108.5 . . ?
P3 C32 H32A 108.5 . . ?
C33 C32 H32B 108.5 . . ?
P3 C32 H32B 108.5 . . ?
H32A C32 H32B 107.5 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C19 C18 P4 118.7(7) . . ?
C19 C18 H18A 107.6 . . ?
P4 C18 H18A 107.6 . . ?
C19 C18 H18B 107.6 . . ?
P4 C18 H18B 107.6 . . ?
H18A C18 H18B 107.1 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 H20A 109.5 . . ?
C21 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C21 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
B1 O1 C3 106.5(6) . . ?
B1 O2 C6 108.1(6) . . ?
O3 C21 C22 107.2(8) . . ?
O3 C21 C24 103.0(7) . . ?
C22 C21 C24 116.5(12) . . ?
O3 C21 C20 104.9(10) . . ?
C22 C21 C20 111.3(10) . . ?
C24 C21 C20 112.8(9) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 H23A 109.5 . . ?
C24 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C24 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
B2 O3 C21 106.6(6) . . ?
B2 O4 C24 107.9(6) . . ?
O4 C24 C25 108.2(9) . . ?
O4 C24 C21 102.2(8) . . ?
C25 C24 C21 112.4(10) . . ?
O4 C24 C23 107.2(8) . . ?
C25 C24 C23 110.9(10) . . ?
C21 C24 C23 115.2(10) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C27 C26 P1 113.4(6) . . ?
C27 C26 H26A 108.9 . . ?
P1 C26 H26A 108.9 . . ?
C27 C26 H26B 108.9 . . ?
P1 C26 H26B 108.9 . . ?
H26A C26 H26B 107.7 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O2 B1 O1 111.2(7) . . ?
O2 B1 S1 122.5(6) . . ?
O1 B1 S1 126.2(6) . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35 C34 P3 115.2(6) . . ?
C35 C34 H34A 108.5 . . ?
P3 C34 H34A 108.5 . . ?
C35 C34 H34B 108.5 . . ?
P3 C34 H34B 108.5 . . ?
H34A C34 H34B 107.5 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C106 C100 C105 121.3(19) . . ?
C106 C100 C101 113.0(17) . . ?
C105 C100 C101 100.0(16) . . ?
C102 C101 C100 109.0(14) . . ?
C102 C101 H100 109.9 . . ?
C100 C101 H100 109.9 . . ?
C102 C101 H101 109.9 . . ?
C100 C101 H101 109.9 . . ?
H100 C101 H101 108.3 . . ?
C103 C102 C101 121(2) . . ?
C103 C102 H102 107.0 . . ?
C101 C102 H102 107.0 . . ?
C103 C102 H103 107.0 . . ?
C101 C102 H103 107.0 . . ?
H102 C102 H103 106.7 . . ?
C102 C103 C104 115(3) . . ?
C102 C103 H104 108.4 . . ?
C104 C103 H104 108.4 . . ?
C102 C103 H105 108.4 . . ?
C104 C103 H105 108.4 . . ?
H104 C103 H105 107.5 . . ?
C103 C104 C105 122(3) . . ?
C103 C104 H106 106.8 . . ?
C105 C104 H106 106.8 . . ?
C103 C104 H107 106.8 . . ?
C105 C104 H107 106.8 . . ?
H106 C104 H107 106.6 . . ?
C104 C105 C100 120(2) . . ?
C104 C105 H108 107.4 . . ?
C100 C105 H108 107.4 . . ?
C104 C105 H109 107.4 . . ?
C100 C105 H109 107.4 . . ?
H108 C105 H109 106.9 . . ?
C100 C106 H110 109.5 . . ?
C100 C106 H111 109.5 . . ?
H110 C106 H111 109.5 . . ?
C100 C106 H112 109.5 . . ?
H110 C106 H112 109.5 . . ?
H111 C106 H112 109.5 . . ?
C29 C28 P1 113.1(7) . . ?
C29 C28 H28A 109.0 . . ?
P1 C28 H28A 109.0 . . ?
C29 C28 H28B 109.0 . . ?
P1 C28 H28B 109.0 . . ?
H28A C28 H28B 107.8 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C37 C36 P3 116.6(7) . . ?
C37 C36 H36A 108.1 . . ?
P3 C36 H36A 108.1 . . ?
C37 C36 H36B 108.1 . . ?
P3 C36 H36B 108.1 . . ?
H36A C36 H36B 107.3 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C17 C16 P4 113.8(8) . . ?
C17 C16 H16A 108.8 . . ?
P4 C16 H16A 108.8 . . ?
C17 C16 H16B 108.8 . . ?
P4 C16 H16B 108.8 . . ?
H16A C16 H16B 107.7 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C31 C30 P1 117.3(8) . . ?
C31 C30 H30A 108.0 . . ?
P1 C30 H30A 108.0 . . ?
C31 C30 H30B 108.0 . . ?
P1 C30 H30B 108.0 . . ?
H30A C30 H30B 107.2 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C11 C10 P2 110.2(10) . . ?
C11 C10 H10A 109.6 . . ?
P2 C10 H10A 109.6 . . ?
C11 C10 H10B 109.6 . . ?
P2 C10 H10B 109.6 . . ?
H10A C10 H10B 108.1 . . ?
C13 C12 P2 112.6(11) . . ?
C13 C12 H12A 109.1 . . ?
P2 C12 H12A 109.1 . . ?
C13 C12 H12B 109.1 . . ?
P2 C12 H12B 109.1 . . ?
H12A C12 H12B 107.8 . . ?
C11B C10B P2 119.5(18) . . ?
C11B C10B H10C 107.4 . . ?
P2 C10B H10C 107.4 . . ?
C11B C10B H10D 107.4 . . ?
P2 C10B H10D 107.4 . . ?
H10C C10B H10D 107.0 . . ?
C10B C11B H11D 109.5 . . ?
C10B C11B H11E 109.5 . . ?
H11D C11B H11E 109.5 . . ?
C10B C11B H11F 109.5 . . ?
H11D C11B H11F 109.5 . . ?
H11E C11B H11F 109.5 . . ?
C13B C12B P2 115.8(17) . . ?
C13B C12B H12C 108.3 . . ?
P2 C12B H12C 108.3 . . ?
C13B C12B H12D 108.3 . . ?
P2 C12B H12D 108.3 . . ?
H12C C12B H12D 107.4 . . ?
C12B C13B H13D 109.5 . . ?
C12B C13B H13E 109.5 . . ?
H13D C13B H13E 109.5 . . ?
C12B C13B H13F 109.5 . . ?
H13D C13B H13F 109.5 . . ?
H13E C13B H13F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P4 Rh1 S1 B1 91.1(3) . . . . ?
P2 Rh1 S1 B1 -96.2(3) . . . . ?
O4 B2 S2 Rh2 6.1(9) . . . . ?
O3 B2 S2 Rh2 -175.9(7) . . . . ?
P3 Rh2 S2 B2 92.3(3) . . . . ?
P1 Rh2 S2 B2 -97.7(3) . . . . ?
C1 Rh2 P1 C30 4.0(5) . . . . ?
P3 Rh2 P1 C30 -121.9(5) . . . . ?
S2 Rh2 P1 C30 -175.7(4) . . . . ?
C1 Rh2 P1 C26 -121.0(4) . . . . ?
P3 Rh2 P1 C26 113.1(5) . . . . ?
S2 Rh2 P1 C26 59.4(3) . . . . ?
C1 Rh2 P1 C28 124.7(4) . . . . ?
P3 Rh2 P1 C28 -1.2(5) . . . . ?
S2 Rh2 P1 C28 -55.0(3) . . . . ?
O1 C3 C6 O2 29.9(8) . . . . ?
C2 C3 C6 O2 146.7(7) . . . . ?
C4 C3 C6 O2 -86.1(8) . . . . ?
O1 C3 C6 C7 149.0(8) . . . . ?
C2 C3 C6 C7 -94.2(10) . . . . ?
C4 C3 C6 C7 32.9(11) . . . . ?
O1 C3 C6 C5 -84.6(8) . . . . ?
C2 C3 C6 C5 32.2(10) . . . . ?
C4 C3 C6 C5 159.4(7) . . . . ?
C1 Rh1 P2 C12B 127.8(10) . . . . ?
S1 Rh1 P2 C12B -52.0(10) . . . . ?
C1 Rh1 P2 C10 -136.0(7) . . . . ?
S1 Rh1 P2 C10 44.2(6) . . . . ?
C1 Rh1 P2 C8 -8.4(4) . . . . ?
S1 Rh1 P2 C8 171.8(4) . . . . ?
C1 Rh1 P2 C10B -122.6(11) . . . . ?
S1 Rh1 P2 C10B 57.5(10) . . . . ?
C1 Rh1 P2 C12 102.5(6) . . . . ?
S1 Rh1 P2 C12 -77.4(6) . . . . ?
C1 Rh2 P3 C32 122.2(4) . . . . ?
P1 Rh2 P3 C32 -111.7(5) . . . . ?
S2 Rh2 P3 C32 -58.1(3) . . . . ?
C1 Rh2 P3 C34 -122.8(4) . . . . ?
P1 Rh2 P3 C34 3.2(5) . . . . ?
S2 Rh2 P3 C34 56.9(3) . . . . ?
C1 Rh2 P3 C36 -3.0(5) . . . . ?
P1 Rh2 P3 C36 123.1(6) . . . . ?
S2 Rh2 P3 C36 176.7(5) . . . . ?
C12B P2 C8 C9 61.1(13) . . . . ?
C10 P2 C8 C9 -30.8(11) . . . . ?
C10B P2 C8 C9 -54.5(15) . . . . ?
C12 P2 C8 C9 68.6(9) . . . . ?
Rh1 P2 C8 C9 -168.6(6) . . . . ?
C1 Rh1 P4 C14 119.6(5) . . . . ?
S1 Rh1 P4 C14 -60.6(4) . . . . ?
C1 Rh1 P4 C18 -4.3(5) . . . . ?
S1 Rh1 P4 C18 175.6(4) . . . . ?
C1 Rh1 P4 C16 -124.6(6) . . . . ?
S1 Rh1 P4 C16 55.3(6) . . . . ?
C18 P4 C14 C15 65.0(10) . . . . ?
C16 P4 C14 C15 173.6(10) . . . . ?
Rh1 P4 C14 C15 -64.1(10) . . . . ?
C34 P3 C32 C33 176.7(7) . . . . ?
C36 P3 C32 C33 68.7(8) . . . . ?
Rh2 P3 C32 C33 -61.9(7) . . . . ?
C14 P4 C18 C19 55.3(12) . . . . ?
C16 P4 C18 C19 -49.9(12) . . . . ?
Rh1 P4 C18 C19 -174.2(10) . . . . ?
C6 C3 O1 B1 -25.1(9) . . . . ?
C2 C3 O1 B1 -149.0(8) . . . . ?
C4 C3 O1 B1 92.0(8) . . . . ?
C7 C6 O2 B1 -149.7(8) . . . . ?
C3 C6 O2 B1 -25.0(8) . . . . ?
C5 C6 O2 B1 92.2(8) . . . . ?
O4 B2 O3 C21 -11.3(11) . . . . ?
S2 B2 O3 C21 170.3(8) . . . . ?
C22 C21 O3 B2 149.2(10) . . . . ?
C24 C21 O3 B2 25.9(12) . . . . ?
C20 C21 O3 B2 -92.3(9) . . . . ?
O3 B2 O4 C24 -9.2(11) . . . . ?
S2 B2 O4 C24 169.0(8) . . . . ?
B2 O4 C24 C25 -94.2(9) . . . . ?
B2 O4 C24 C21 24.6(11) . . . . ?
B2 O4 C24 C23 146.1(9) . . . . ?
O3 C21 C24 O4 -30.3(11) . . . . ?
C22 C21 C24 O4 -147.3(9) . . . . ?
C20 C21 C24 O4 82.2(10) . . . . ?
O3 C21 C24 C25 85.5(10) . . . . ?
C22 C21 C24 C25 -31.5(12) . . . . ?
C20 C21 C24 C25 -162.0(9) . . . . ?
O3 C21 C24 C23 -146.1(10) . . . . ?
C22 C21 C24 C23 96.9(13) . . . . ?
C20 C21 C24 C23 -33.7(13) . . . . ?
C30 P1 C26 C27 -63.3(8) . . . . ?
C28 P1 C26 C27 -172.4(7) . . . . ?
Rh2 P1 C26 C27 67.1(8) . . . . ?
C6 O2 B1 O1 10.1(10) . . . . ?
C6 O2 B1 S1 -171.8(7) . . . . ?
C3 O1 B1 O2 10.3(9) . . . . ?
C3 O1 B1 S1 -167.7(7) . . . . ?
Rh1 S1 B1 O2 163.1(6) . . . . ?
Rh1 S1 B1 O1 -19.2(9) . . . . ?
C32 P3 C34 C35 -176.4(7) . . . . ?
C36 P3 C34 C35 -67.5(8) . . . . ?
Rh2 P3 C34 C35 59.1(7) . . . . ?
C106 C100 C101 C102 -172.7(17) . . . . ?
C105 C100 C101 C102 -42.3(19) . . . . ?
C100 C101 C102 C103 46(3) . . . . ?
C101 C102 C103 C104 -41(4) . . . . ?
C102 C103 C104 C105 40(5) . . . . ?
C103 C104 C105 C100 -49(4) . . . . ?
C106 C100 C105 C104 171(2) . . . . ?
C101 C100 C105 C104 47(3) . . . . ?
C30 P1 C28 C29 65.8(10) . . . . ?
C26 P1 C28 C29 173.9(9) . . . . ?
Rh2 P1 C28 C29 -60.7(10) . . . . ?
C32 P3 C36 C37 54.3(12) . . . . ?
C34 P3 C36 C37 -50.9(11) . . . . ?
Rh2 P3 C36 C37 -175.0(9) . . . . ?
C14 P4 C16 C17 -176.9(10) . . . . ?
C18 P4 C16 C17 -68.7(11) . . . . ?
Rh1 P4 C16 C17 57.3(12) . . . . ?
C26 P1 C30 C31 -53.0(10) . . . . ?
C28 P1 C30 C31 51.7(9) . . . . ?
Rh2 P1 C30 C31 175.3(7) . . . . ?
C12B P2 C10 C11 172.7(13) . . . . ?
C8 P2 C10 C11 -67.9(11) . . . . ?
C10B P2 C10 C11 31(2) . . . . ?
C12 P2 C10 C11 -165.0(10) . . . . ?
Rh1 P2 C10 C11 65.5(11) . . . . ?
C12B P2 C12 C13 -28(2) . . . . ?
C10 P2 C12 C13 -90.1(12) . . . . ?
C8 P2 C12 C13 167.0(11) . . . . ?
C10B P2 C12 C13 -83.0(14) . . . . ?
Rh1 P2 C12 C13 44.3(13) . . . . ?
C12B P2 C10B C11B 173.7(18) . . . . ?
C10 P2 C10B C11B -147(4) . . . . ?
C8 P2 C10B C11B -60.3(18) . . . . ?
C12 P2 C10B C11B -165.2(15) . . . . ?
Rh1 P2 C10B C11B 62.1(18) . . . . ?
C10 P2 C12B C13B 174(2) . . . . ?
C8 P2 C12B C13B 72(2) . . . . ?
C10B P2 C12B C13B -171.8(19) . . . . ?
C12 P2 C12B C13B 55(2) . . . . ?
Rh1 P2 C12B C13B -62(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        26.48
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.833
_refine_diff_density_min         -1.127
_refine_diff_density_rms         0.128
