# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_absp1bar_b
_database_code_depnum_ccdc_archive 'CCDC 2166332'
loop_
_audit_author_name
_audit_author_address
'Kangsang Lee'
;University of Central Florida
United States of America
;
_audit_update_record             
;
2022-04-13 deposited with the CCDC.	2022-08-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H36 Cl P2 Rh'
_chemical_formula_weight         644.93

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   10.3091(3)
_cell_length_b                   12.7665(4)
_cell_length_c                   13.3424(4)
_cell_angle_alpha                107.8640(10)
_cell_angle_beta                 101.0930(10)
_cell_angle_gamma                112.0990(10)
_cell_volume                     1451.17(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9975
_cell_measurement_theta_min      2.28
_cell_measurement_theta_max      28.43

_exptl_crystal_description       rectangular
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.476
_exptl_crystal_F_000             664
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.333
_exptl_crystal_size_mid          0.186
_exptl_crystal_size_min          0.072
_exptl_absorpt_coefficient_mu    0.813
_shelx_estimated_absorpt_T_min   0.773
_shelx_estimated_absorpt_T_max   0.944
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.915
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            26262
_diffrn_reflns_av_unetI/netI     0.0279
_diffrn_reflns_av_R_equivalents  0.0180
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.711
_diffrn_reflns_theta_max         28.431
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.842
_diffrn_reflns_point_group_measured_fraction_full 0.868
_reflns_number_total             12341
_reflns_number_gt                11705
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.690
_reflns_Friedel_fraction_max     0.688
_reflns_Friedel_fraction_full    0.735

_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-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0224P)²+0.2021P] 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 4568 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   -0.006(7)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         12341
_refine_ls_number_parameters     685
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0227
_refine_ls_R_factor_gt           0.0203
_refine_ls_wR_factor_ref         0.0469
_refine_ls_wR_factor_gt          0.0459
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Rh01 Rh 0.44070(2) 0.49003(2) 1.02681(2) 0.01042(6) Uani 1 1 d . . . . .
Rh02 Rh 0.49935(2) 0.52114(2) 0.77918(2) 0.01046(6) Uani 1 1 d . . . . .
Cl1 Cl 0.34118(10) 0.54982(8) 0.88585(7) 0.01437(19) Uani 1 1 d . . . . .
P3 P 0.51510(10) 0.43223(8) 1.15351(7) 0.01107(18) Uani 1 1 d . . . . .
P4 P 0.29163(10) 0.51823(8) 1.11392(8) 0.01156(18) Uani 1 1 d . . . . .
P1 P 0.62972(10) 0.48794(8) 0.67601(7) 0.01206(18) Uani 1 1 d . . . . .
P2 P 0.41877(10) 0.58980(8) 0.66552(8) 0.01211(18) Uani 1 1 d . . . . .
Cl2 Cl 0.60607(10) 0.46746(8) 0.92294(7) 0.01484(19) Uani 1 1 d . . . . .
C42 C 0.3439(5) 0.0817(3) 1.3137(3) 0.0248(9) Uani 1 1 d . . . . .
H42 H 0.3156 0.0400 1.3599 0.030 Uiso 1 1 calc R U . . .
C18 C 0.4782(4) 0.5608(3) 0.5428(3) 0.0167(7) Uani 1 1 d . . . . .
H18A H 0.4043 0.4786 0.4819 0.020 Uiso 1 1 calc R U . . .
H18B H 0.4857 0.6253 0.5144 0.020 Uiso 1 1 calc R U . . .
C38 C 0.7101(4) 0.4725(3) 1.2269(3) 0.0152(7) Uani 1 1 d . . . . .
H38 H 0.7076 0.4441 1.2888 0.018 Uiso 1 1 calc R U . . .
C35 C 0.4628(4) 0.2628(3) 1.0963(3) 0.0149(7) Uani 1 1 d . . . . .
H35 H 0.3724 0.2186 1.0267 0.018 Uiso 1 1 calc R U . . .
C29 C 0.1229(4) 0.4109(3) 0.5196(3) 0.0167(7) Uani 1 1 d . . . . .
C34 C 0.1047(4) 0.3171(3) 0.5569(3) 0.0211(7) Uani 1 1 d . . . . .
H34 H 0.1538 0.3387 0.6336 0.025 Uiso 1 1 calc R U . . .
C26 C 0.6052(5) 0.9120(3) 1.0845(3) 0.0317(9) Uani 1 1 d . . . . .
H26 H 0.6347 0.9439 1.1641 0.038 Uiso 1 1 calc R U . . .
C17 C 0.6296(4) 0.5643(3) 0.5788(3) 0.0178(7) Uani 1 1 d . . . . .
H17A H 0.7098 0.6516 0.6167 0.021 Uiso 1 1 calc R U . . .
H17B H 0.6480 0.5204 0.5122 0.021 Uiso 1 1 calc R U . . .
C4 C 0.8277(3) 0.5282(3) 0.7400(3) 0.0151(6) Uani 1 1 d . . . . .
H4 H 0.8316 0.4955 0.7991 0.018 Uiso 1 1 calc R U . . .
C16 C 0.9544(3) 0.7288(3) 0.9125(3) 0.0181(6) Uani 1 1 d . . . . .
H16 H 0.9103 0.6834 0.9520 0.022 Uiso 1 1 calc R U . . .
C9 C 0.5779(4) 0.1423(3) 0.7605(3) 0.0252(7) Uani 1 1 d . . . . .
H9 H 0.6451 0.1245 0.8031 0.030 Uiso 1 1 calc R U . . .
C57 C 0.0203(3) 0.3106(3) 0.9511(3) 0.0185(6) Uani 1 1 d . . . . .
C47 C 0.9473(3) 0.8063(3) 1.2730(3) 0.0215(6) Uani 1 1 d . . . . .
H47 H 0.9638 0.8539 1.2299 0.026 Uiso 1 1 calc R U . . .
C27 C 0.4745(5) 0.8999(3) 1.0213(3) 0.0274(9) Uani 1 1 d . . . . .
H27 H 0.4135 0.9245 1.0576 0.033 Uiso 1 1 calc R U . . .
C10 C 0.6272(3) 0.2149(3) 0.7033(3) 0.0210(6) Uani 1 1 d . . . . .
H10 H 0.7284 0.2466 0.7074 0.025 Uiso 1 1 calc R U . . .
C2 C 0.7242(3) 0.3391(3) 0.5537(3) 0.0220(6) Uani 1 1 d . . . . .
H2A H 0.7156 0.3494 0.4826 0.026 Uiso 1 1 calc R U . . .
H2B H 0.7329 0.2620 0.5427 0.026 Uiso 1 1 calc R U . . .
C50 C 0.8966(4) 0.6679(3) 1.3971(3) 0.0213(7) Uani 1 1 d . . . . .
H50 H 0.8788 0.6208 1.4406 0.026 Uiso 1 1 calc R U . . .
C22 C 0.2183(4) 0.5455(3) 0.6013(3) 0.0153(7) Uani 1 1 d . . . . .
H22 H 0.1783 0.5593 0.6641 0.018 Uiso 1 1 calc R U . . .
C53 C 0.0834(3) 0.4390(3) 1.0424(3) 0.0172(7) Uani 1 1 d . . . . .
H53 H 0.0399 0.4281 1.1015 0.021 Uiso 1 1 calc R U . . .
C8 C 0.4305(5) 0.0959(3) 0.7555(3) 0.0265(9) Uani 1 1 d . . . . .
H8 H 0.3967 0.0468 0.7950 0.032 Uiso 1 1 calc R U . . .
C67 C 0.4641(4) 0.9106(3) 1.4625(3) 0.0241(7) Uani 1 1 d . . . . .
H67 H 0.4308 0.9512 1.5164 0.029 Uiso 1 1 calc R U . . .
C45 C 0.8210(4) 0.6092(3) 1.2822(3) 0.0159(7) Uani 1 1 d . . . . .
C30 C 0.0476(4) 0.3760(4) 0.4060(3) 0.0240(8) Uani 1 1 d . . . . .
H30 H 0.0579 0.4380 0.3786 0.029 Uiso 1 1 calc R U . . .
C52 C 0.3075(3) 0.4804(3) 1.2374(3) 0.0141(6) Uani 1 1 d . . . . .
H52A H 0.3026 0.5436 1.2997 0.017 Uiso 1 1 calc R U . . .
H52B H 0.2234 0.3983 1.2180 0.017 Uiso 1 1 calc R U . . .
C11 C 0.9286(3) 0.6664(3) 0.7993(3) 0.0158(6) Uani 1 1 d . . . . .
C31 C -0.0420(4) 0.2510(4) 0.3335(3) 0.0299(8) Uani 1 1 d . . . . .
H31 H -0.0927 0.2284 0.2568 0.036 Uiso 1 1 calc R U . . .
C39 C 0.4272(3) 0.2022(2) 1.1756(2) 0.0157(5) Uani 1 1 d . . . . .
C48 C 1.0241(3) 0.8633(3) 1.3888(3) 0.0244(7) Uani 1 1 d . . . . .
H48 H 1.0939 0.9493 1.4246 0.029 Uiso 1 1 calc R U . . .
C32 C -0.0578(4) 0.1599(3) 0.3715(3) 0.0271(7) Uani 1 1 d . . . . .
H32 H -0.1188 0.0747 0.3214 0.033 Uiso 1 1 calc R U . . .
C60 C -0.0862(4) 0.0701(3) 0.7883(3) 0.0353(8) Uani 1 1 d . . . . .
H60 H -0.1215 -0.0116 0.7332 0.042 Uiso 1 1 calc R U . . .
C49 C 0.9979(4) 0.7941(3) 1.4506(3) 0.0264(8) Uani 1 1 d . . . . .
H49 H 1.0487 0.8322 1.5296 0.032 Uiso 1 1 calc R U . . .
C19 C 0.4722(4) 0.7599(3) 0.7214(3) 0.0190(7) Uani 1 1 d . . . . .
H19 H 0.5615 0.8019 0.7024 0.023 Uiso 1 1 calc R U . . .
C6 C 0.3829(3) 0.1941(3) 0.6358(3) 0.0198(6) Uani 1 1 d . . . . .
H6 H 0.3155 0.2117 0.5930 0.024 Uiso 1 1 calc R U . . .
C41 C 0.4810(4) 0.1097(3) 1.3010(3) 0.0224(7) Uani 1 1 d . . . . .
H41 H 0.5470 0.0870 1.3385 0.027 Uiso 1 1 calc R U . . .
C13 C 1.0794(3) 0.8641(3) 0.7987(3) 0.0239(6) Uani 1 1 d . . . . .
H13 H 1.1203 0.9106 0.7588 0.029 Uiso 1 1 calc R U . . .
C59 C -0.0921(4) 0.0886(3) 0.8943(4) 0.0399(9) Uani 1 1 d . . . . .
H59 H -0.1320 0.0192 0.9121 0.048 Uiso 1 1 calc R U . . .
C65 C 0.6607(4) 0.8782(3) 1.4114(3) 0.0268(7) Uani 1 1 d . . . . .
H65 H 0.7624 0.8955 1.4308 0.032 Uiso 1 1 calc R U . . .
C20 C 0.3410(4) 0.7705(3) 0.6539(3) 0.0280(7) Uani 1 1 d . . . . .
H20A H 0.2926 0.8013 0.7048 0.034 Uiso 1 1 calc R U . . .
H20B H 0.3799 0.8313 0.6219 0.034 Uiso 1 1 calc R U . . .
C44 C 0.2881(3) 0.1728(3) 1.1889(3) 0.0209(6) Uani 1 1 d . . . . .
H44 H 0.2204 0.1928 1.1497 0.025 Uiso 1 1 calc R U . . .
C58 C -0.0401(3) 0.2077(3) 0.9751(3) 0.0285(7) Uani 1 1 d . . . . .
H58 H -0.0457 0.2192 1.0477 0.034 Uiso 1 1 calc R U . . .
C62 C 0.0250(3) 0.2910(3) 0.8445(3) 0.0220(6) Uani 1 1 d . . . . .
H62 H 0.0652 0.3601 0.8263 0.026 Uiso 1 1 calc R U . . .
C33 C 0.0157(4) 0.1930(3) 0.4834(3) 0.0248(7) Uani 1 1 d . . . . .
H33 H 0.0051 0.1302 0.5100 0.030 Uiso 1 1 calc R U . . .
C24 C 0.6509(3) 0.8301(3) 0.9142(3) 0.0231(6) Uani 1 1 d . . . . .
H24 H 0.7130 0.8065 0.8784 0.028 Uiso 1 1 calc R U . . .
C46 C 0.8470(4) 0.6804(3) 1.2207(3) 0.0193(7) Uani 1 1 d . . . . .
H46 H 0.7954 0.6423 1.1419 0.023 Uiso 1 1 calc R U . . .
C64 C 0.5614(3) 0.7954(3) 1.3047(3) 0.0221(6) Uani 1 1 d . . . . .
H64 H 0.5961 0.7569 1.2507 0.027 Uiso 1 1 calc R U . . .
C21 C 0.2263(3) 0.6450(3) 0.5594(3) 0.0204(6) Uani 1 1 d . . . . .
H21A H 0.1274 0.6425 0.5384 0.024 Uiso 1 1 calc R U . . .
H21B H 0.2565 0.6308 0.4923 0.024 Uiso 1 1 calc R U . . .
C1 C 0.5823(3) 0.3265(3) 0.5821(2) 0.0161(5) Uani 1 1 d . . . . .
H1 H 0.4989 0.2972 0.5113 0.019 Uiso 1 1 calc R U . . .
C12 C 0.9929(3) 0.7359(3) 0.7432(3) 0.0192(6) Uani 1 1 d . . . . .
H12 H 0.9772 0.6950 0.6660 0.023 Uiso 1 1 calc R U . . .
C36 C 0.5980(3) 0.2649(3) 1.0608(3) 0.0199(6) Uani 1 1 d . . . . .
H36A H 0.5786 0.2592 0.9832 0.024 Uiso 1 1 calc R U . . .
H36B H 0.6100 0.1916 1.0612 0.024 Uiso 1 1 calc R U . . .
C7 C 0.3324(4) 0.1216(3) 0.6923(3) 0.0261(8) Uani 1 1 d . . . . .
H7 H 0.2311 0.0895 0.6880 0.031 Uiso 1 1 calc R U . . .
C3 C 0.8667(3) 0.4516(3) 0.6483(3) 0.0206(6) Uani 1 1 d . . . . .
H3A H 0.9311 0.4214 0.6824 0.025 Uiso 1 1 calc R U . . .
H3B H 0.9234 0.5054 0.6158 0.025 Uiso 1 1 calc R U . . .
C28 C 0.4298(3) 0.8518(3) 0.9041(3) 0.0222(6) Uani 1 1 d . . . . .
H28 H 0.3379 0.8429 0.8618 0.027 Uiso 1 1 calc R U . . .
C61 C -0.0288(4) 0.1707(3) 0.7631(3) 0.0296(7) Uani 1 1 d . . . . .
H61 H -0.0258 0.1585 0.6898 0.035 Uiso 1 1 calc R U . . .
C51 C 0.4549(4) 0.4779(3) 1.2739(3) 0.0150(7) Uani 1 1 d . . . . .
H51A H 0.4436 0.4182 1.3087 0.018 Uiso 1 1 calc R U . . .
H51B H 0.5323 0.5613 1.3310 0.018 Uiso 1 1 calc R U . . .
C14 C 1.1065(4) 0.9244(3) 0.9120(3) 0.0263(7) Uani 1 1 d . . . . .
H14 H 1.1677 1.0119 0.9506 0.032 Uiso 1 1 calc R U . . .
C68 C 0.3631(3) 0.8251(3) 1.3552(2) 0.0191(6) Uani 1 1 d . . . . .
H68 H 0.2609 0.8065 1.3370 0.023 Uiso 1 1 calc R U . . .
C23 C 0.5177(3) 0.8169(2) 0.8486(2) 0.0175(6) Uani 1 1 d . . . . .
C55 C 0.1441(3) 0.6570(3) 1.1228(3) 0.0206(6) Uani 1 1 d . . . . .
H55A H 0.1043 0.6494 1.1835 0.025 Uiso 1 1 calc R U . . .
H55B H 0.1401 0.7282 1.1098 0.025 Uiso 1 1 calc R U . . .
C66 C 0.6117(5) 0.9366(4) 1.4910(3) 0.0270(9) Uani 1 1 d . . . . .
H66 H 0.6800 0.9941 1.5646 0.032 Uiso 1 1 calc R U . . .
C37 C 0.7448(3) 0.3852(3) 1.1407(3) 0.0193(6) Uani 1 1 d . . . . .
H37A H 0.8159 0.3638 1.1801 0.023 Uiso 1 1 calc R U . . .
H37B H 0.7916 0.4276 1.0965 0.023 Uiso 1 1 calc R U . . .
C5 C 0.5306(3) 0.2418(2) 0.6403(2) 0.0176(6) Uani 1 1 d . . . . .
C25 C 0.6941(4) 0.8768(3) 1.0299(3) 0.0319(8) Uani 1 1 d . . . . .
H25 H 0.7852 0.8849 1.0726 0.038 Uiso 1 1 calc R U . . .
C15 C 1.0438(3) 0.8564(3) 0.9684(3) 0.0249(7) Uani 1 1 d . . . . .
H15 H 1.0621 0.8974 1.0461 0.030 Uiso 1 1 calc R U . . .
C40 C 0.5232(3) 0.1711(3) 1.2334(2) 0.0185(6) Uani 1 1 d . . . . .
H40 H 0.6190 0.1919 1.2269 0.022 Uiso 1 1 calc R U . . .
C43 C 0.2479(4) 0.1145(3) 1.2588(3) 0.0246(7) Uani 1 1 d . . . . .
H43 H 0.1545 0.0972 1.2688 0.029 Uiso 1 1 calc R U . . .
C63 C 0.4102(3) 0.7667(3) 1.2741(2) 0.0159(5) Uani 1 1 d . . . . .
C56 C 0.3061(3) 0.6774(3) 1.1561(2) 0.0158(5) Uani 1 1 d . . . . .
H56 H 0.3503 0.7117 1.1057 0.019 Uiso 1 1 calc R U . . .
C54 C 0.0520(3) 0.5375(3) 1.0154(2) 0.0183(6) Uani 1 1 d . . . . .
H54A H 0.0833 0.5477 0.9519 0.022 Uiso 1 1 calc R U . . .
H54B H -0.0557 0.5139 0.9957 0.022 Uiso 1 1 calc R U . . .


_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
Rh01 P3 2.1640(9) . ?
Rh01 P4 2.1655(9) . ?
Rh01 Cl1 2.4291(9) . ?
Rh01 Cl2 2.4380(9) . ?
Rh02 P2 2.1533(10) . ?
Rh02 P1 2.1595(9) . ?
Rh02 Cl1 2.4168(9) . ?
Rh02 Cl2 2.4334(9) . ?
P3 C51 1.840(3) . ?
P3 C38 1.850(3) . ?
P3 C35 1.872(4) . ?
P4 C52 1.849(3) . ?
P4 C56 1.872(3) . ?
P4 C53 1.878(3) . ?
P1 C17 1.847(3) . ?
P1 C4 1.852(3) . ?
P1 C1 1.865(3) . ?
P2 C18 1.838(3) . ?
P2 C22 1.862(3) . ?
P2 C19 1.877(4) . ?
C42 C41 1.379(5) . ?
C42 C43 1.383(5) . ?
C42 H42 0.9500 . ?
C18 C17 1.522(4) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C38 C45 1.510(5) . ?
C38 C37 1.537(4) . ?
C38 H38 1.0000 . ?
C35 C39 1.513(4) . ?
C35 C36 1.550(4) . ?
C35 H35 1.0000 . ?
C29 C34 1.396(5) . ?
C29 C30 1.403(5) . ?
C29 C22 1.509(5) . ?
C34 C33 1.386(5) . ?
C34 H34 0.9500 . ?
C26 C27 1.370(5) . ?
C26 C25 1.393(5) . ?
C26 H26 0.9500 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C4 C11 1.505(4) . ?
C4 C3 1.538(4) . ?
C4 H4 1.0000 . ?
C16 C15 1.386(4) . ?
C16 C11 1.391(4) . ?
C16 H16 0.9500 . ?
C9 C8 1.387(5) . ?
C9 C10 1.388(4) . ?
C9 H9 0.9500 . ?
C57 C62 1.380(5) . ?
C57 C58 1.391(4) . ?
C57 C53 1.504(4) . ?
C47 C46 1.387(4) . ?
C47 C48 1.396(5) . ?
C47 H47 0.9500 . ?
C27 C28 1.399(5) . ?
C27 H27 0.9500 . ?
C10 C5 1.388(4) . ?
C10 H10 0.9500 . ?
C2 C1 1.544(4) . ?
C2 C3 1.550(4) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C50 C45 1.384(5) . ?
C50 C49 1.392(5) . ?
C50 H50 0.9500 . ?
C22 C21 1.519(4) . ?
C22 H22 1.0000 . ?
C53 C54 1.534(4) . ?
C53 H53 1.0000 . ?
C8 C7 1.390(5) . ?
C8 H8 0.9500 . ?
C67 C66 1.375(5) . ?
C67 C68 1.392(4) . ?
C67 H67 0.9500 . ?
C45 C46 1.389(5) . ?
C30 C31 1.391(5) . ?
C30 H30 0.9500 . ?
C52 C51 1.520(4) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C11 C12 1.394(4) . ?
C31 C32 1.374(5) . ?
C31 H31 0.9500 . ?
C39 C40 1.387(4) . ?
C39 C44 1.400(4) . ?
C48 C49 1.374(5) . ?
C48 H48 0.9500 . ?
C32 C33 1.385(5) . ?
C32 H32 0.9500 . ?
C60 C61 1.373(5) . ?
C60 C59 1.378(6) . ?
C60 H60 0.9500 . ?
C49 H49 0.9500 . ?
C19 C23 1.520(4) . ?
C19 C20 1.551(5) . ?
C19 H19 1.0000 . ?
C6 C7 1.383(5) . ?
C6 C5 1.392(4) . ?
C6 H6 0.9500 . ?
C41 C40 1.395(4) . ?
C41 H41 0.9500 . ?
C13 C14 1.385(5) . ?
C13 C12 1.388(4) . ?
C13 H13 0.9500 . ?
C59 C58 1.386(5) . ?
C59 H59 0.9500 . ?
C65 C64 1.376(4) . ?
C65 C66 1.394(5) . ?
C65 H65 0.9500 . ?
C20 C21 1.522(4) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C44 C43 1.392(4) . ?
C44 H44 0.9500 . ?
C58 H58 0.9500 . ?
C62 C61 1.396(4) . ?
C62 H62 0.9500 . ?
C33 H33 0.9500 . ?
C24 C25 1.381(5) . ?
C24 C23 1.397(4) . ?
C24 H24 0.9500 . ?
C46 H46 0.9500 . ?
C64 C63 1.402(4) . ?
C64 H64 0.9500 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C1 C5 1.516(4) . ?
C1 H1 1.0000 . ?
C12 H12 0.9500 . ?
C36 C37 1.553(4) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C7 H7 0.9500 . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C28 C23 1.388(4) . ?
C28 H28 0.9500 . ?
C61 H61 0.9500 . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C14 C15 1.379(5) . ?
C14 H14 0.9500 . ?
C68 C63 1.393(4) . ?
C68 H68 0.9500 . ?
C55 C54 1.526(4) . ?
C55 C56 1.540(4) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C66 H66 0.9500 . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C25 H25 0.9500 . ?
C15 H15 0.9500 . ?
C40 H40 0.9500 . ?
C43 H43 0.9500 . ?
C63 C56 1.503(4) . ?
C56 H56 1.0000 . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?

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
P3 Rh01 P4 85.16(4) . . ?
P3 Rh01 Cl1 176.24(3) . . ?
P4 Rh01 Cl1 91.58(3) . . ?
P3 Rh01 Cl2 98.51(3) . . ?
P4 Rh01 Cl2 176.11(3) . . ?
Cl1 Rh01 Cl2 84.79(3) . . ?
P2 Rh02 P1 85.45(4) . . ?
P2 Rh02 Cl1 93.21(3) . . ?
P1 Rh02 Cl1 176.85(4) . . ?
P2 Rh02 Cl2 173.64(3) . . ?
P1 Rh02 Cl2 96.49(3) . . ?
Cl1 Rh02 Cl2 85.15(3) . . ?
Rh02 Cl1 Rh01 95.33(3) . . ?
C51 P3 C38 100.65(16) . . ?
C51 P3 C35 111.47(16) . . ?
C38 P3 C35 90.59(15) . . ?
C51 P3 Rh01 112.07(12) . . ?
C38 P3 Rh01 126.56(12) . . ?
C35 P3 Rh01 113.33(12) . . ?
C52 P4 C56 109.19(14) . . ?
C52 P4 C53 101.34(15) . . ?
C56 P4 C53 93.01(14) . . ?
C52 P4 Rh01 114.01(11) . . ?
C56 P4 Rh01 114.11(9) . . ?
C53 P4 Rh01 122.66(11) . . ?
C17 P1 C4 105.23(16) . . ?
C17 P1 C1 102.98(15) . . ?
C4 P1 C1 92.33(13) . . ?
C17 P1 Rh02 111.41(11) . . ?
C4 P1 Rh02 121.05(11) . . ?
C1 P1 Rh02 120.88(10) . . ?
C18 P2 C22 102.54(16) . . ?
C18 P2 C19 104.25(16) . . ?
C22 P2 C19 91.84(17) . . ?
C18 P2 Rh02 112.55(12) . . ?
C22 P2 Rh02 124.19(12) . . ?
C19 P2 Rh02 118.06(12) . . ?
Rh02 Cl2 Rh01 94.68(3) . . ?
C41 C42 C43 119.7(3) . . ?
C41 C42 H42 120.2 . . ?
C43 C42 H42 120.2 . . ?
C17 C18 P2 108.2(2) . . ?
C17 C18 H18A 110.1 . . ?
P2 C18 H18A 110.1 . . ?
C17 C18 H18B 110.1 . . ?
P2 C18 H18B 110.1 . . ?
H18A C18 H18B 108.4 . . ?
C45 C38 C37 117.4(3) . . ?
C45 C38 P3 116.2(2) . . ?
C37 C38 P3 104.0(2) . . ?
C45 C38 H38 106.1 . . ?
C37 C38 H38 106.1 . . ?
P3 C38 H38 106.1 . . ?
C39 C35 C36 117.0(3) . . ?
C39 C35 P3 114.7(2) . . ?
C36 C35 P3 100.7(2) . . ?
C39 C35 H35 108.0 . . ?
C36 C35 H35 108.0 . . ?
P3 C35 H35 108.0 . . ?
C34 C29 C30 118.2(3) . . ?
C34 C29 C22 119.9(3) . . ?
C30 C29 C22 121.8(3) . . ?
C33 C34 C29 120.8(3) . . ?
C33 C34 H34 119.6 . . ?
C29 C34 H34 119.6 . . ?
C27 C26 C25 118.7(3) . . ?
C27 C26 H26 120.6 . . ?
C25 C26 H26 120.6 . . ?
C18 C17 P1 108.5(2) . . ?
C18 C17 H17A 110.0 . . ?
P1 C17 H17A 110.0 . . ?
C18 C17 H17B 110.0 . . ?
P1 C17 H17B 110.0 . . ?
H17A C17 H17B 108.4 . . ?
C11 C4 C3 117.7(3) . . ?
C11 C4 P1 112.8(2) . . ?
C3 C4 P1 106.5(2) . . ?
C11 C4 H4 106.4 . . ?
C3 C4 H4 106.4 . . ?
P1 C4 H4 106.4 . . ?
C15 C16 C11 120.8(3) . . ?
C15 C16 H16 119.6 . . ?
C11 C16 H16 119.6 . . ?
C8 C9 C10 120.1(3) . . ?
C8 C9 H9 120.0 . . ?
C10 C9 H9 120.0 . . ?
C62 C57 C58 118.4(3) . . ?
C62 C57 C53 122.1(3) . . ?
C58 C57 C53 119.4(3) . . ?
C46 C47 C48 120.2(3) . . ?
C46 C47 H47 119.9 . . ?
C48 C47 H47 119.9 . . ?
C26 C27 C28 120.9(4) . . ?
C26 C27 H27 119.5 . . ?
C28 C27 H27 119.5 . . ?
C5 C10 C9 120.9(3) . . ?
C5 C10 H10 119.6 . . ?
C9 C10 H10 119.6 . . ?
C1 C2 C3 111.5(2) . . ?
C1 C2 H2A 109.3 . . ?
C3 C2 H2A 109.3 . . ?
C1 C2 H2B 109.3 . . ?
C3 C2 H2B 109.3 . . ?
H2A C2 H2B 108.0 . . ?
C45 C50 C49 121.7(3) . . ?
C45 C50 H50 119.2 . . ?
C49 C50 H50 119.2 . . ?
C29 C22 C21 118.4(3) . . ?
C29 C22 P2 114.3(2) . . ?
C21 C22 P2 102.7(2) . . ?
C29 C22 H22 106.9 . . ?
C21 C22 H22 106.9 . . ?
P2 C22 H22 106.9 . . ?
C57 C53 C54 119.5(3) . . ?
C57 C53 P4 114.3(2) . . ?
C54 C53 P4 104.2(2) . . ?
C57 C53 H53 105.9 . . ?
C54 C53 H53 105.9 . . ?
P4 C53 H53 105.9 . . ?
C9 C8 C7 119.7(3) . . ?
C9 C8 H8 120.2 . . ?
C7 C8 H8 120.2 . . ?
C66 C67 C68 120.3(3) . . ?
C66 C67 H67 119.8 . . ?
C68 C67 H67 119.8 . . ?
C50 C45 C46 118.1(3) . . ?
C50 C45 C38 120.4(3) . . ?
C46 C45 C38 121.5(3) . . ?
C31 C30 C29 120.3(4) . . ?
C31 C30 H30 119.8 . . ?
C29 C30 H30 119.8 . . ?
C51 C52 P4 109.5(2) . . ?
C51 C52 H52A 109.8 . . ?
P4 C52 H52A 109.8 . . ?
C51 C52 H52B 109.8 . . ?
P4 C52 H52B 109.8 . . ?
H52A C52 H52B 108.2 . . ?
C16 C11 C12 118.2(3) . . ?
C16 C11 C4 119.6(3) . . ?
C12 C11 C4 122.1(3) . . ?
C32 C31 C30 120.7(3) . . ?
C32 C31 H31 119.6 . . ?
C30 C31 H31 119.6 . . ?
C40 C39 C44 118.2(3) . . ?
C40 C39 C35 123.5(3) . . ?
C44 C39 C35 118.3(3) . . ?
C49 C48 C47 119.5(3) . . ?
C49 C48 H48 120.3 . . ?
C47 C48 H48 120.3 . . ?
C31 C32 C33 119.6(3) . . ?
C31 C32 H32 120.2 . . ?
C33 C32 H32 120.2 . . ?
C61 C60 C59 119.4(3) . . ?
C61 C60 H60 120.3 . . ?
C59 C60 H60 120.3 . . ?
C48 C49 C50 119.8(3) . . ?
C48 C49 H49 120.1 . . ?
C50 C49 H49 120.1 . . ?
C23 C19 C20 116.8(3) . . ?
C23 C19 P2 111.1(2) . . ?
C20 C19 P2 106.2(2) . . ?
C23 C19 H19 107.4 . . ?
C20 C19 H19 107.4 . . ?
P2 C19 H19 107.4 . . ?
C7 C6 C5 121.2(3) . . ?
C7 C6 H6 119.4 . . ?
C5 C6 H6 119.4 . . ?
C42 C41 C40 120.3(3) . . ?
C42 C41 H41 119.8 . . ?
C40 C41 H41 119.8 . . ?
C14 C13 C12 120.1(3) . . ?
C14 C13 H13 119.9 . . ?
C12 C13 H13 119.9 . . ?
C60 C59 C58 120.4(3) . . ?
C60 C59 H59 119.8 . . ?
C58 C59 H59 119.8 . . ?
C64 C65 C66 119.9(3) . . ?
C64 C65 H65 120.0 . . ?
C66 C65 H65 120.0 . . ?
C21 C20 C19 110.8(3) . . ?
C21 C20 H20A 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C21 C20 H20B 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 108.1 . . ?
C43 C44 C39 120.8(3) . . ?
C43 C44 H44 119.6 . . ?
C39 C44 H44 119.6 . . ?
C59 C58 C57 120.7(3) . . ?
C59 C58 H58 119.7 . . ?
C57 C58 H58 119.7 . . ?
C57 C62 C61 120.6(3) . . ?
C57 C62 H62 119.7 . . ?
C61 C62 H62 119.7 . . ?
C32 C33 C34 120.4(3) . . ?
C32 C33 H33 119.8 . . ?
C34 C33 H33 119.8 . . ?
C25 C24 C23 121.3(3) . . ?
C25 C24 H24 119.3 . . ?
C23 C24 H24 119.3 . . ?
C47 C46 C45 120.8(3) . . ?
C47 C46 H46 119.6 . . ?
C45 C46 H46 119.6 . . ?
C65 C64 C63 121.3(3) . . ?
C65 C64 H64 119.3 . . ?
C63 C64 H64 119.3 . . ?
C22 C21 C20 107.7(3) . . ?
C22 C21 H21A 110.2 . . ?
C20 C21 H21A 110.2 . . ?
C22 C21 H21B 110.2 . . ?
C20 C21 H21B 110.2 . . ?
H21A C21 H21B 108.5 . . ?
C5 C1 C2 116.4(2) . . ?
C5 C1 P1 109.07(19) . . ?
C2 C1 P1 104.72(19) . . ?
C5 C1 H1 108.8 . . ?
C2 C1 H1 108.8 . . ?
P1 C1 H1 108.8 . . ?
C13 C12 C11 120.9(3) . . ?
C13 C12 H12 119.6 . . ?
C11 C12 H12 119.6 . . ?
C35 C36 C37 111.7(2) . . ?
C35 C36 H36A 109.3 . . ?
C37 C36 H36A 109.3 . . ?
C35 C36 H36B 109.3 . . ?
C37 C36 H36B 109.3 . . ?
H36A C36 H36B 107.9 . . ?
C6 C7 C8 119.8(3) . . ?
C6 C7 H7 120.1 . . ?
C8 C7 H7 120.1 . . ?
C4 C3 C2 111.4(2) . . ?
C4 C3 H3A 109.3 . . ?
C2 C3 H3A 109.3 . . ?
C4 C3 H3B 109.3 . . ?
C2 C3 H3B 109.3 . . ?
H3A C3 H3B 108.0 . . ?
C23 C28 C27 120.9(3) . . ?
C23 C28 H28 119.5 . . ?
C27 C28 H28 119.5 . . ?
C60 C61 C62 120.4(3) . . ?
C60 C61 H61 119.8 . . ?
C62 C61 H61 119.8 . . ?
C52 C51 P3 111.0(2) . . ?
C52 C51 H51A 109.4 . . ?
P3 C51 H51A 109.4 . . ?
C52 C51 H51B 109.4 . . ?
P3 C51 H51B 109.4 . . ?
H51A C51 H51B 108.0 . . ?
C15 C14 C13 119.5(3) . . ?
C15 C14 H14 120.3 . . ?
C13 C14 H14 120.3 . . ?
C67 C68 C63 120.8(3) . . ?
C67 C68 H68 119.6 . . ?
C63 C68 H68 119.6 . . ?
C28 C23 C24 117.5(3) . . ?
C28 C23 C19 123.3(3) . . ?
C24 C23 C19 119.1(3) . . ?
C54 C55 C56 107.4(2) . . ?
C54 C55 H55A 110.2 . . ?
C56 C55 H55A 110.2 . . ?
C54 C55 H55B 110.2 . . ?
C56 C55 H55B 110.2 . . ?
H55A C55 H55B 108.5 . . ?
C67 C66 C65 119.7(3) . . ?
C67 C66 H66 120.1 . . ?
C65 C66 H66 120.1 . . ?
C38 C37 C36 109.6(2) . . ?
C38 C37 H37A 109.8 . . ?
C36 C37 H37A 109.8 . . ?
C38 C37 H37B 109.8 . . ?
C36 C37 H37B 109.8 . . ?
H37A C37 H37B 108.2 . . ?
C10 C5 C6 118.4(3) . . ?
C10 C5 C1 122.4(3) . . ?
C6 C5 C1 119.1(3) . . ?
C24 C25 C26 120.6(3) . . ?
C24 C25 H25 119.7 . . ?
C26 C25 H25 119.7 . . ?
C14 C15 C16 120.5(3) . . ?
C14 C15 H15 119.8 . . ?
C16 C15 H15 119.8 . . ?
C39 C40 C41 120.8(3) . . ?
C39 C40 H40 119.6 . . ?
C41 C40 H40 119.6 . . ?
C42 C43 C44 120.1(3) . . ?
C42 C43 H43 120.0 . . ?
C44 C43 H43 120.0 . . ?
C68 C63 C64 117.9(3) . . ?
C68 C63 C56 122.5(3) . . ?
C64 C63 C56 119.6(2) . . ?
C63 C56 C55 118.0(2) . . ?
C63 C56 P4 113.9(2) . . ?
C55 C56 P4 105.67(19) . . ?
C63 C56 H56 106.2 . . ?
C55 C56 H56 106.2 . . ?
P4 C56 H56 106.2 . . ?
C55 C54 C53 104.9(2) . . ?
C55 C54 H54A 110.8 . . ?
C53 C54 H54A 110.8 . . ?
C55 C54 H54B 110.8 . . ?
C53 C54 H54B 110.8 . . ?
H54A C54 H54B 108.8 . . ?

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
C22 P2 C18 C17 -167.1(2) . . . . ?
C19 P2 C18 C17 97.7(3) . . . . ?
Rh02 P2 C18 C17 -31.4(3) . . . . ?
C51 P3 C38 C45 -75.3(3) . . . . ?
C35 P3 C38 C45 172.7(3) . . . . ?
Rh01 P3 C38 C45 52.6(3) . . . . ?
C51 P3 C38 C37 154.0(2) . . . . ?
C35 P3 C38 C37 42.0(2) . . . . ?
Rh01 P3 C38 C37 -78.1(2) . . . . ?
C51 P3 C35 C39 -18.3(3) . . . . ?
C38 P3 C35 C39 83.4(3) . . . . ?
Rh01 P3 C35 C39 -145.8(2) . . . . ?
C51 P3 C35 C36 -144.8(2) . . . . ?
C38 P3 C35 C36 -43.1(2) . . . . ?
Rh01 P3 C35 C36 87.6(2) . . . . ?
C30 C29 C34 C33 0.6(5) . . . . ?
C22 C29 C34 C33 179.0(3) . . . . ?
P2 C18 C17 P1 39.3(3) . . . . ?
C4 P1 C17 C18 -167.3(2) . . . . ?
C1 P1 C17 C18 96.6(2) . . . . ?
Rh02 P1 C17 C18 -34.4(2) . . . . ?
C17 P1 C4 C11 57.7(3) . . . . ?
C1 P1 C4 C11 161.8(2) . . . . ?
Rh02 P1 C4 C11 -69.6(3) . . . . ?
C17 P1 C4 C3 -72.9(2) . . . . ?
C1 P1 C4 C3 31.2(2) . . . . ?
Rh02 P1 C4 C3 159.85(17) . . . . ?
C25 C26 C27 C28 0.7(6) . . . . ?
C8 C9 C10 C5 -0.2(4) . . . . ?
C34 C29 C22 C21 -175.6(3) . . . . ?
C30 C29 C22 C21 2.8(5) . . . . ?
C34 C29 C22 P2 63.2(4) . . . . ?
C30 C29 C22 P2 -118.5(3) . . . . ?
C18 P2 C22 C29 62.0(3) . . . . ?
C19 P2 C22 C29 167.0(3) . . . . ?
Rh02 P2 C22 C29 -66.7(3) . . . . ?
C18 P2 C22 C21 -67.5(2) . . . . ?
C19 P2 C22 C21 37.5(2) . . . . ?
Rh02 P2 C22 C21 163.72(15) . . . . ?
C62 C57 C53 C54 44.2(4) . . . . ?
C58 C57 C53 C54 -138.2(3) . . . . ?
C62 C57 C53 P4 -80.3(3) . . . . ?
C58 C57 C53 P4 97.3(3) . . . . ?
C52 P4 C53 C57 -95.1(2) . . . . ?
C56 P4 C53 C57 154.7(2) . . . . ?
Rh01 P4 C53 C57 33.4(3) . . . . ?
C52 P4 C53 C54 132.7(2) . . . . ?
C56 P4 C53 C54 22.4(2) . . . . ?
Rh01 P4 C53 C54 -98.90(19) . . . . ?
C10 C9 C8 C7 0.5(5) . . . . ?
C49 C50 C45 C46 -1.0(5) . . . . ?
C49 C50 C45 C38 -179.2(3) . . . . ?
C37 C38 C45 C50 -117.1(4) . . . . ?
P3 C38 C45 C50 118.9(3) . . . . ?
C37 C38 C45 C46 64.8(4) . . . . ?
P3 C38 C45 C46 -59.2(4) . . . . ?
C34 C29 C30 C31 -0.3(5) . . . . ?
C22 C29 C30 C31 -178.6(3) . . . . ?
C56 P4 C52 C51 -110.5(2) . . . . ?
C53 P4 C52 C51 152.2(2) . . . . ?
Rh01 P4 C52 C51 18.4(3) . . . . ?
C15 C16 C11 C12 -1.1(4) . . . . ?
C15 C16 C11 C4 -178.4(3) . . . . ?
C3 C4 C11 C16 -145.2(3) . . . . ?
P1 C4 C11 C16 90.1(3) . . . . ?
C3 C4 C11 C12 37.5(4) . . . . ?
P1 C4 C11 C12 -87.1(3) . . . . ?
C29 C30 C31 C32 -0.2(6) . . . . ?
C36 C35 C39 C40 12.7(4) . . . . ?
P3 C35 C39 C40 -105.0(3) . . . . ?
C36 C35 C39 C44 -165.4(3) . . . . ?
P3 C35 C39 C44 76.9(3) . . . . ?
C46 C47 C48 C49 -0.9(5) . . . . ?
C30 C31 C32 C33 0.3(6) . . . . ?
C47 C48 C49 C50 0.7(5) . . . . ?
C45 C50 C49 C48 0.3(6) . . . . ?
C18 P2 C19 C23 -146.7(2) . . . . ?
C22 P2 C19 C23 109.9(3) . . . . ?
Rh02 P2 C19 C23 -21.0(3) . . . . ?
C18 P2 C19 C20 85.3(3) . . . . ?
C22 P2 C19 C20 -18.2(2) . . . . ?
Rh02 P2 C19 C20 -149.02(18) . . . . ?
C43 C42 C41 C40 0.2(5) . . . . ?
C61 C60 C59 C58 -0.2(6) . . . . ?
C23 C19 C20 C21 -131.0(3) . . . . ?
P2 C19 C20 C21 -6.5(3) . . . . ?
C40 C39 C44 C43 0.4(4) . . . . ?
C35 C39 C44 C43 178.6(3) . . . . ?
C60 C59 C58 C57 -0.7(5) . . . . ?
C62 C57 C58 C59 1.0(5) . . . . ?
C53 C57 C58 C59 -176.7(3) . . . . ?
C58 C57 C62 C61 -0.4(5) . . . . ?
C53 C57 C62 C61 177.2(3) . . . . ?
C31 C32 C33 C34 0.1(5) . . . . ?
C29 C34 C33 C32 -0.6(5) . . . . ?
C48 C47 C46 C45 0.2(5) . . . . ?
C50 C45 C46 C47 0.8(5) . . . . ?
C38 C45 C46 C47 178.9(3) . . . . ?
C66 C65 C64 C63 -0.9(5) . . . . ?
C29 C22 C21 C20 -174.3(3) . . . . ?
P2 C22 C21 C20 -47.3(3) . . . . ?
C19 C20 C21 C22 35.6(3) . . . . ?
C3 C2 C1 C5 -92.9(3) . . . . ?
C3 C2 C1 P1 27.6(3) . . . . ?
C17 P1 C1 C5 -162.4(2) . . . . ?
C4 P1 C1 C5 91.4(2) . . . . ?
Rh02 P1 C1 C5 -37.3(2) . . . . ?
C17 P1 C1 C2 72.4(2) . . . . ?
C4 P1 C1 C2 -33.8(2) . . . . ?
Rh02 P1 C1 C2 -162.59(16) . . . . ?
C14 C13 C12 C11 1.8(4) . . . . ?
C16 C11 C12 C13 -0.5(4) . . . . ?
C4 C11 C12 C13 176.8(3) . . . . ?
C39 C35 C36 C37 -91.4(3) . . . . ?
P3 C35 C36 C37 33.6(3) . . . . ?
C5 C6 C7 C8 0.3(5) . . . . ?
C9 C8 C7 C6 -0.5(5) . . . . ?
C11 C4 C3 C2 -147.4(3) . . . . ?
P1 C4 C3 C2 -19.7(3) . . . . ?
C1 C2 C3 C4 -5.5(4) . . . . ?
C26 C27 C28 C23 -1.1(5) . . . . ?
C59 C60 C61 C62 0.8(5) . . . . ?
C57 C62 C61 C60 -0.5(5) . . . . ?
P4 C52 C51 P3 -29.3(3) . . . . ?
C38 P3 C51 C52 167.6(2) . . . . ?
C35 P3 C51 C52 -97.6(3) . . . . ?
Rh01 P3 C51 C52 30.7(3) . . . . ?
C12 C13 C14 C15 -1.5(5) . . . . ?
C66 C67 C68 C63 -1.5(5) . . . . ?
C27 C28 C23 C24 0.8(4) . . . . ?
C27 C28 C23 C19 177.8(3) . . . . ?
C25 C24 C23 C28 -0.4(4) . . . . ?
C25 C24 C23 C19 -177.4(3) . . . . ?
C20 C19 C23 C28 14.6(4) . . . . ?
P2 C19 C23 C28 -107.5(3) . . . . ?
C20 C19 C23 C24 -168.5(3) . . . . ?
P2 C19 C23 C24 69.4(3) . . . . ?
C68 C67 C66 C65 0.9(6) . . . . ?
C64 C65 C66 C67 0.3(6) . . . . ?
C45 C38 C37 C36 -157.6(3) . . . . ?
P3 C38 C37 C36 -27.6(3) . . . . ?
C35 C36 C37 C38 -4.5(4) . . . . ?
C9 C10 C5 C6 0.0(4) . . . . ?
C9 C10 C5 C1 176.5(3) . . . . ?
C7 C6 C5 C10 0.0(4) . . . . ?
C7 C6 C5 C1 -176.7(3) . . . . ?
C2 C1 C5 C10 24.2(4) . . . . ?
P1 C1 C5 C10 -93.9(3) . . . . ?
C2 C1 C5 C6 -159.2(3) . . . . ?
P1 C1 C5 C6 82.6(3) . . . . ?
C23 C24 C25 C26 0.0(5) . . . . ?
C27 C26 C25 C24 -0.2(5) . . . . ?
C13 C14 C15 C16 0.0(5) . . . . ?
C11 C16 C15 C14 1.3(5) . . . . ?
C44 C39 C40 C41 1.4(4) . . . . ?
C35 C39 C40 C41 -176.7(3) . . . . ?
C42 C41 C40 C39 -1.7(5) . . . . ?
C41 C42 C43 C44 1.6(5) . . . . ?
C39 C44 C43 C42 -1.8(5) . . . . ?
C67 C68 C63 C64 0.9(4) . . . . ?
C67 C68 C63 C56 -177.7(3) . . . . ?
C65 C64 C63 C68 0.3(4) . . . . ?
C65 C64 C63 C56 179.0(3) . . . . ?
C68 C63 C56 C55 3.9(4) . . . . ?
C64 C63 C56 C55 -174.7(3) . . . . ?
C68 C63 C56 P4 -120.9(3) . . . . ?
C64 C63 C56 P4 60.5(3) . . . . ?
C54 C55 C56 C63 -163.1(2) . . . . ?
C54 C55 C56 P4 -34.4(3) . . . . ?
C52 P4 C56 C63 34.4(2) . . . . ?
C53 P4 C56 C63 137.5(2) . . . . ?
Rh01 P4 C56 C63 -94.52(19) . . . . ?
C52 P4 C56 C55 -96.7(2) . . . . ?
C53 P4 C56 C55 6.4(2) . . . . ?
Rh01 P4 C56 C55 134.38(17) . . . . ?
C56 C55 C54 C53 53.0(3) . . . . ?
C57 C53 C54 C55 -174.8(2) . . . . ?
P4 C53 C54 C55 -45.6(2) . . . . ?

_refine_diff_density_max         0.597
_refine_diff_density_min         -0.438
_refine_diff_density_rms         0.054


_chemical_properties_physical    Air-sensitive,Moisture-sensitive,Hygroscopic
####################################################################### 
# 
# 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_bv091616
_database_code_depnum_ccdc_archive 'CCDC 2166334'
loop_
_audit_author_name
_audit_author_address
'Kangsang Lee'
;University of Central Florida
United States of America
;
_audit_update_record             
;
2022-04-13 deposited with the CCDC.	2022-08-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C68 H72 P4 Rh2'
_chemical_formula_weight         1218.95

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'
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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_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'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'

_cell_length_a                   13.1998(4)
_cell_length_b                   18.0969(5)
_cell_length_c                   24.5076(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5854.3(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    4346
_cell_measurement_theta_min      2.27
_cell_measurement_theta_max      25.91

_exptl_crystal_description       plate
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.383
_exptl_crystal_F_000             2520
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.201
_exptl_crystal_size_mid          0.196
_exptl_crystal_size_min          0.064
_exptl_absorpt_coefficient_mu    0.714
_shelx_estimated_absorpt_T_min   0.870
_shelx_estimated_absorpt_T_max   0.956
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            27044
_diffrn_reflns_av_unetI/netI     0.1429
_diffrn_reflns_av_R_equivalents  0.0670
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.399
_diffrn_reflns_theta_max         26.380
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             11938
_reflns_number_gt                7779
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.814
_reflns_Friedel_fraction_max     0.993
_reflns_Friedel_fraction_full    0.999

_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-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0483P)²] 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 2550 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   -0.02(2)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         11938
_refine_ls_number_parameters     667
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0841
_refine_ls_R_factor_gt           0.0427
_refine_ls_wR_factor_ref         0.0912
_refine_ls_wR_factor_gt          0.0776
_refine_ls_goodness_of_fit_ref   0.701
_refine_ls_restrained_S_all      0.701
_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 0.16657(5) 0.03758(3) 0.10878(2) 0.01478(14) Uani 1 1 d . . . . .
Rh2 Rh 0.16916(5) 0.08124(3) 0.21090(2) 0.01417(14) Uani 1 1 d . . . . .
P1 P 0.20034(15) 0.08865(10) 0.03039(8) 0.0157(5) Uani 1 1 d . . . . .
P2 P 0.16420(18) -0.06537(9) 0.06377(7) 0.0138(4) Uani 1 1 d . . . . .
P3 P 0.16118(18) 0.18599(9) 0.25414(7) 0.0153(4) Uani 1 1 d . . . . .
P4 P 0.18005(16) 0.03221(9) 0.29213(7) 0.0161(4) Uani 1 1 d . . . . .
C1 C 0.1145(6) 0.1651(4) 0.0073(3) 0.0218(19) Uani 1 1 d . . . . .
H1 H 0.0787 0.1822 0.0410 0.026 Uiso 1 1 calc R U . . .
C2 C 0.1841(7) 0.2302(4) -0.0096(3) 0.031(2) Uani 1 1 d . . . . .
H2A H 0.2047 0.2252 -0.0483 0.037 Uiso 1 1 calc R U . . .
H2B H 0.1484 0.2779 -0.0050 0.037 Uiso 1 1 calc R U . . .
C3 C 0.2775(6) 0.2265(4) 0.0281(3) 0.025(2) Uani 1 1 d . . . . .
H3A H 0.2585 0.2370 0.0664 0.030 Uiso 1 1 calc R U . . .
H3B H 0.3299 0.2623 0.0164 0.030 Uiso 1 1 calc R U . . .
C4 C 0.3164(6) 0.1461(4) 0.0219(3) 0.0204(18) Uani 1 1 d . . . . .
H4 H 0.3388 0.1402 -0.0168 0.024 Uiso 1 1 calc R U . . .
C5 C 0.4066(6) 0.1275(4) 0.0574(3) 0.0181(18) Uani 1 1 d . . . . .
C6 C 0.3979(6) 0.1221(4) 0.1137(3) 0.0220(18) Uani 1 1 d . . . . .
H6 H 0.3345 0.1312 0.1307 0.026 Uiso 1 1 calc R U . . .
C7 C 0.4811(7) 0.1033(4) 0.1451(3) 0.029(2) Uani 1 1 d . . . . .
H7 H 0.4741 0.0992 0.1836 0.034 Uiso 1 1 calc R U . . .
C8 C 0.5745(6) 0.0904(4) 0.1211(4) 0.027(2) Uani 1 1 d . . . . .
H8 H 0.6315 0.0777 0.1429 0.032 Uiso 1 1 calc R U . . .
C9 C 0.5836(6) 0.0965(4) 0.0653(4) 0.028(2) Uani 1 1 d . . . . .
H9 H 0.6476 0.0888 0.0485 0.033 Uiso 1 1 calc R U . . .
C10 C 0.5001(6) 0.1136(4) 0.0335(3) 0.0218(19) Uani 1 1 d . . . . .
H10 H 0.5068 0.1159 -0.0051 0.026 Uiso 1 1 calc R U . . .
C11 C 0.0320(6) 0.1435(4) -0.0319(3) 0.0202(18) Uani 1 1 d . . . . .
C12 C -0.0375(6) 0.0898(4) -0.0163(3) 0.0226(19) Uani 1 1 d . . . . .
H12 H -0.0320 0.0674 0.0186 0.027 Uiso 1 1 calc R U . . .
C13 C -0.1152(6) 0.0685(4) -0.0513(3) 0.028(2) Uani 1 1 d . . . . .
H13 H -0.1615 0.0311 -0.0404 0.034 Uiso 1 1 calc R U . . .
C14 C -0.1253(6) 0.1018(4) -0.1022(3) 0.030(2) Uani 1 1 d . . . . .
H14 H -0.1788 0.0880 -0.1260 0.036 Uiso 1 1 calc R U . . .
C15 C -0.0567(7) 0.1551(4) -0.1175(3) 0.029(2) Uani 1 1 d . . . . .
H15 H -0.0625 0.1779 -0.1523 0.034 Uiso 1 1 calc R U . . .
C16 C 0.0209(6) 0.1758(4) -0.0826(3) 0.0227(19) Uani 1 1 d . . . . .
H16 H 0.0673 0.2129 -0.0938 0.027 Uiso 1 1 calc R U . . .
C17 C 0.2145(6) 0.0205(4) -0.0256(3) 0.0204(18) Uani 1 1 d . . . . .
H17A H 0.1844 0.0407 -0.0595 0.024 Uiso 1 1 calc R U . . .
H17B H 0.2873 0.0111 -0.0324 0.024 Uiso 1 1 calc R U . . .
C18 C 0.1614(7) -0.0522(3) -0.0104(3) 0.0181(16) Uani 1 1 d . . . . .
H18A H 0.1959 -0.0941 -0.0285 0.022 Uiso 1 1 calc R U . . .
H18B H 0.0902 -0.0509 -0.0232 0.022 Uiso 1 1 calc R U . . .
C19 C 0.2681(6) -0.1319(4) 0.0840(3) 0.0170(18) Uani 1 1 d . . . . .
H19 H 0.2997 -0.1102 0.1174 0.020 Uiso 1 1 calc R U . . .
C20 C 0.2149(6) -0.2035(4) 0.1032(3) 0.024(2) Uani 1 1 d . . . . .
H20A H 0.2132 -0.2401 0.0733 0.029 Uiso 1 1 calc R U . . .
H20B H 0.2520 -0.2253 0.1344 0.029 Uiso 1 1 calc R U . . .
C21 C 0.1063(6) -0.1826(4) 0.1205(3) 0.0210(19) Uani 1 1 d . . . . .
H21A H 0.0647 -0.2275 0.1258 0.025 Uiso 1 1 calc R U . . .
H21B H 0.1072 -0.1542 0.1550 0.025 Uiso 1 1 calc R U . . .
C22 C 0.0638(6) -0.1359(4) 0.0746(3) 0.0165(18) Uani 1 1 d . . . . .
H22 H 0.0627 -0.1677 0.0412 0.020 Uiso 1 1 calc R U . . .
C23 C -0.0420(6) -0.1053(4) 0.0814(3) 0.0173(18) Uani 1 1 d . . . . .
C24 C -0.0706(6) -0.0666(4) 0.1281(3) 0.025(2) Uani 1 1 d . . . . .
H24 H -0.0230 -0.0580 0.1565 0.031 Uiso 1 1 calc R U . . .
C25 C -0.1695(8) -0.0407(4) 0.1328(3) 0.0333(19) Uani 1 1 d . . . . .
H25 H -0.1890 -0.0150 0.1649 0.040 Uiso 1 1 calc R U . . .
C26 C -0.2397(7) -0.0513(4) 0.0921(4) 0.031(2) Uani 1 1 d . . . . .
H26 H -0.3068 -0.0331 0.0957 0.038 Uiso 1 1 calc R U . . .
C27 C -0.2099(7) -0.0892(4) 0.0456(4) 0.028(2) Uani 1 1 d . . . . .
H27 H -0.2576 -0.0973 0.0172 0.034 Uiso 1 1 calc R U . . .
C28 C -0.1127(7) -0.1154(4) 0.0398(4) 0.023(2) Uani 1 1 d . . . . .
H28 H -0.0936 -0.1404 0.0073 0.028 Uiso 1 1 calc R U . . .
C29 C 0.3515(5) -0.1377(4) 0.0435(3) 0.0145(17) Uani 1 1 d . . . . .
C30 C 0.4290(6) -0.0856(4) 0.0433(3) 0.0186(18) Uani 1 1 d . . . . .
H30 H 0.4286 -0.0474 0.0700 0.022 Uiso 1 1 calc R U . . .
C31 C 0.5064(6) -0.0878(4) 0.0056(3) 0.0229(18) Uani 1 1 d . . . . .
H31 H 0.5582 -0.0514 0.0065 0.027 Uiso 1 1 calc R U . . .
C32 C 0.5091(6) -0.1428(4) -0.0337(3) 0.0234(19) Uani 1 1 d . . . . .
H32 H 0.5630 -0.1449 -0.0593 0.028 Uiso 1 1 calc R U . . .
C33 C 0.4328(6) -0.1944(4) -0.0351(3) 0.0217(19) Uani 1 1 d . . . . .
H33 H 0.4336 -0.2320 -0.0621 0.026 Uiso 1 1 calc R U . . .
C34 C 0.3548(6) -0.1918(4) 0.0027(3) 0.0183(18) Uani 1 1 d . . . . .
H34 H 0.3023 -0.2276 0.0008 0.022 Uiso 1 1 calc R U . . .
C35 C 0.0753(6) 0.2626(4) 0.2318(3) 0.0194(19) Uani 1 1 d . . . . .
H35 H 0.0503 0.2871 0.2658 0.023 Uiso 1 1 calc R U . . .
C46 C -0.0125(7) 0.2239(5) 0.1447(4) 0.038(2) Uani 1 1 d . . . . .
H46 H 0.0503 0.2275 0.1260 0.046 Uiso 1 1 calc R U . . .
C36 C 0.1468(6) 0.3177(4) 0.2044(3) 0.028(2) Uani 1 1 d . . . . .
H36A H 0.1684 0.2990 0.1682 0.033 Uiso 1 1 calc R U . . .
H36B H 0.1127 0.3659 0.1993 0.033 Uiso 1 1 calc R U . . .
C37 C 0.2368(6) 0.3256(4) 0.2418(3) 0.023(2) Uani 1 1 d . . . . .
H37A H 0.2165 0.3509 0.2759 0.028 Uiso 1 1 calc R U . . .
H37B H 0.2904 0.3552 0.2239 0.028 Uiso 1 1 calc R U . . .
C38 C 0.2761(6) 0.2477(4) 0.2545(3) 0.0183(18) Uani 1 1 d . . . . .
H38 H 0.3176 0.2327 0.2223 0.022 Uiso 1 1 calc R U . . .
C39 C 0.3430(7) 0.2390(4) 0.3029(3) 0.0225(18) Uani 1 1 d . . . . .
C40 C 0.4272(7) 0.1929(5) 0.3004(4) 0.039(2) Uani 1 1 d . . . . .
H40 H 0.4415 0.1676 0.2673 0.047 Uiso 1 1 calc R U . . .
C44 C 0.3282(8) 0.2750(4) 0.3524(3) 0.0296(19) Uani 1 1 d . . . . .
H44 H 0.2721 0.3076 0.3557 0.035 Uiso 1 1 calc R U . . .
C51 C 0.1225(6) 0.1714(4) 0.3255(3) 0.0177(18) Uani 1 1 d . . . . .
H51A H 0.1416 0.2149 0.3478 0.021 Uiso 1 1 calc R U . . .
H51B H 0.0481 0.1653 0.3276 0.021 Uiso 1 1 calc R U . . .
C52 C 0.1748(7) 0.1025(3) 0.3475(3) 0.0202(17) Uani 1 1 d . . . . .
H52A H 0.1366 0.0828 0.3791 0.024 Uiso 1 1 calc R U . . .
H52B H 0.2442 0.1149 0.3598 0.024 Uiso 1 1 calc R U . . .
C53 C 0.0813(6) -0.0367(4) 0.3118(3) 0.0208(18) Uani 1 1 d . . . . .
H53 H 0.0707 -0.0690 0.2792 0.025 Uiso 1 1 calc R U . . .
C63 C -0.0201(6) -0.0036(4) 0.3252(3) 0.023(2) Uani 1 1 d . . . . .
C68 C -0.0749(6) 0.0329(4) 0.2847(4) 0.031(2) Uani 1 1 d . . . . .
H68 H -0.0469 0.0375 0.2491 0.038 Uiso 1 1 calc R U . . .
C67 C -0.1691(8) 0.0623(4) 0.2956(4) 0.044(2) Uani 1 1 d . . . . .
H67 H -0.2062 0.0860 0.2673 0.053 Uiso 1 1 calc R U . . .
C66 C -0.2093(7) 0.0575(5) 0.3470(4) 0.049(3) Uani 1 1 d . . . . .
H66 H -0.2737 0.0787 0.3545 0.059 Uiso 1 1 calc R U . . .
C65 C -0.1571(7) 0.0222(5) 0.3875(4) 0.045(2) Uani 1 1 d . . . . .
H65 H -0.1856 0.0183 0.4229 0.053 Uiso 1 1 calc R U . . .
C64 C -0.0621(7) -0.0078(5) 0.3767(3) 0.032(2) Uani 1 1 d . . . . .
H64 H -0.0256 -0.0315 0.4052 0.038 Uiso 1 1 calc R U . . .
C54 C 0.1325(6) -0.0848(4) 0.3548(3) 0.026(2) Uani 1 1 d . . . . .
H54A H 0.1365 -0.0582 0.3901 0.031 Uiso 1 1 calc R U . . .
H54B H 0.0938 -0.1310 0.3603 0.031 Uiso 1 1 calc R U . . .
C55 C 0.2383(6) -0.1018(4) 0.3336(3) 0.026(2) Uani 1 1 d . . . . .
H55A H 0.2343 -0.1359 0.3021 0.032 Uiso 1 1 calc R U . . .
H55B H 0.2792 -0.1256 0.3625 0.032 Uiso 1 1 calc R U . . .
C56 C 0.2872(6) -0.0282(4) 0.3162(3) 0.0225(19) Uani 1 1 d . . . . .
H56 H 0.3136 -0.0048 0.3504 0.027 Uiso 1 1 calc R U . . .
C57 C 0.3771(6) -0.0377(4) 0.2791(3) 0.0220(18) Uani 1 1 d . . . . .
C62 C 0.4702(6) -0.0104(4) 0.2932(4) 0.028(2) Uani 1 1 d . . . . .
H62 H 0.4767 0.0179 0.3257 0.034 Uiso 1 1 calc R U . . .
C61 C 0.5555(7) -0.0231(4) 0.2612(4) 0.032(2) Uani 1 1 d . . . . .
H61 H 0.6193 -0.0039 0.2721 0.038 Uiso 1 1 calc R U . . .
C60 C 0.5476(7) -0.0633(4) 0.2138(4) 0.032(2) Uani 1 1 d . . . . .
H60 H 0.6053 -0.0711 0.1913 0.039 Uiso 1 1 calc R U . . .
C59 C 0.4548(7) -0.0919(5) 0.1993(3) 0.039(2) Uani 1 1 d . . . . .
H59 H 0.4490 -0.1214 0.1674 0.047 Uiso 1 1 calc R U . . .
C58 C 0.3700(7) -0.0782(5) 0.2308(3) 0.035(2) Uani 1 1 d . . . . .
H58 H 0.3060 -0.0965 0.2194 0.042 Uiso 1 1 calc R U . . .
C41 C 0.4912(8) 0.1827(6) 0.3450(5) 0.061(3) Uani 1 1 d . . . . .
H41 H 0.5479 0.1505 0.3423 0.074 Uiso 1 1 calc R U . . .
C45 C -0.0173(6) 0.2398(4) 0.2003(3) 0.026(2) Uani 1 1 d . . . . .
C50 C -0.1099(7) 0.2334(4) 0.2267(4) 0.032(2) Uani 1 1 d . . . . .
H50 H -0.1143 0.2436 0.2647 0.038 Uiso 1 1 calc R U . . .
C43 C 0.3909(8) 0.2657(4) 0.3967(4) 0.040(2) Uani 1 1 d . . . . .
H43 H 0.3779 0.2914 0.4298 0.048 Uiso 1 1 calc R U . . .
C42 C 0.4716(9) 0.2194(5) 0.3928(5) 0.056(3) Uani 1 1 d . . . . .
H42 H 0.5148 0.2124 0.4234 0.068 Uiso 1 1 calc R U . . .
C47 C -0.0991(8) 0.2029(5) 0.1168(4) 0.047(3) Uani 1 1 d . . . . .
H47 H -0.0949 0.1923 0.0789 0.056 Uiso 1 1 calc R U . . .
C48 C -0.1904(8) 0.1972(5) 0.1428(4) 0.044(3) Uani 1 1 d . . . . .
H48 H -0.2493 0.1832 0.1231 0.053 Uiso 1 1 calc R U . . .
C49 C -0.1966(7) 0.2120(4) 0.1982(4) 0.043(3) Uani 1 1 d . . . . .
H49 H -0.2596 0.2077 0.2166 0.051 Uiso 1 1 calc R U . . .


_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 P2 2.1654(17) . ?
Rh1 P1 2.178(2) . ?
Rh1 Rh2 2.6246(7) . ?
Rh2 P3 2.1743(18) . ?
Rh2 P4 2.1842(18) . ?
P1 C17 1.854(7) . ?
P1 C4 1.863(7) . ?
P1 C1 1.876(8) . ?
P2 C18 1.833(6) . ?
P2 C22 1.859(8) . ?
P2 C19 1.891(8) . ?
P3 C51 1.842(7) . ?
P3 C35 1.874(7) . ?
P3 C38 1.884(8) . ?
P4 C52 1.862(7) . ?
P4 C53 1.867(8) . ?
P4 C56 1.882(8) . ?
C1 C11 1.504(10) . ?
C1 C2 1.550(10) . ?
C1 H1 1.0000 . ?
C2 C3 1.542(11) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.550(10) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.513(10) . ?
C4 H4 1.0000 . ?
C5 C6 1.386(10) . ?
C5 C10 1.390(11) . ?
C6 C7 1.384(10) . ?
C6 H6 0.9500 . ?
C7 C8 1.386(11) . ?
C7 H7 0.9500 . ?
C8 C9 1.377(11) . ?
C8 H8 0.9500 . ?
C9 C10 1.386(11) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C16 1.383(10) . ?
C11 C12 1.390(10) . ?
C12 C13 1.391(10) . ?
C12 H12 0.9500 . ?
C13 C14 1.391(11) . ?
C13 H13 0.9500 . ?
C14 C15 1.375(11) . ?
C14 H14 0.9500 . ?
C15 C16 1.385(11) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C18 1.537(9) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C29 1.485(10) . ?
C19 C20 1.548(10) . ?
C19 H19 1.0000 . ?
C20 C21 1.542(10) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.515(10) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.511(10) . ?
C22 H22 1.0000 . ?
C23 C24 1.394(10) . ?
C23 C28 1.395(11) . ?
C24 C25 1.391(12) . ?
C24 H24 0.9500 . ?
C25 C26 1.376(12) . ?
C25 H25 0.9500 . ?
C26 C27 1.387(11) . ?
C26 H26 0.9500 . ?
C27 C28 1.374(11) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C30 1.392(10) . ?
C29 C34 1.400(9) . ?
C30 C31 1.379(10) . ?
C30 H30 0.9500 . ?
C31 C32 1.386(10) . ?
C31 H31 0.9500 . ?
C32 C33 1.373(11) . ?
C32 H32 0.9500 . ?
C33 C34 1.384(10) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C35 C45 1.503(10) . ?
C35 C36 1.528(10) . ?
C35 H35 1.0000 . ?
C46 C47 1.386(12) . ?
C46 C45 1.393(11) . ?
C46 H46 0.9500 . ?
C36 C37 1.509(11) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 C38 1.534(10) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.487(10) . ?
C38 H38 1.0000 . ?
C39 C40 1.391(11) . ?
C39 C44 1.391(10) . ?
C40 C41 1.394(13) . ?
C40 H40 0.9500 . ?
C44 C43 1.377(11) . ?
C44 H44 0.9500 . ?
C51 C52 1.523(9) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C63 1.502(11) . ?
C53 C54 1.524(10) . ?
C53 H53 1.0000 . ?
C63 C64 1.382(11) . ?
C63 C68 1.393(11) . ?
C68 C67 1.379(12) . ?
C68 H68 0.9500 . ?
C67 C66 1.370(12) . ?
C67 H67 0.9500 . ?
C66 C65 1.367(13) . ?
C66 H66 0.9500 . ?
C65 C64 1.392(12) . ?
C65 H65 0.9500 . ?
C64 H64 0.9500 . ?
C54 C55 1.522(11) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 C56 1.542(10) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 C57 1.505(11) . ?
C56 H56 1.0000 . ?
C57 C62 1.370(11) . ?
C57 C58 1.394(10) . ?
C62 C61 1.392(11) . ?
C62 H62 0.9500 . ?
C61 C60 1.375(11) . ?
C61 H61 0.9500 . ?
C60 C59 1.377(12) . ?
C60 H60 0.9500 . ?
C59 C58 1.382(11) . ?
C59 H59 0.9500 . ?
C58 H58 0.9500 . ?
C41 C42 1.371(15) . ?
C41 H41 0.9500 . ?
C45 C50 1.388(12) . ?
C50 C49 1.396(11) . ?
C50 H50 0.9500 . ?
C43 C42 1.359(13) . ?
C43 H43 0.9500 . ?
C42 H42 0.9500 . ?
C47 C48 1.369(14) . ?
C47 H47 0.9500 . ?
C48 C49 1.385(13) . ?
C48 H48 0.9500 . ?
C49 H49 0.9500 . ?

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
P2 Rh1 P1 85.34(7) . . ?
P2 Rh1 Rh2 138.15(5) . . ?
P1 Rh1 Rh2 135.30(6) . . ?
P3 Rh2 P4 85.02(7) . . ?
P3 Rh2 Rh1 136.59(5) . . ?
P4 Rh2 Rh1 138.39(5) . . ?
C17 P1 C4 101.9(3) . . ?
C17 P1 C1 109.1(4) . . ?
C4 P1 C1 92.9(3) . . ?
C17 P1 Rh1 113.1(2) . . ?
C4 P1 Rh1 120.2(2) . . ?
C1 P1 Rh1 117.1(3) . . ?
C18 P2 C22 102.5(4) . . ?
C18 P2 C19 110.9(4) . . ?
C22 P2 C19 92.5(3) . . ?
C18 P2 Rh1 113.2(2) . . ?
C22 P2 Rh1 121.9(3) . . ?
C19 P2 Rh1 113.8(2) . . ?
C51 P3 C35 102.5(4) . . ?
C51 P3 C38 107.7(3) . . ?
C35 P3 C38 92.9(3) . . ?
C51 P3 Rh2 110.6(2) . . ?
C35 P3 Rh2 122.1(2) . . ?
C38 P3 Rh2 118.7(3) . . ?
C52 P4 C53 104.0(3) . . ?
C52 P4 C56 101.3(4) . . ?
C53 P4 C56 93.2(3) . . ?
C52 P4 Rh2 112.6(2) . . ?
C53 P4 Rh2 117.5(2) . . ?
C56 P4 Rh2 124.8(3) . . ?
C11 C1 C2 117.1(6) . . ?
C11 C1 P1 115.9(5) . . ?
C2 C1 P1 106.4(5) . . ?
C11 C1 H1 105.4 . . ?
C2 C1 H1 105.4 . . ?
P1 C1 H1 105.4 . . ?
C3 C2 C1 106.3(6) . . ?
C3 C2 H2A 110.5 . . ?
C1 C2 H2A 110.5 . . ?
C3 C2 H2B 110.5 . . ?
C1 C2 H2B 110.5 . . ?
H2A C2 H2B 108.7 . . ?
C2 C3 C4 104.3(6) . . ?
C2 C3 H3A 110.9 . . ?
C4 C3 H3A 110.9 . . ?
C2 C3 H3B 110.9 . . ?
C4 C3 H3B 110.9 . . ?
H3A C3 H3B 108.9 . . ?
C5 C4 C3 114.4(6) . . ?
C5 C4 P1 117.3(5) . . ?
C3 C4 P1 103.9(5) . . ?
C5 C4 H4 106.8 . . ?
C3 C4 H4 106.8 . . ?
P1 C4 H4 106.8 . . ?
C6 C5 C10 118.7(7) . . ?
C6 C5 C4 121.6(7) . . ?
C10 C5 C4 119.7(7) . . ?
C7 C6 C5 120.4(8) . . ?
C7 C6 H6 119.8 . . ?
C5 C6 H6 119.8 . . ?
C6 C7 C8 120.7(8) . . ?
C6 C7 H7 119.7 . . ?
C8 C7 H7 119.7 . . ?
C9 C8 C7 119.1(8) . . ?
C9 C8 H8 120.4 . . ?
C7 C8 H8 120.4 . . ?
C8 C9 C10 120.5(8) . . ?
C8 C9 H9 119.8 . . ?
C10 C9 H9 119.8 . . ?
C9 C10 C5 120.6(8) . . ?
C9 C10 H10 119.7 . . ?
C5 C10 H10 119.7 . . ?
C16 C11 C12 118.1(7) . . ?
C16 C11 C1 122.8(7) . . ?
C12 C11 C1 119.1(7) . . ?
C11 C12 C13 120.8(7) . . ?
C11 C12 H12 119.6 . . ?
C13 C12 H12 119.6 . . ?
C12 C13 C14 120.2(8) . . ?
C12 C13 H13 119.9 . . ?
C14 C13 H13 119.9 . . ?
C15 C14 C13 119.0(8) . . ?
C15 C14 H14 120.5 . . ?
C13 C14 H14 120.5 . . ?
C14 C15 C16 120.6(7) . . ?
C14 C15 H15 119.7 . . ?
C16 C15 H15 119.7 . . ?
C11 C16 C15 121.3(8) . . ?
C11 C16 H16 119.4 . . ?
C15 C16 H16 119.4 . . ?
C18 C17 P1 110.1(5) . . ?
C18 C17 H17A 109.6 . . ?
P1 C17 H17A 109.6 . . ?
C18 C17 H17B 109.6 . . ?
P1 C17 H17B 109.6 . . ?
H17A C17 H17B 108.2 . . ?
C17 C18 P2 110.1(5) . . ?
C17 C18 H18A 109.6 . . ?
P2 C18 H18A 109.6 . . ?
C17 C18 H18B 109.6 . . ?
P2 C18 H18B 109.6 . . ?
H18A C18 H18B 108.2 . . ?
C29 C19 C20 118.7(6) . . ?
C29 C19 P2 114.1(5) . . ?
C20 C19 P2 106.5(5) . . ?
C29 C19 H19 105.5 . . ?
C20 C19 H19 105.5 . . ?
P2 C19 H19 105.5 . . ?
C21 C20 C19 107.5(6) . . ?
C21 C20 H20A 110.2 . . ?
C19 C20 H20A 110.2 . . ?
C21 C20 H20B 110.2 . . ?
C19 C20 H20B 110.2 . . ?
H20A C20 H20B 108.5 . . ?
C22 C21 C20 106.1(7) . . ?
C22 C21 H21A 110.5 . . ?
C20 C21 H21A 110.5 . . ?
C22 C21 H21B 110.5 . . ?
C20 C21 H21B 110.5 . . ?
H21A C21 H21B 108.7 . . ?
C23 C22 C21 117.6(7) . . ?
C23 C22 P2 115.1(5) . . ?
C21 C22 P2 103.0(5) . . ?
C23 C22 H22 106.8 . . ?
C21 C22 H22 106.8 . . ?
P2 C22 H22 106.8 . . ?
C24 C23 C28 119.0(7) . . ?
C24 C23 C22 121.7(7) . . ?
C28 C23 C22 119.3(7) . . ?
C25 C24 C23 119.4(8) . . ?
C25 C24 H24 120.3 . . ?
C23 C24 H24 120.3 . . ?
C26 C25 C24 121.7(8) . . ?
C26 C25 H25 119.1 . . ?
C24 C25 H25 119.1 . . ?
C25 C26 C27 118.3(8) . . ?
C25 C26 H26 120.9 . . ?
C27 C26 H26 120.9 . . ?
C28 C27 C26 121.3(8) . . ?
C28 C27 H27 119.3 . . ?
C26 C27 H27 119.3 . . ?
C27 C28 C23 120.3(8) . . ?
C27 C28 H28 119.9 . . ?
C23 C28 H28 119.9 . . ?
C30 C29 C34 116.7(7) . . ?
C30 C29 C19 119.9(6) . . ?
C34 C29 C19 123.4(7) . . ?
C31 C30 C29 121.8(7) . . ?
C31 C30 H30 119.1 . . ?
C29 C30 H30 119.1 . . ?
C30 C31 C32 120.4(8) . . ?
C30 C31 H31 119.8 . . ?
C32 C31 H31 119.8 . . ?
C33 C32 C31 119.1(8) . . ?
C33 C32 H32 120.4 . . ?
C31 C32 H32 120.4 . . ?
C32 C33 C34 120.4(7) . . ?
C32 C33 H33 119.8 . . ?
C34 C33 H33 119.8 . . ?
C33 C34 C29 121.6(7) . . ?
C33 C34 H34 119.2 . . ?
C29 C34 H34 119.2 . . ?
C45 C35 C36 117.1(7) . . ?
C45 C35 P3 116.0(5) . . ?
C36 C35 P3 103.7(5) . . ?
C45 C35 H35 106.4 . . ?
C36 C35 H35 106.4 . . ?
P3 C35 H35 106.4 . . ?
C47 C46 C45 120.2(9) . . ?
C47 C46 H46 119.9 . . ?
C45 C46 H46 119.9 . . ?
C37 C36 C35 106.3(6) . . ?
C37 C36 H36A 110.5 . . ?
C35 C36 H36A 110.5 . . ?
C37 C36 H36B 110.5 . . ?
C35 C36 H36B 110.5 . . ?
H36A C36 H36B 108.7 . . ?
C36 C37 C38 107.6(6) . . ?
C36 C37 H37A 110.2 . . ?
C38 C37 H37A 110.2 . . ?
C36 C37 H37B 110.2 . . ?
C38 C37 H37B 110.2 . . ?
H37A C37 H37B 108.5 . . ?
C39 C38 C37 117.4(6) . . ?
C39 C38 P3 114.8(5) . . ?
C37 C38 P3 105.7(5) . . ?
C39 C38 H38 106.0 . . ?
C37 C38 H38 106.0 . . ?
P3 C38 H38 106.0 . . ?
C40 C39 C44 115.6(8) . . ?
C40 C39 C38 120.2(7) . . ?
C44 C39 C38 124.2(8) . . ?
C39 C40 C41 122.0(9) . . ?
C39 C40 H40 119.0 . . ?
C41 C40 H40 119.0 . . ?
C43 C44 C39 123.2(9) . . ?
C43 C44 H44 118.4 . . ?
C39 C44 H44 118.4 . . ?
C52 C51 P3 109.1(5) . . ?
C52 C51 H51A 109.9 . . ?
P3 C51 H51A 109.9 . . ?
C52 C51 H51B 109.9 . . ?
P3 C51 H51B 109.9 . . ?
H51A C51 H51B 108.3 . . ?
C51 C52 P4 108.6(5) . . ?
C51 C52 H52A 110.0 . . ?
P4 C52 H52A 110.0 . . ?
C51 C52 H52B 110.0 . . ?
P4 C52 H52B 110.0 . . ?
H52A C52 H52B 108.4 . . ?
C63 C53 C54 118.2(7) . . ?
C63 C53 P4 114.3(5) . . ?
C54 C53 P4 104.5(5) . . ?
C63 C53 H53 106.3 . . ?
C54 C53 H53 106.3 . . ?
P4 C53 H53 106.3 . . ?
C64 C63 C68 117.9(8) . . ?
C64 C63 C53 122.3(8) . . ?
C68 C63 C53 119.8(7) . . ?
C67 C68 C63 120.9(8) . . ?
C67 C68 H68 119.5 . . ?
C63 C68 H68 119.5 . . ?
C66 C67 C68 120.2(9) . . ?
C66 C67 H67 119.9 . . ?
C68 C67 H67 119.9 . . ?
C65 C66 C67 120.1(9) . . ?
C65 C66 H66 119.9 . . ?
C67 C66 H66 119.9 . . ?
C66 C65 C64 120.0(9) . . ?
C66 C65 H65 120.0 . . ?
C64 C65 H65 120.0 . . ?
C63 C64 C65 120.9(9) . . ?
C63 C64 H64 119.6 . . ?
C65 C64 H64 119.6 . . ?
C55 C54 C53 106.6(6) . . ?
C55 C54 H54A 110.4 . . ?
C53 C54 H54A 110.4 . . ?
C55 C54 H54B 110.4 . . ?
C53 C54 H54B 110.4 . . ?
H54A C54 H54B 108.6 . . ?
C54 C55 C56 107.7(6) . . ?
C54 C55 H55A 110.2 . . ?
C56 C55 H55A 110.2 . . ?
C54 C55 H55B 110.2 . . ?
C56 C55 H55B 110.2 . . ?
H55A C55 H55B 108.5 . . ?
C57 C56 C55 113.4(6) . . ?
C57 C56 P4 118.0(5) . . ?
C55 C56 P4 105.9(5) . . ?
C57 C56 H56 106.2 . . ?
C55 C56 H56 106.2 . . ?
P4 C56 H56 106.2 . . ?
C62 C57 C58 117.7(8) . . ?
C62 C57 C56 120.8(7) . . ?
C58 C57 C56 121.4(7) . . ?
C57 C62 C61 121.5(8) . . ?
C57 C62 H62 119.2 . . ?
C61 C62 H62 119.2 . . ?
C60 C61 C62 120.2(8) . . ?
C60 C61 H61 119.9 . . ?
C62 C61 H61 119.9 . . ?
C61 C60 C59 119.0(9) . . ?
C61 C60 H60 120.5 . . ?
C59 C60 H60 120.5 . . ?
C60 C59 C58 120.6(8) . . ?
C60 C59 H59 119.7 . . ?
C58 C59 H59 119.7 . . ?
C59 C58 C57 121.0(8) . . ?
C59 C58 H58 119.5 . . ?
C57 C58 H58 119.5 . . ?
C42 C41 C40 119.4(10) . . ?
C42 C41 H41 120.3 . . ?
C40 C41 H41 120.3 . . ?
C50 C45 C46 118.7(8) . . ?
C50 C45 C35 119.9(8) . . ?
C46 C45 C35 121.4(8) . . ?
C45 C50 C49 120.7(8) . . ?
C45 C50 H50 119.6 . . ?
C49 C50 H50 119.6 . . ?
C42 C43 C44 119.4(9) . . ?
C42 C43 H43 120.3 . . ?
C44 C43 H43 120.3 . . ?
C43 C42 C41 120.5(10) . . ?
C43 C42 H42 119.8 . . ?
C41 C42 H42 119.8 . . ?
C48 C47 C46 121.1(9) . . ?
C48 C47 H47 119.5 . . ?
C46 C47 H47 119.5 . . ?
C47 C48 C49 119.6(9) . . ?
C47 C48 H48 120.2 . . ?
C49 C48 H48 120.2 . . ?
C48 C49 C50 119.8(9) . . ?
C48 C49 H49 120.1 . . ?
C50 C49 H49 120.1 . . ?

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 P1 C1 C11 32.5(7) . . . . ?
C4 P1 C1 C11 136.1(6) . . . . ?
Rh1 P1 C1 C11 -97.6(6) . . . . ?
C17 P1 C1 C2 -99.8(6) . . . . ?
C4 P1 C1 C2 3.8(6) . . . . ?
Rh1 P1 C1 C2 130.2(5) . . . . ?
C11 C1 C2 C3 -164.2(7) . . . . ?
P1 C1 C2 C3 -32.6(7) . . . . ?
C1 C2 C3 C4 52.9(8) . . . . ?
C2 C3 C4 C5 -177.5(6) . . . . ?
C2 C3 C4 P1 -48.2(7) . . . . ?
C17 P1 C4 C5 -96.9(6) . . . . ?
C1 P1 C4 C5 152.8(6) . . . . ?
Rh1 P1 C4 C5 28.9(7) . . . . ?
C17 P1 C4 C3 135.7(5) . . . . ?
C1 P1 C4 C3 25.4(5) . . . . ?
Rh1 P1 C4 C3 -98.5(5) . . . . ?
C3 C4 C5 C6 69.4(9) . . . . ?
P1 C4 C5 C6 -52.7(8) . . . . ?
C3 C4 C5 C10 -112.3(8) . . . . ?
P1 C4 C5 C10 125.6(6) . . . . ?
C10 C5 C6 C7 0.2(11) . . . . ?
C4 C5 C6 C7 178.5(7) . . . . ?
C5 C6 C7 C8 0.7(11) . . . . ?
C6 C7 C8 C9 -0.1(12) . . . . ?
C7 C8 C9 C10 -1.3(12) . . . . ?
C8 C9 C10 C5 2.2(11) . . . . ?
C6 C5 C10 C9 -1.6(11) . . . . ?
C4 C5 C10 C9 -179.9(6) . . . . ?
C2 C1 C11 C16 4.2(11) . . . . ?
P1 C1 C11 C16 -122.9(7) . . . . ?
C2 C1 C11 C12 -174.4(7) . . . . ?
P1 C1 C11 C12 58.5(9) . . . . ?
C16 C11 C12 C13 1.0(11) . . . . ?
C1 C11 C12 C13 179.7(7) . . . . ?
C11 C12 C13 C14 -1.2(12) . . . . ?
C12 C13 C14 C15 0.9(12) . . . . ?
C13 C14 C15 C16 -0.5(12) . . . . ?
C12 C11 C16 C15 -0.6(12) . . . . ?
C1 C11 C16 C15 -179.3(7) . . . . ?
C14 C15 C16 C11 0.4(12) . . . . ?
C4 P1 C17 C18 151.7(5) . . . . ?
C1 P1 C17 C18 -110.9(6) . . . . ?
Rh1 P1 C17 C18 21.3(6) . . . . ?
P1 C17 C18 P2 -30.1(7) . . . . ?
C22 P2 C18 C17 162.2(5) . . . . ?
C19 P2 C18 C17 -100.2(5) . . . . ?
Rh1 P2 C18 C17 29.1(6) . . . . ?
C18 P2 C19 C29 23.3(7) . . . . ?
C22 P2 C19 C29 127.6(6) . . . . ?
Rh1 P2 C19 C29 -105.7(5) . . . . ?
C18 P2 C19 C20 -109.6(5) . . . . ?
C22 P2 C19 C20 -5.3(5) . . . . ?
Rh1 P2 C19 C20 121.4(5) . . . . ?
C29 C19 C20 C21 -152.9(7) . . . . ?
P2 C19 C20 C21 -22.6(7) . . . . ?
C19 C20 C21 C22 48.3(8) . . . . ?
C20 C21 C22 C23 -178.1(6) . . . . ?
C20 C21 C22 P2 -50.4(6) . . . . ?
C18 P2 C22 C23 -86.9(6) . . . . ?
C19 P2 C22 C23 161.0(6) . . . . ?
Rh1 P2 C22 C23 40.8(7) . . . . ?
C18 P2 C22 C21 143.8(5) . . . . ?
C19 P2 C22 C21 31.7(5) . . . . ?
Rh1 P2 C22 C21 -88.5(5) . . . . ?
C21 C22 C23 C24 51.2(10) . . . . ?
P2 C22 C23 C24 -70.5(8) . . . . ?
C21 C22 C23 C28 -129.5(8) . . . . ?
P2 C22 C23 C28 108.9(7) . . . . ?
C28 C23 C24 C25 1.7(11) . . . . ?
C22 C23 C24 C25 -178.9(7) . . . . ?
C23 C24 C25 C26 -1.0(12) . . . . ?
C24 C25 C26 C27 0.4(12) . . . . ?
C25 C26 C27 C28 -0.5(12) . . . . ?
C26 C27 C28 C23 1.2(12) . . . . ?
C24 C23 C28 C27 -1.8(11) . . . . ?
C22 C23 C28 C27 178.8(7) . . . . ?
C20 C19 C29 C30 -150.6(7) . . . . ?
P2 C19 C29 C30 82.7(8) . . . . ?
C20 C19 C29 C34 32.5(10) . . . . ?
P2 C19 C29 C34 -94.2(7) . . . . ?
C34 C29 C30 C31 -1.2(10) . . . . ?
C19 C29 C30 C31 -178.3(7) . . . . ?
C29 C30 C31 C32 -0.1(11) . . . . ?
C30 C31 C32 C33 1.0(11) . . . . ?
C31 C32 C33 C34 -0.6(11) . . . . ?
C32 C33 C34 C29 -0.7(11) . . . . ?
C30 C29 C34 C33 1.6(10) . . . . ?
C19 C29 C34 C33 178.6(7) . . . . ?
C51 P3 C35 C45 -98.4(6) . . . . ?
C38 P3 C35 C45 152.8(6) . . . . ?
Rh2 P3 C35 C45 26.0(7) . . . . ?
C51 P3 C35 C36 131.7(5) . . . . ?
C38 P3 C35 C36 22.9(5) . . . . ?
Rh2 P3 C35 C36 -103.9(5) . . . . ?
C45 C35 C36 C37 -174.9(6) . . . . ?
P3 C35 C36 C37 -45.7(7) . . . . ?
C35 C36 C37 C38 51.9(8) . . . . ?
C36 C37 C38 C39 -161.8(7) . . . . ?
C36 C37 C38 P3 -32.2(7) . . . . ?
C51 P3 C38 C39 31.8(6) . . . . ?
C35 P3 C38 C39 135.9(6) . . . . ?
Rh2 P3 C38 C39 -94.7(6) . . . . ?
C51 P3 C38 C37 -99.3(5) . . . . ?
C35 P3 C38 C37 4.8(5) . . . . ?
Rh2 P3 C38 C37 134.2(4) . . . . ?
C37 C38 C39 C40 -139.2(8) . . . . ?
P3 C38 C39 C40 95.6(8) . . . . ?
C37 C38 C39 C44 40.3(11) . . . . ?
P3 C38 C39 C44 -85.0(8) . . . . ?
C44 C39 C40 C41 1.1(13) . . . . ?
C38 C39 C40 C41 -179.4(8) . . . . ?
C40 C39 C44 C43 -0.9(12) . . . . ?
C38 C39 C44 C43 179.7(7) . . . . ?
C35 P3 C51 C52 171.6(5) . . . . ?
C38 P3 C51 C52 -91.2(6) . . . . ?
Rh2 P3 C51 C52 39.9(6) . . . . ?
P3 C51 C52 P4 -37.6(6) . . . . ?
C53 P4 C52 C51 -105.4(6) . . . . ?
C56 P4 C52 C51 158.3(5) . . . . ?
Rh2 P4 C52 C51 22.8(6) . . . . ?
C52 P4 C53 C63 50.4(6) . . . . ?
C56 P4 C53 C63 152.9(6) . . . . ?
Rh2 P4 C53 C63 -74.8(6) . . . . ?
C52 P4 C53 C54 -80.4(6) . . . . ?
C56 P4 C53 C54 22.2(5) . . . . ?
Rh2 P4 C53 C54 154.5(4) . . . . ?
C54 C53 C63 C64 8.1(11) . . . . ?
P4 C53 C63 C64 -115.6(7) . . . . ?
C54 C53 C63 C68 -172.0(7) . . . . ?
P4 C53 C63 C68 64.3(8) . . . . ?
C64 C63 C68 C67 -1.5(11) . . . . ?
C53 C63 C68 C67 178.6(7) . . . . ?
C63 C68 C67 C66 1.5(13) . . . . ?
C68 C67 C66 C65 -1.2(13) . . . . ?
C67 C66 C65 C64 1.0(13) . . . . ?
C68 C63 C64 C65 1.3(11) . . . . ?
C53 C63 C64 C65 -178.8(7) . . . . ?
C66 C65 C64 C63 -1.1(12) . . . . ?
C63 C53 C54 C55 -172.6(6) . . . . ?
P4 C53 C54 C55 -44.2(7) . . . . ?
C53 C54 C55 C56 50.1(8) . . . . ?
C54 C55 C56 C57 -162.3(6) . . . . ?
C54 C55 C56 P4 -31.3(7) . . . . ?
C52 P4 C56 C57 -121.8(6) . . . . ?
C53 P4 C56 C57 133.2(6) . . . . ?
Rh2 P4 C56 C57 6.2(7) . . . . ?
C52 P4 C56 C55 109.9(5) . . . . ?
C53 P4 C56 C55 4.9(5) . . . . ?
Rh2 P4 C56 C55 -122.1(5) . . . . ?
C55 C56 C57 C62 -121.8(8) . . . . ?
P4 C56 C57 C62 113.6(7) . . . . ?
C55 C56 C57 C58 54.5(10) . . . . ?
P4 C56 C57 C58 -70.2(9) . . . . ?
C58 C57 C62 C61 -0.8(12) . . . . ?
C56 C57 C62 C61 175.6(7) . . . . ?
C57 C62 C61 C60 0.6(12) . . . . ?
C62 C61 C60 C59 -1.4(12) . . . . ?
C61 C60 C59 C58 2.5(13) . . . . ?
C60 C59 C58 C57 -2.7(13) . . . . ?
C62 C57 C58 C59 1.9(12) . . . . ?
C56 C57 C58 C59 -174.5(8) . . . . ?
C39 C40 C41 C42 -0.5(16) . . . . ?
C47 C46 C45 C50 0.6(12) . . . . ?
C47 C46 C45 C35 179.9(7) . . . . ?
C36 C35 C45 C50 -138.3(8) . . . . ?
P3 C35 C45 C50 98.5(8) . . . . ?
C36 C35 C45 C46 42.3(10) . . . . ?
P3 C35 C45 C46 -80.8(9) . . . . ?
C46 C45 C50 C49 -0.5(12) . . . . ?
C35 C45 C50 C49 -179.9(7) . . . . ?
C39 C44 C43 C42 0.0(13) . . . . ?
C44 C43 C42 C41 0.6(14) . . . . ?
C40 C41 C42 C43 -0.4(16) . . . . ?
C45 C46 C47 C48 -0.1(14) . . . . ?
C46 C47 C48 C49 -0.6(14) . . . . ?
C47 C48 C49 C50 0.7(13) . . . . ?
C45 C50 C49 C48 -0.1(13) . . . . ?

_refine_diff_density_max         0.973
_refine_diff_density_min         -0.572
_refine_diff_density_rms         0.095


_chemical_properties_physical    Air-sensitive,Moisture-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_bv_a
_database_code_depnum_ccdc_archive 'CCDC 2166333'
loop_
_audit_author_name
_audit_author_address
'Kangsang Lee'
;University of Central Florida
United States of America
;
_audit_update_record             
;
2022-04-13 deposited with the CCDC.	2022-08-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H36.50 Cl0.50 P2 Rh'
_chemical_formula_weight         627.70

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_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, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   10.8094(3)
_cell_length_b                   22.1084(5)
_cell_length_c                   24.4640(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5846.4(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9977
_cell_measurement_theta_min      2.26
_cell_measurement_theta_max      27.10

_exptl_crystal_description       chunk
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.426
_exptl_crystal_F_000             2592
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.303
_exptl_crystal_size_mid          0.201
_exptl_crystal_size_min          0.199
_exptl_absorpt_coefficient_mu    0.761
_shelx_estimated_absorpt_T_min   0.802
_shelx_estimated_absorpt_T_max   0.863
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.89
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            28950
_diffrn_reflns_av_unetI/netI     0.0350
_diffrn_reflns_av_R_equivalents  0.0219
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.241
_diffrn_reflns_theta_max         27.173
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             12742
_reflns_number_gt                11905
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.797
_reflns_Friedel_fraction_max     0.967
_reflns_Friedel_fraction_full    0.994

_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-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0346P)²+0.0091P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
; 
 Flack x determined using 5034 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   -0.021(8)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         12742
_refine_ls_number_parameters     669
_refine_ls_number_restraints     48
_refine_ls_R_factor_all          0.0288
_refine_ls_R_factor_gt           0.0248
_refine_ls_wR_factor_ref         0.0627
_refine_ls_wR_factor_gt          0.0566
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.048
_refine_ls_shift/su_mean         0.002

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Rh01 Rh 0.80804(3) 0.58717(2) 0.71066(2) 0.01360(6) Uani 1 1 d . . . A 4
Rh02 Rh 0.74932(3) 0.55561(2) 0.60230(2) 0.01378(6) Uani 1 1 d . . . A 4
Cl03 Cl 0.92851(8) 0.61043(4) 0.63089(3) 0.01788(18) Uani 1 1 d . . . A 4
P3 P 0.57593(9) 0.51365(4) 0.58087(4) 0.01514(18) Uani 1 1 d . . . A 4
P2 P 0.70804(8) 0.55464(4) 0.78151(3) 0.01581(18) Uani 1 1 d . . . A 4
P1 P 0.92819(9) 0.63605(4) 0.76860(4) 0.01745(19) Uani 1 1 d . . . A 4
P4 P 0.78762(9) 0.55521(4) 0.51446(3) 0.01668(19) Uani 1 1 d . . . A 4
C22 C 0.5457(3) 0.57894(16) 0.79581(13) 0.0189(7) Uani 1 1 d . . . A 4
H22 H 0.5005 0.5791 0.7601 0.023 Uiso 1 1 calc R U . A 4
C29 C 0.5401(4) 0.64272(18) 0.81855(15) 0.0226(8) Uani 1 1 d . . . A 4
C47 C 0.5690(4) 0.38726(15) 0.55838(15) 0.0238(9) Uani 1 1 d . . . A 4
C40 C 0.5601(4) 0.43266(14) 0.60430(13) 0.0176(7) Uani 1 1 d . . . A 4
H40 H 0.6323 0.4247 0.6288 0.021 Uiso 1 1 calc R U . A 4
C38 C 0.4170(4) 0.49535(15) 0.66107(14) 0.0188(8) Uani 1 1 d . . . A 4
H38A H 0.3337 0.4976 0.6778 0.023 Uiso 1 1 calc R U . A 4
H38B H 0.4791 0.5083 0.6884 0.023 Uiso 1 1 calc R U . A 4
C43 C 0.4409(4) 0.69925(16) 0.65731(15) 0.0229(8) Uani 1 1 d . . . A 4
H43 H 0.4918 0.7242 0.6795 0.027 Uiso 1 1 calc R U . A 4
C56 C 0.8112(4) 0.63144(15) 0.48199(14) 0.0212(8) Uani 1 1 d . . . A 4
H56 H 0.8473 0.6580 0.5110 0.025 Uiso 1 1 calc R U . A 4
C63 C 0.6913(4) 0.66002(15) 0.46573(14) 0.0208(8) Uani 1 1 d . . . A 4
C23 C 0.7185(3) 0.42503(15) 0.75527(15) 0.0218(8) Uani 1 1 d . . . A 4
C6 C 1.0941(4) 0.60958(18) 0.76823(15) 0.0240(8) Uani 1 1 d . . . A 4
H6 H 1.1032 0.5826 0.7357 0.029 Uiso 1 1 calc R U . A 4
C37 C 0.4237(3) 0.53515(15) 0.60996(14) 0.0182(7) Uani 1 1 d . . . A 4
H37 H 0.3595 0.5196 0.5841 0.022 Uiso 1 1 calc R U . A 4
C44 C 0.3367(4) 0.72337(16) 0.63268(15) 0.0243(9) Uani 1 1 d . . . A 4
H44 H 0.3162 0.7647 0.6381 0.029 Uiso 1 1 calc R U . A 4
C34 C 0.5881(4) 0.69018(16) 0.78842(16) 0.0229(8) Uani 1 1 d . . . A 4
H34 H 0.6205 0.6826 0.7530 0.028 Uiso 1 1 calc R U . A 4
C41 C 0.3976(3) 0.60197(15) 0.61759(13) 0.0170(7) Uani 1 1 d . . . A 4
C39 C 0.4442(4) 0.43086(15) 0.64115(14) 0.0205(8) Uani 1 1 d . . . A 4
H39A H 0.3727 0.4150 0.6203 0.025 Uiso 1 1 calc R U . A 4
H39B H 0.4589 0.4039 0.6728 0.025 Uiso 1 1 calc R U . A 4
C60 C 1.1127(4) 0.38387(19) 0.5749(2) 0.0361(11) Uani 1 1 d . . . A 4
H60 H 1.1539 0.3530 0.5949 0.043 Uiso 1 1 calc R U . A 4
C57 C 0.9954(4) 0.47488(17) 0.51516(15) 0.0244(8) Uani 1 1 d . . . A 4
C19 C 0.6726(3) 0.47215(15) 0.79522(14) 0.0207(8) Uani 1 1 d . . . A 4
H19 H 0.7129 0.4624 0.8310 0.025 Uiso 1 1 calc R U . A 4
C35 C 0.5443(4) 0.51859(15) 0.50703(13) 0.0178(8) Uani 1 1 d . . . A 4
H35A H 0.4902 0.4847 0.4957 0.021 Uiso 1 1 calc R U . A 4
H35B H 0.5011 0.5570 0.4988 0.021 Uiso 1 1 calc R U . A 4
C36 C 0.6659(4) 0.51585(15) 0.47561(14) 0.0201(8) Uani 1 1 d . . . A 4
H36A H 0.6557 0.5352 0.4394 0.024 Uiso 1 1 calc R U . A 4
H36B H 0.6900 0.4731 0.4698 0.024 Uiso 1 1 calc R U . A 4
C21 C 0.4902(4) 0.52876(17) 0.83045(14) 0.0238(8) Uani 1 1 d . . . A 4
H21A H 0.3987 0.5314 0.8302 0.029 Uiso 1 1 calc R U . A 4
H21B H 0.5193 0.5321 0.8687 0.029 Uiso 1 1 calc R U . A 4
C53 C 0.9300(4) 0.52248(17) 0.48174(15) 0.0231(8) Uani 1 1 d . . . A 4
H53 H 0.9020 0.5021 0.4474 0.028 Uiso 1 1 calc R U . A 4
C24 C 0.6603(4) 0.36890(17) 0.75222(18) 0.0313(10) Uani 1 1 d . . . A 4
H24 H 0.5917 0.3608 0.7754 0.038 Uiso 1 1 calc R U . A 4
C30 C 0.4875(4) 0.6551(2) 0.86945(16) 0.0309(10) Uani 1 1 d . . . A 4
H30 H 0.4507 0.6235 0.8902 0.037 Uiso 1 1 calc R U . A 4
C3 C 0.9742(4) 0.71652(17) 0.76039(15) 0.0253(9) Uani 1 1 d . . . A 4
H3 H 0.9986 0.7312 0.7975 0.030 Uiso 1 1 calc R U . A 4
C27 C 0.8581(4) 0.39069(18) 0.68366(17) 0.0335(10) Uani 1 1 d . . . A 4
H27 H 0.9255 0.3986 0.6598 0.040 Uiso 1 1 calc R U . A 4
C64 C 0.6430(4) 0.65650(15) 0.41293(14) 0.0229(8) Uani 1 1 d . . . A 4
H64 H 0.6888 0.6364 0.3852 0.027 Uiso 1 1 calc R U . A 4
C58 C 1.0635(4) 0.48883(18) 0.56132(17) 0.0286(9) Uani 1 1 d . . . A 4
H58 H 1.0707 0.5298 0.5727 0.034 Uiso 1 1 calc R U . A 4
C28 C 0.8197(4) 0.43470(16) 0.72098(15) 0.0253(8) Uani 1 1 d . . . A 4
H28 H 0.8633 0.4719 0.7230 0.030 Uiso 1 1 calc R U . A 4
C20 C 0.5321(4) 0.46911(17) 0.80565(15) 0.0223(8) Uani 1 1 d . . . A 4
H20A H 0.4879 0.4618 0.7708 0.027 Uiso 1 1 calc R U . A 4
H20B H 0.5131 0.4354 0.8310 0.027 Uiso 1 1 calc R U . A 4
C52 C 0.4666(5) 0.36830(18) 0.52844(16) 0.0342(11) Uani 1 1 d . . . A 4
H52 H 0.3869 0.3839 0.5368 0.041 Uiso 1 1 calc R U . A 4
C42 C 0.4718(4) 0.63871(16) 0.64978(14) 0.0204(8) Uani 1 1 d . . . A 4
H42 H 0.5437 0.6226 0.6667 0.024 Uiso 1 1 calc R U . A 4
C33 C 0.5897(4) 0.74865(18) 0.80914(17) 0.0321(10) Uani 1 1 d . . . A 4
H33 H 0.6241 0.7807 0.7882 0.039 Uiso 1 1 calc R U . A 4
C4 C 1.0935(4) 0.71165(19) 0.72723(16) 0.0273(9) Uani 1 1 d . . . A 4
H4A H 1.0756 0.6978 0.6896 0.033 Uiso 1 1 calc R U . A 4
H4B H 1.1356 0.7514 0.7253 0.033 Uiso 1 1 calc R U . A 4
C45 C 0.2630(4) 0.68762(16) 0.60041(15) 0.0268(8) Uani 1 1 d . . . A 4
H45 H 0.1919 0.7042 0.5832 0.032 Uiso 1 1 calc R U . A 4
C46 C 0.2931(4) 0.62665(16) 0.59297(15) 0.0236(8) Uani 1 1 d . . . A 4
H46 H 0.2416 0.6018 0.5709 0.028 Uiso 1 1 calc R U . A 4
C1 C 0.8666(3) 0.63247(17) 0.83829(14) 0.0195(8) Uani 1 1 d . . . A 4
H1A H 0.9355 0.6336 0.8649 0.023 Uiso 1 1 calc R U . A 4
H1B H 0.8126 0.6678 0.8451 0.023 Uiso 1 1 calc R U . A 4
C5 C 1.1738(4) 0.66600(19) 0.75678(17) 0.0339(10) Uani 1 1 d . . . A 4
H5A H 1.2045 0.6833 0.7915 0.041 Uiso 1 1 calc R U . A 4
H5B H 1.2459 0.6550 0.7339 0.041 Uiso 1 1 calc R U . A 4
C48 C 0.6844(5) 0.36429(17) 0.54430(16) 0.0346(10) Uani 1 1 d . . . A 4
H48 H 0.7555 0.3767 0.5642 0.042 Uiso 1 1 calc R U . A 4
C26 C 0.7974(5) 0.33525(18) 0.68165(18) 0.0367(11) Uani 1 1 d . . . A 4
H26 H 0.8233 0.3051 0.6565 0.044 Uiso 1 1 calc R U . A 4
C7 C 0.8815(4) 0.76129(17) 0.73865(18) 0.0300(9) Uani 1 1 d . . . A 4
C54 C 1.0057(4) 0.57819(18) 0.46396(15) 0.0282(9) Uani 1 1 d . . . A 4
H54A H 1.0480 0.5965 0.4958 0.034 Uiso 1 1 calc R U . A 4
H54B H 1.0688 0.5666 0.4365 0.034 Uiso 1 1 calc R U . A 4
C25 C 0.7004(4) 0.32441(18) 0.7159(2) 0.0376(11) Uani 1 1 d . . . A 4
H25 H 0.6599 0.2863 0.7150 0.045 Uiso 1 1 calc R U . A 4
C61 C 1.0440(5) 0.36980(19) 0.52981(19) 0.0376(11) Uani 1 1 d . . . A 4
H61 H 1.0371 0.3288 0.5186 0.045 Uiso 1 1 calc R U . A 4
C59 C 1.1215(4) 0.4436(2) 0.59112(17) 0.0335(10) Uani 1 1 d . . . A 4
H59 H 1.1676 0.4537 0.6229 0.040 Uiso 1 1 calc R U . A 4
C55 C 0.9130(4) 0.62242(18) 0.43939(15) 0.0272(9) Uani 1 1 d . . . A 4
H55A H 0.8778 0.6058 0.4052 0.033 Uiso 1 1 calc R U . A 4
H55B H 0.9538 0.6614 0.4310 0.033 Uiso 1 1 calc R U . A 4
C8 C 0.8107(4) 0.74988(17) 0.69242(17) 0.0301(9) Uani 1 1 d . . . A 4
H8 H 0.8170 0.7118 0.6747 0.036 Uiso 1 1 calc R U . A 4
C68 C 0.6197(4) 0.68861(16) 0.50599(16) 0.0265(9) Uani 1 1 d . . . A 4
H68 H 0.6499 0.6910 0.5424 0.032 Uiso 1 1 calc R U . A 4
C32 C 0.5411(5) 0.7600(2) 0.86020(18) 0.0434(13) Uani 1 1 d . . . A 4
H32 H 0.5436 0.7998 0.8749 0.052 Uiso 1 1 calc R U . A 4
C65 C 0.5289(4) 0.68193(17) 0.40026(17) 0.0292(9) Uani 1 1 d . . . A 4
H65 H 0.4980 0.6797 0.3640 0.035 Uiso 1 1 calc R U . A 4
C2 C 0.7929(4) 0.57439(16) 0.84553(13) 0.0212(8) Uani 1 1 d . . . A 4
H2A H 0.7330 0.5795 0.8758 0.025 Uiso 1 1 calc R U . A 4
H2B H 0.8497 0.5410 0.8553 0.025 Uiso 1 1 calc R U . A 4
C66 C 0.4605(4) 0.71031(18) 0.44022(19) 0.0360(10) Uani 1 1 d . . . A 4
H66 H 0.3826 0.7278 0.4315 0.043 Uiso 1 1 calc R U . A 4
C62 C 0.9846(4) 0.41432(18) 0.50023(17) 0.0323(10) Uani 1 1 d . . . A 4
H62 H 0.9360 0.4036 0.4694 0.039 Uiso 1 1 calc R U . A 4
C12 C 0.8701(5) 0.8176(2) 0.7635(2) 0.0513(14) Uani 1 1 d . . . A 4
H12 H 0.9169 0.8262 0.7954 0.062 Uiso 1 1 calc R U . A 4
C31 C 0.4891(5) 0.7137(2) 0.88965(17) 0.0437(13) Uani 1 1 d . . . A 4
H31 H 0.4537 0.7220 0.9244 0.052 Uiso 1 1 calc R U . A 4
C50 C 0.5957(7) 0.3045(2) 0.47277(18) 0.0566(19) Uani 1 1 d . . . A 4
H50 H 0.6045 0.2763 0.4437 0.068 Uiso 1 1 calc R U . A 4
C67 C 0.5056(5) 0.71334(18) 0.49340(18) 0.0339(10) Uani 1 1 d . . . A 4
H67 H 0.4580 0.7324 0.5211 0.041 Uiso 1 1 calc R U . A 4
C10 C 0.7222(5) 0.8495(2) 0.6972(3) 0.0660(19) Uani 1 1 d . . . A 4
H10 H 0.6682 0.8797 0.6832 0.079 Uiso 1 1 calc R U . A 4
C51 C 0.4808(6) 0.32632(19) 0.48598(18) 0.0478(15) Uani 1 1 d . . . A 4
H51 H 0.4103 0.3129 0.4662 0.057 Uiso 1 1 calc R U . A 4
C9 C 0.7304(4) 0.7936(2) 0.6718(2) 0.0446(12) Uani 1 1 d . . . A 4
H9 H 0.6815 0.7851 0.6404 0.054 Uiso 1 1 calc R U . A 4
C11 C 0.7923(6) 0.8610(2) 0.7427(3) 0.071(2) Uani 1 1 d . . . A 4
H11 H 0.7872 0.8994 0.7600 0.086 Uiso 1 1 calc R U . A 4
C49 C 0.6972(7) 0.32304(18) 0.50124(19) 0.0521(16) Uani 1 1 d . . . A 4
H49 H 0.7767 0.3080 0.4919 0.063 Uiso 1 1 calc R U . A 4
C14 C 1.1047(3) 0.50958(12) 0.81567(14) 0.0521(14) Uani 1 1 d G U . A 4
H14 H 1.0714 0.4922 0.7834 0.063 Uiso 1 1 calc R U . A 4
C13 C 1.1273(3) 0.57142(11) 0.81807(9) 0.0268(9) Uani 1 1 d G U . A 4
C18 C 1.1761(3) 0.59687(11) 0.86535(11) 0.0344(10) Uani 1 1 d G U . A 4
H18 H 1.1916 0.6391 0.8670 0.041 Uiso 1 1 calc R U . A 4
C17 C 1.2023(3) 0.56049(18) 0.91022(9) 0.0614(16) Uani 1 1 d G U . A 4
H17 H 1.2356 0.5779 0.9425 0.074 Uiso 1 1 calc R U . A 4
C16 C 1.1797(3) 0.49866(17) 0.90782(14) 0.085(2) Uani 1 1 d G U . A 4
H16 H 1.1975 0.4738 0.9385 0.101 Uiso 1 1 calc R U . A 4
C15 C 1.1309(3) 0.47320(10) 0.86055(18) 0.080(2) Uani 1 1 d G U . A 4
H15 H 1.1154 0.4309 0.8589 0.096 Uiso 1 1 calc R U . A 4
H1 H 0.711(5) 0.546(2) 0.6722(19) 0.056(15) Uiso 1 1 d . . . B 4


_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
Rh01 P2 2.1656(9) . ?
Rh01 P1 2.2055(10) . ?
Rh01 Cl03 2.4018(8) . ?
Rh01 Rh02 2.8136(3) . ?
Rh01 H1 1.68(5) . ?
Rh02 P3 2.1559(10) . ?
Rh02 P4 2.1886(8) . ?
Rh02 Cl03 2.3895(9) . ?
Rh02 H1 1.77(5) . ?
P3 C35 1.842(3) . ?
P3 C37 1.854(4) . ?
P3 C40 1.888(3) . ?
P2 C2 1.867(4) . ?
P2 C22 1.869(4) . ?
P2 C19 1.893(3) . ?
P1 C1 1.832(4) . ?
P1 C3 1.858(4) . ?
P1 C6 1.886(4) . ?
P4 C36 1.841(4) . ?
P4 C53 1.879(4) . ?
P4 C56 1.881(3) . ?
C22 C29 1.517(5) . ?
C22 C21 1.519(5) . ?
C22 H22 1.0000 . ?
C29 C34 1.383(5) . ?
C29 C30 1.396(5) . ?
C47 C48 1.389(7) . ?
C47 C52 1.392(6) . ?
C47 C40 1.509(5) . ?
C40 C39 1.544(5) . ?
C40 H40 1.0000 . ?
C38 C37 1.531(5) . ?
C38 C39 1.535(5) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C43 C44 1.384(6) . ?
C43 C42 1.392(5) . ?
C43 H43 0.9500 . ?
C56 C63 1.496(6) . ?
C56 C55 1.529(5) . ?
C56 H56 1.0000 . ?
C63 C64 1.395(5) . ?
C63 C68 1.403(5) . ?
C23 C24 1.394(5) . ?
C23 C28 1.395(5) . ?
C23 C19 1.512(5) . ?
C6 C13 1.526(4) . ?
C6 C5 1.542(5) . ?
C6 H6 1.0000 . ?
C37 C41 1.516(5) . ?
C37 H37 1.0000 . ?
C44 C45 1.372(5) . ?
C44 H44 0.9500 . ?
C34 C33 1.389(5) . ?
C34 H34 0.9500 . ?
C41 C42 1.387(5) . ?
C41 C46 1.392(5) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C60 C61 1.367(7) . ?
C60 C59 1.381(6) . ?
C60 H60 0.9500 . ?
C57 C58 1.383(6) . ?
C57 C62 1.393(5) . ?
C57 C53 1.508(5) . ?
C19 C20 1.542(5) . ?
C19 H19 1.0000 . ?
C35 C36 1.524(5) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C21 C20 1.521(5) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C53 C54 1.542(5) . ?
C53 H53 1.0000 . ?
C24 C25 1.395(6) . ?
C24 H24 0.9500 . ?
C30 C31 1.388(6) . ?
C30 H30 0.9500 . ?
C3 C7 1.505(6) . ?
C3 C4 1.527(5) . ?
C3 H3 1.0000 . ?
C27 C26 1.392(6) . ?
C27 C28 1.398(5) . ?
C27 H27 0.9500 . ?
C64 C65 1.391(6) . ?
C64 H64 0.9500 . ?
C58 C59 1.388(6) . ?
C58 H58 0.9500 . ?
C28 H28 0.9500 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C52 C51 1.401(6) . ?
C52 H52 0.9500 . ?
C42 H42 0.9500 . ?
C33 C32 1.378(6) . ?
C33 H33 0.9500 . ?
C4 C5 1.515(6) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C45 C46 1.398(5) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C1 C2 1.521(5) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C48 C49 1.400(6) . ?
C48 H48 0.9500 . ?
C26 C25 1.363(7) . ?
C26 H26 0.9500 . ?
C7 C8 1.389(6) . ?
C7 C12 1.391(6) . ?
C54 C55 1.524(6) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C25 H25 0.9500 . ?
C61 C62 1.380(6) . ?
C61 H61 0.9500 . ?
C59 H59 0.9500 . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C8 C9 1.394(6) . ?
C8 H8 0.9500 . ?
C68 C67 1.384(6) . ?
C68 H68 0.9500 . ?
C32 C31 1.372(7) . ?
C32 H32 0.9500 . ?
C65 C66 1.377(6) . ?
C65 H65 0.9500 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C66 C67 1.391(6) . ?
C66 H66 0.9500 . ?
C62 H62 0.9500 . ?
C12 C11 1.373(8) . ?
C12 H12 0.9500 . ?
C31 H31 0.9500 . ?
C50 C49 1.363(9) . ?
C50 C51 1.371(9) . ?
C50 H50 0.9500 . ?
C67 H67 0.9500 . ?
C10 C11 1.369(9) . ?
C10 C9 1.388(7) . ?
C10 H10 0.9500 . ?
C51 H51 0.9500 . ?
C9 H9 0.9500 . ?
C11 H11 0.9500 . ?
C49 H49 0.9500 . ?
C14 C13 1.3900 . ?
C14 C15 1.3900 . ?
C14 H14 0.9500 . ?
C13 C18 1.3900 . ?
C18 C17 1.3900 . ?
C18 H18 0.9500 . ?
C17 C16 1.3900 . ?
C17 H17 0.9500 . ?
C16 C15 1.3900 . ?
C16 H16 0.9500 . ?
C15 H15 0.9500 . ?

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
P2 Rh01 P1 86.69(3) . . ?
P2 Rh01 Cl03 172.77(3) . . ?
P1 Rh01 Cl03 95.62(3) . . ?
P2 Rh01 Rh02 123.99(3) . . ?
P1 Rh01 Rh02 149.30(3) . . ?
Cl03 Rh01 Rh02 53.84(2) . . ?
P2 Rh01 H1 87.5(17) . . ?
P1 Rh01 H1 174.1(16) . . ?
Cl03 Rh01 H1 90.0(17) . . ?
Rh02 Rh01 H1 36.5(16) . . ?
P3 Rh02 P4 85.64(3) . . ?
P3 Rh02 Cl03 173.77(3) . . ?
P4 Rh02 Cl03 97.82(3) . . ?
P3 Rh02 Rh01 122.14(3) . . ?
P4 Rh02 Rh01 152.06(3) . . ?
Cl03 Rh02 Rh01 54.24(2) . . ?
P3 Rh02 H1 88.8(17) . . ?
P4 Rh02 H1 172.5(15) . . ?
Cl03 Rh02 H1 88.2(17) . . ?
Rh01 Rh02 H1 34.3(17) . . ?
Rh02 Cl03 Rh01 71.92(3) . . ?
C35 P3 C37 101.35(17) . . ?
C35 P3 C40 109.70(15) . . ?
C37 P3 C40 92.65(16) . . ?
C35 P3 Rh02 111.97(13) . . ?
C37 P3 Rh02 124.59(12) . . ?
C40 P3 Rh02 114.40(12) . . ?
C2 P2 C22 103.72(16) . . ?
C2 P2 C19 100.14(16) . . ?
C22 P2 C19 93.09(16) . . ?
C2 P2 Rh01 110.40(12) . . ?
C22 P2 Rh01 121.55(11) . . ?
C19 P2 Rh01 124.23(12) . . ?
C1 P1 C3 103.84(17) . . ?
C1 P1 C6 109.67(17) . . ?
C3 P1 C6 92.41(19) . . ?
C1 P1 Rh01 111.27(12) . . ?
C3 P1 Rh01 123.88(13) . . ?
C6 P1 Rh01 113.87(12) . . ?
C36 P4 C53 100.56(17) . . ?
C36 P4 C56 107.60(17) . . ?
C53 P4 C56 93.12(17) . . ?
C36 P4 Rh02 111.93(12) . . ?
C53 P4 Rh02 125.07(12) . . ?
C56 P4 Rh02 115.89(11) . . ?
C29 C22 C21 117.3(3) . . ?
C29 C22 P2 111.9(2) . . ?
C21 C22 P2 105.4(2) . . ?
C29 C22 H22 107.3 . . ?
C21 C22 H22 107.3 . . ?
P2 C22 H22 107.3 . . ?
C34 C29 C30 118.6(4) . . ?
C34 C29 C22 119.7(3) . . ?
C30 C29 C22 121.7(4) . . ?
C48 C47 C52 118.2(4) . . ?
C48 C47 C40 119.0(4) . . ?
C52 C47 C40 122.7(4) . . ?
C47 C40 C39 118.0(3) . . ?
C47 C40 P3 113.5(2) . . ?
C39 C40 P3 106.0(2) . . ?
C47 C40 H40 106.2 . . ?
C39 C40 H40 106.2 . . ?
P3 C40 H40 106.2 . . ?
C37 C38 C39 105.4(3) . . ?
C37 C38 H38A 110.7 . . ?
C39 C38 H38A 110.7 . . ?
C37 C38 H38B 110.7 . . ?
C39 C38 H38B 110.7 . . ?
H38A C38 H38B 108.8 . . ?
C44 C43 C42 120.5(4) . . ?
C44 C43 H43 119.7 . . ?
C42 C43 H43 119.7 . . ?
C63 C56 C55 119.8(3) . . ?
C63 C56 P4 111.9(3) . . ?
C55 C56 P4 105.6(2) . . ?
C63 C56 H56 106.2 . . ?
C55 C56 H56 106.2 . . ?
P4 C56 H56 106.2 . . ?
C64 C63 C68 118.0(4) . . ?
C64 C63 C56 123.1(3) . . ?
C68 C63 C56 118.8(3) . . ?
C24 C23 C28 117.3(4) . . ?
C24 C23 C19 120.0(3) . . ?
C28 C23 C19 122.7(3) . . ?
C13 C6 C5 117.5(3) . . ?
C13 C6 P1 113.1(2) . . ?
C5 C6 P1 106.3(3) . . ?
C13 C6 H6 106.4 . . ?
C5 C6 H6 106.4 . . ?
P1 C6 H6 106.4 . . ?
C41 C37 C38 116.8(3) . . ?
C41 C37 P3 117.5(3) . . ?
C38 C37 P3 102.0(2) . . ?
C41 C37 H37 106.5 . . ?
C38 C37 H37 106.5 . . ?
P3 C37 H37 106.5 . . ?
C45 C44 C43 120.1(3) . . ?
C45 C44 H44 120.0 . . ?
C43 C44 H44 120.0 . . ?
C29 C34 C33 121.1(4) . . ?
C29 C34 H34 119.5 . . ?
C33 C34 H34 119.5 . . ?
C42 C41 C46 119.1(3) . . ?
C42 C41 C37 122.2(3) . . ?
C46 C41 C37 118.7(3) . . ?
C38 C39 C40 108.5(3) . . ?
C38 C39 H39A 110.0 . . ?
C40 C39 H39A 110.0 . . ?
C38 C39 H39B 110.0 . . ?
C40 C39 H39B 110.0 . . ?
H39A C39 H39B 108.4 . . ?
C61 C60 C59 119.1(4) . . ?
C61 C60 H60 120.5 . . ?
C59 C60 H60 120.5 . . ?
C58 C57 C62 118.2(4) . . ?
C58 C57 C53 122.4(3) . . ?
C62 C57 C53 119.3(4) . . ?
C23 C19 C20 113.6(3) . . ?
C23 C19 P2 118.9(2) . . ?
C20 C19 P2 105.7(2) . . ?
C23 C19 H19 105.9 . . ?
C20 C19 H19 105.9 . . ?
P2 C19 H19 105.9 . . ?
C36 C35 P3 109.4(3) . . ?
C36 C35 H35A 109.8 . . ?
P3 C35 H35A 109.8 . . ?
C36 C35 H35B 109.8 . . ?
P3 C35 H35B 109.8 . . ?
H35A C35 H35B 108.2 . . ?
C35 C36 P4 109.7(2) . . ?
C35 C36 H36A 109.7 . . ?
P4 C36 H36A 109.7 . . ?
C35 C36 H36B 109.7 . . ?
P4 C36 H36B 109.7 . . ?
H36A C36 H36B 108.2 . . ?
C22 C21 C20 107.0(3) . . ?
C22 C21 H21A 110.3 . . ?
C20 C21 H21A 110.3 . . ?
C22 C21 H21B 110.3 . . ?
C20 C21 H21B 110.3 . . ?
H21A C21 H21B 108.6 . . ?
C57 C53 C54 117.5(3) . . ?
C57 C53 P4 114.9(3) . . ?
C54 C53 P4 104.3(3) . . ?
C57 C53 H53 106.5 . . ?
C54 C53 H53 106.5 . . ?
P4 C53 H53 106.5 . . ?
C23 C24 C25 121.4(4) . . ?
C23 C24 H24 119.3 . . ?
C25 C24 H24 119.3 . . ?
C31 C30 C29 119.7(4) . . ?
C31 C30 H30 120.1 . . ?
C29 C30 H30 120.1 . . ?
C7 C3 C4 114.9(3) . . ?
C7 C3 P1 119.3(3) . . ?
C4 C3 P1 102.5(3) . . ?
C7 C3 H3 106.4 . . ?
C4 C3 H3 106.4 . . ?
P1 C3 H3 106.4 . . ?
C26 C27 C28 119.7(4) . . ?
C26 C27 H27 120.1 . . ?
C28 C27 H27 120.1 . . ?
C65 C64 C63 121.0(4) . . ?
C65 C64 H64 119.5 . . ?
C63 C64 H64 119.5 . . ?
C57 C58 C59 120.6(4) . . ?
C57 C58 H58 119.7 . . ?
C59 C58 H58 119.7 . . ?
C23 C28 C27 121.3(4) . . ?
C23 C28 H28 119.4 . . ?
C27 C28 H28 119.4 . . ?
C21 C20 C19 108.8(3) . . ?
C21 C20 H20A 109.9 . . ?
C19 C20 H20A 109.9 . . ?
C21 C20 H20B 109.9 . . ?
C19 C20 H20B 109.9 . . ?
H20A C20 H20B 108.3 . . ?
C47 C52 C51 120.2(5) . . ?
C47 C52 H52 119.9 . . ?
C51 C52 H52 119.9 . . ?
C41 C42 C43 120.0(4) . . ?
C41 C42 H42 120.0 . . ?
C43 C42 H42 120.0 . . ?
C32 C33 C34 119.8(4) . . ?
C32 C33 H33 120.1 . . ?
C34 C33 H33 120.1 . . ?
C5 C4 C3 106.1(3) . . ?
C5 C4 H4A 110.5 . . ?
C3 C4 H4A 110.5 . . ?
C5 C4 H4B 110.5 . . ?
C3 C4 H4B 110.5 . . ?
H4A C4 H4B 108.7 . . ?
C44 C45 C46 119.7(4) . . ?
C44 C45 H45 120.1 . . ?
C46 C45 H45 120.1 . . ?
C41 C46 C45 120.7(4) . . ?
C41 C46 H46 119.7 . . ?
C45 C46 H46 119.7 . . ?
C2 C1 P1 109.6(2) . . ?
C2 C1 H1A 109.8 . . ?
P1 C1 H1A 109.8 . . ?
C2 C1 H1B 109.8 . . ?
P1 C1 H1B 109.8 . . ?
H1A C1 H1B 108.2 . . ?
C4 C5 C6 107.8(3) . . ?
C4 C5 H5A 110.1 . . ?
C6 C5 H5A 110.1 . . ?
C4 C5 H5B 110.1 . . ?
C6 C5 H5B 110.1 . . ?
H5A C5 H5B 108.5 . . ?
C47 C48 C49 120.9(5) . . ?
C47 C48 H48 119.5 . . ?
C49 C48 H48 119.5 . . ?
C25 C26 C27 119.7(4) . . ?
C25 C26 H26 120.1 . . ?
C27 C26 H26 120.1 . . ?
C8 C7 C12 118.0(4) . . ?
C8 C7 C3 122.4(3) . . ?
C12 C7 C3 119.6(4) . . ?
C55 C54 C53 105.9(3) . . ?
C55 C54 H54A 110.5 . . ?
C53 C54 H54A 110.5 . . ?
C55 C54 H54B 110.5 . . ?
C53 C54 H54B 110.5 . . ?
H54A C54 H54B 108.7 . . ?
C26 C25 C24 120.5(4) . . ?
C26 C25 H25 119.8 . . ?
C24 C25 H25 119.8 . . ?
C60 C61 C62 120.9(4) . . ?
C60 C61 H61 119.5 . . ?
C62 C61 H61 119.5 . . ?
C60 C59 C58 120.5(4) . . ?
C60 C59 H59 119.7 . . ?
C58 C59 H59 119.7 . . ?
C54 C55 C56 106.8(3) . . ?
C54 C55 H55A 110.4 . . ?
C56 C55 H55A 110.4 . . ?
C54 C55 H55B 110.4 . . ?
C56 C55 H55B 110.4 . . ?
H55A C55 H55B 108.6 . . ?
C7 C8 C9 120.8(4) . . ?
C7 C8 H8 119.6 . . ?
C9 C8 H8 119.6 . . ?
C67 C68 C63 120.9(4) . . ?
C67 C68 H68 119.6 . . ?
C63 C68 H68 119.6 . . ?
C31 C32 C33 119.7(4) . . ?
C31 C32 H32 120.1 . . ?
C33 C32 H32 120.1 . . ?
C66 C65 C64 120.2(4) . . ?
C66 C65 H65 119.9 . . ?
C64 C65 H65 119.9 . . ?
C1 C2 P2 110.9(2) . . ?
C1 C2 H2A 109.5 . . ?
P2 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
P2 C2 H2B 109.5 . . ?
H2A C2 H2B 108.0 . . ?
C65 C66 C67 119.9(4) . . ?
C65 C66 H66 120.1 . . ?
C67 C66 H66 120.1 . . ?
C61 C62 C57 120.6(4) . . ?
C61 C62 H62 119.7 . . ?
C57 C62 H62 119.7 . . ?
C11 C12 C7 121.2(6) . . ?
C11 C12 H12 119.4 . . ?
C7 C12 H12 119.4 . . ?
C32 C31 C30 121.0(4) . . ?
C32 C31 H31 119.5 . . ?
C30 C31 H31 119.5 . . ?
C49 C50 C51 120.2(4) . . ?
C49 C50 H50 119.9 . . ?
C51 C50 H50 119.9 . . ?
C68 C67 C66 120.1(4) . . ?
C68 C67 H67 119.9 . . ?
C66 C67 H67 119.9 . . ?
C11 C10 C9 119.7(5) . . ?
C11 C10 H10 120.2 . . ?
C9 C10 H10 120.2 . . ?
C50 C51 C52 120.5(5) . . ?
C50 C51 H51 119.8 . . ?
C52 C51 H51 119.8 . . ?
C10 C9 C8 119.6(5) . . ?
C10 C9 H9 120.2 . . ?
C8 C9 H9 120.2 . . ?
C10 C11 C12 120.7(5) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C50 C49 C48 120.0(6) . . ?
C50 C49 H49 120.0 . . ?
C48 C49 H49 120.0 . . ?
C13 C14 C15 120.0 . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C14 C13 C18 120.0 . . ?
C14 C13 C6 117.9(2) . . ?
C18 C13 C6 122.0(2) . . ?
C17 C18 C13 120.0 . . ?
C17 C18 H18 120.0 . . ?
C13 C18 H18 120.0 . . ?
C18 C17 C16 120.0 . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C15 C16 C17 120.0 . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
C16 C15 C14 120.0 . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?

_refine_diff_density_max         0.605
_refine_diff_density_min         -0.355
_refine_diff_density_rms         0.067


_chemical_properties_physical    Air-sensitive,Moisture-sensitive,Hygroscopic
