# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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_LD33E_g_b
_database_code_depnum_ccdc_archive 'CCDC 2126160'
loop_
_audit_author_name
_audit_author_address
'Huw Jenkins'
;University of York
United Kingdom
;
_audit_update_record             
;
2021-12-03 deposited with the CCDC.	2022-02-03 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_THETM01_LD33E_g_b           
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: Data were truncated to a resolution of 0.95 angstrom due to poor data  quality beyond this threshold.
;
_vrf_RINTA01_LD33E_g_b           
;
PROBLEM: The value of Rint is greater than 0.18
RESPONSE: Data from 4 crystals were merged. High Rint values are normal for electron diffraction data.
;
_vrf_PLAT020_LD33E_g_b           
;
PROBLEM: The Value of Rint is Greater Than 0.12 .........      0.235 Report
RESPONSE: Data from 4 crystals were merged. High Rint values are normal for electron diffraction data.
;
_vrf_PLAT082_LD33E_g_b           
;
PROBLEM: High R1 Value ..................................       0.16 Report
RESPONSE: This is normal for kinematic refinement against electron diffraction data.
;
_vrf_PLAT084_LD33E_g_b           
;
PROBLEM: High wR2 Value (i.e. > 0.25) ...................       0.36 Report
RESPONSE: This is normal for kinematic refinement against electron diffraction data.
;
# Added during the CSD deposition process: Friday 03 December 2021 05:02 PM
# end Validation Reply Form


_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C33 H56 P2 Rh, C24 H12 B F40 S8'
_chemical_formula_sum            'C57 H68 B F40 P2 Rh S8'
_chemical_formula_weight         1945.25

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0000 0.0000 'International Tables Vol C Tables 4.3.1.1 and 4.3.2.2'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.3.1.1 and 4.3.2.2'
B B 0.0000 0.0000 'International Tables Vol C Tables 4.3.1.1 and 4.3.2.2'
F F 0.0000 0.0000 'International Tables Vol C Tables 4.3.1.1 and 4.3.2.2'
P P 0.0000 0.0000 'International Tables Vol C Tables 4.3.1.1 and 4.3.2.2'
S S 0.0000 0.0000 'International Tables Vol C Tables 4.3.1.1 and 4.3.2.2'
Rh Rh 0.0000 0.0000 'International Tables Vol C Tables 4.3.1.1 and 4.3.2.2'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

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

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

_cell_length_a                   19.603(3)
_cell_length_b                   18.393(3)
_cell_length_c                   20.438(2)
_cell_angle_alpha                90
_cell_angle_beta                 92.355(12)
_cell_angle_gamma                90
_cell_volume                     7362.8(18)
_cell_formula_units_Z            4
_cell_measurement_temperature    80(2)
_cell_measurement_reflns_used    982
_cell_measurement_theta_min      0.064
_cell_measurement_theta_max      0.599
_exptl_crystal_description       'nano crystals'
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.755
_exptl_crystal_F_000             1261
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.0014
_exptl_crystal_size_mid          0.0005
_exptl_crystal_size_min          0.0001
_exptl_absorpt_coefficient_mu    0.000
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'electron diffraction, unknown absorption'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      80(2)
_diffrn_radiation_wavelength     0.02508
_diffrn_radiation_probe          electron
_diffrn_radiation_type           electron
_diffrn_source                   'electron microscope'
_diffrn_source_type              'Thermo Scientific Glacios'
_diffrn_measurement_device       'electron microscope'
_diffrn_measurement_device_type  'Thermo Scientific Glacios'
_diffrn_measurement_method       'profile fitting from continuous rotation'
_diffrn_detector                 CMOS
_diffrn_detector_type            'Thermo Scientific Ceta-D'
_diffrn_detector_area_resol_mean 35.7
_diffrn_reflns_number            19560
_diffrn_reflns_av_unetI/netI     0.1680
_diffrn_reflns_av_R_equivalents  0.2348
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         0.063
_diffrn_reflns_theta_max         0.758
_diffrn_reflns_theta_full        0.758
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measured_fraction_theta_full 0.966
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_Laue_measured_fraction_full 0.966
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_point_group_measured_fraction_full 0.966
_reflns_number_total             4380
_reflns_number_gt                2563
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       EPU-D
_computing_cell_refinement       'DIALS (Winter et al., 2018)'
_computing_data_reduction        'DIALS (Winter et al., 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'ShelXle (Hübschle et al., 2011)'
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)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     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       155(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         4380
_refine_ls_number_parameters     494
_refine_ls_number_restraints     585
_refine_ls_R_factor_all          0.2194
_refine_ls_R_factor_gt           0.1565
_refine_ls_wR_factor_ref         0.3584
_refine_ls_wR_factor_gt          0.3421
_refine_ls_goodness_of_fit_ref   1.718
_refine_ls_restrained_S_all      1.633
_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
S3 S 0.5914(3) 0.4114(4) 0.4498(2) 0.0401(19) Uani 1 1 d D . . . .
F3 F 0.2263(6) 0.0711(9) 0.2681(6) 0.077(4) Uani 1 1 d D . . . .
C3 C 0.4452(8) 0.4505(8) 0.7221(7) 0.057(4) Uani 1 1 d . U . . .
H3 H 0.395960 0.470724 0.699120 0.068 Uiso 1 1 calc R U . . .
S4 S 0.3173(3) 0.4050(4) 0.3731(3) 0.0411(18) Uani 1 1 d D . . . .
F4 F 0.3000(8) -0.0125(7) 0.2999(6) 0.083(4) Uani 1 1 d D . . . .
C4 C 0.500000 0.5091(12) 0.750000 0.067(7) Uani 1 2 d S TU P . .
H4A H 0.520424 0.543711 0.710829 0.080 Uiso 0.5 1 calc R U P . .
H4B H 0.479574 0.543710 0.789171 0.080 Uiso 0.5 1 calc R U P . .
F5 F 0.2378(9) 0.0408(11) 0.3687(7) 0.112(6) Uani 1 1 d D . . . .
C5 C 0.4939(7) 0.1310(7) 0.7112(5) 0.048(4) Uani 1 1 d . . . . .
H5A H 0.439038 0.121019 0.698646 0.057 Uiso 1 1 calc R U . . .
H5B H 0.523982 0.086668 0.689550 0.057 Uiso 1 1 calc R U . . .
F6 F 0.2977(5) 0.0711(7) 0.0633(5) 0.049(3) Uani 1 1 d D . . . .
C6 C 0.6103(6) 0.2039(9) 0.6506(6) 0.056(4) Uani 1 1 d . U . . .
H6 H 0.614837 0.148160 0.629186 0.067 Uiso 1 1 calc R U . . .
F7 F 0.3740(6) -0.0134(6) 0.0898(6) 0.054(3) Uani 1 1 d D . . . .
C7 C 0.6579(7) 0.2101(9) 0.7121(6) 0.059(5) Uani 1 1 d . U . . .
H7A H 0.644706 0.167622 0.747973 0.071 Uiso 1 1 calc R U . . .
H7B H 0.651322 0.264087 0.735280 0.071 Uiso 1 1 calc R U . . .
F8 F 0.4565(6) 0.0607(7) 0.0628(5) 0.055(3) Uani 1 1 d D . . . .
C8 C 0.7352(7) 0.2003(10) 0.6922(6) 0.068(5) Uani 1 1 d . U . . .
H8A H 0.769985 0.206655 0.736048 0.082 Uiso 1 1 calc R U . . .
H8B H 0.742669 0.145139 0.671683 0.082 Uiso 1 1 calc R U . . .
F9 F 0.3801(6) 0.1472(6) 0.0370(4) 0.049(3) Uani 1 1 d D . . . .
C9 C 0.7510(7) 0.2569(9) 0.6420(6) 0.059(5) Uani 1 1 d . U . . .
H9A H 0.745830 0.312078 0.663257 0.071 Uiso 1 1 calc R U . . .
H9B H 0.804260 0.250275 0.626511 0.071 Uiso 1 1 calc R U . . .
F10 F 0.3719(7) 0.0407(8) -0.0045(5) 0.068(4) Uani 1 1 d D . . . .
C10 C 0.7034(7) 0.2485(9) 0.5855(6) 0.061(5) Uani 1 1 d . U . . .
H10A H 0.709541 0.193046 0.565065 0.073 Uiso 1 1 calc R U . . .
H10B H 0.717399 0.287918 0.547187 0.073 Uiso 1 1 calc R U . . .
F11 F 0.6236(6) 0.3336(6) 0.4601(5) 0.044(3) Uani 1 1 d D . . . .
Rh1 Rh 0.500000 0.3096(2) 0.750000 0.0372(14) Uani 1 2 d S T P . .
S1 S 0.2886(4) 0.0683(4) 0.3186(3) 0.066(2) Uani 1 1 d D . . . .
P1 P 0.5195(3) 0.2185(4) 0.6774(2) 0.032(2) Uani 1 1 d . . . . .
F1 F 0.3487(7) 0.0618(9) 0.3713(6) 0.087(4) Uani 1 1 d D . . . .
C1 C 0.5569(8) 0.4059(8) 0.7124(6) 0.058(5) Uani 1 1 d . U . . .
H1 H 0.605415 0.399233 0.685963 0.070 Uiso 1 1 calc R U . . .
C11 C 0.6284(6) 0.2597(8) 0.6001(6) 0.049(4) Uani 1 1 d . U . . .
H11A H 0.620247 0.315372 0.619175 0.059 Uiso 1 1 calc R U . . .
H11B H 0.595800 0.252454 0.554818 0.059 Uiso 1 1 calc R U . . .
F12 F 0.6351(6) 0.4261(7) 0.3880(5) 0.048(3) Uani 1 1 d D . . . .
C12 C 0.4685(6) 0.2272(8) 0.6003(5) 0.038(4) Uani 1 1 d . U . . .
H12 H 0.487750 0.276865 0.575275 0.046 Uiso 1 1 calc R U . . .
F13 F 0.5637(6) 0.4918(6) 0.4442(5) 0.054(3) Uani 1 1 d D . . . .
C13 C 0.3886(7) 0.2437(8) 0.6159(5) 0.050(4) Uani 1 1 d . U . . .
H13A H 0.364917 0.195155 0.637899 0.060 Uiso 1 1 calc R U . . .
H13B H 0.385177 0.289888 0.650508 0.060 Uiso 1 1 calc R U . . .
F14 F 0.5509(6) 0.4024(8) 0.5138(4) 0.063(4) Uani 1 1 d D . . . .
C14 C 0.3531(7) 0.2620(9) 0.5513(6) 0.060(5) Uani 1 1 d . U . . .
H14A H 0.376906 0.311415 0.531022 0.072 Uiso 1 1 calc R U . . .
H14B H 0.298797 0.274795 0.559706 0.072 Uiso 1 1 calc R U . . .
F15 F 0.6512(6) 0.4415(7) 0.4936(6) 0.060(4) Uani 1 1 d D . . . .
C15 C 0.3563(7) 0.1991(9) 0.4998(7) 0.064(5) Uani 1 1 d . U . . .
H15A H 0.331262 0.149570 0.518653 0.077 Uiso 1 1 calc R U . . .
H15B H 0.329104 0.215420 0.453416 0.077 Uiso 1 1 calc R U . . .
F16 F 0.3077(6) 0.4131(7) 0.2975(4) 0.050(3) Uani 1 1 d D . . . .
C16 C 0.4331(7) 0.1830(9) 0.4874(6) 0.062(5) Uani 1 1 d . U . . .
H16A H 0.436394 0.136336 0.453199 0.074 Uiso 1 1 calc R U . . .
H16B H 0.456028 0.231039 0.463850 0.074 Uiso 1 1 calc R U . . .
F17 F 0.2881(6) 0.3253(6) 0.3673(6) 0.056(3) Uani 1 1 d D . . . .
C17 C 0.4742(7) 0.1652(8) 0.5519(5) 0.052(4) Uani 1 1 d . U . . .
H17A H 0.454298 0.114499 0.573483 0.063 Uiso 1 1 calc R U . . .
H17B H 0.528692 0.156344 0.541281 0.063 Uiso 1 1 calc R U . . .
F18 F 0.3223(7) 0.3990(7) 0.4496(4) 0.057(3) Uani 1 1 d D . . . .
C18 C 0.4365(6) 0.1829(7) 0.2295(5) 0.033(3) Uani 1 1 d . . . . .
F19 F 0.3414(7) 0.4869(6) 0.3788(5) 0.053(3) Uani 1 1 d D . . . .
C19 C 0.3940(6) 0.1556(7) 0.2752(6) 0.038(3) Uani 1 1 d . . . . .
H19 H 0.398079 0.177402 0.325374 0.045 Uiso 1 1 calc R U . . .
F20 F 0.2446(6) 0.4338(8) 0.3752(7) 0.070(4) Uani 1 1 d D . . . .
C20 C 0.3450(7) 0.1005(8) 0.2606(5) 0.042(3) Uani 1 1 d . . . . .
C21 C 0.3399(7) 0.0730(7) 0.1969(5) 0.040(4) Uani 1 1 d . . . . .
H21 H 0.302179 0.030695 0.183540 0.049 Uiso 1 1 calc R U . . .
C22 C 0.3844(7) 0.1004(7) 0.1496(5) 0.042(3) Uani 1 1 d . . . . .
C23 C 0.4320(7) 0.1536(7) 0.1660(5) 0.035(3) Uani 1 1 d . . . . .
H23 H 0.466676 0.173205 0.128885 0.042 Uiso 1 1 calc R U . . .
C24 C 0.4831(6) 0.2934(7) 0.3120(5) 0.034(3) Uani 1 1 d . . . . .
C25 C 0.5349(6) 0.3227(7) 0.3507(5) 0.033(3) Uani 1 1 d . . . . .
H25 H 0.587990 0.305508 0.344262 0.040 Uiso 1 1 calc R U . . .
C26 C 0.5202(6) 0.3750(7) 0.3989(5) 0.037(3) Uani 1 1 d . . . . .
C27 C 0.4541(6) 0.4001(8) 0.4068(5) 0.041(3) Uani 1 1 d . . . . .
H27 H 0.443386 0.440616 0.444538 0.049 Uiso 1 1 calc R U . . .
C28 C 0.4028(7) 0.3731(8) 0.3663(5) 0.037(3) Uani 1 1 d . . . . .
C29 C 0.4152(6) 0.3204(7) 0.3196(5) 0.034(3) Uani 1 1 d . . . . .
H29 H 0.372809 0.299194 0.288289 0.041 Uiso 1 1 calc R U . . .
B1 B 0.500000 0.2378(12) 0.250000 0.032(4) Uani 1 2 d S T P . .
S2 S 0.3776(3) 0.0673(3) 0.0662(3) 0.0413(18) Uani 1 1 d D . . . .
F2 F 0.2721(7) 0.1470(7) 0.3414(5) 0.074(4) Uani 1 1 d D . . . .
C2 C 0.4933(8) 0.4022(9) 0.6795(6) 0.052(4) Uani 1 1 d . U . . .
H2 H 0.486282 0.395335 0.625196 0.062 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
S3 F15 1.549(11) . ?
S3 F14 1.565(10) . ?
S3 F11 1.575(10) . ?
S3 F13 1.578(11) . ?
S3 F12 1.580(10) . ?
S3 C26 1.833(13) . ?
F3 S1 1.567(11) . ?
C3 C1 1.571(18) 2_656 ?
C3 C2 1.584(19) . ?
C3 C4 1.609(19) . ?
C3 H3 1.1200 . ?
S4 F20 1.523(11) . ?
S4 F16 1.555(10) . ?
S4 F18 1.567(9) . ?
S4 F17 1.576(11) . ?
S4 F19 1.582(11) . ?
S4 C28 1.786(14) . ?
F4 S1 1.553(12) . ?
C4 H4A 1.1100 . ?
C4 H4B 1.1100 . ?
F5 S1 1.542(12) . ?
C5 C5 1.59(2) 2_656 ?
C5 P1 1.831(14) . ?
C5 H5A 1.1100 . ?
C5 H5B 1.1100 . ?
F6 S2 1.566(10) . ?
C6 C11 1.507(17) . ?
C6 C7 1.538(16) . ?
C6 P1 1.903(14) . ?
C6 H6 1.1200 . ?
F7 S2 1.563(11) . ?
C7 C8 1.595(18) . ?
C7 H7A 1.1100 . ?
C7 H7B 1.1100 . ?
F8 S2 1.556(11) . ?
C8 C9 1.503(18) . ?
C8 H8A 1.1100 . ?
C8 H8B 1.1100 . ?
F9 S2 1.588(10) . ?
C9 C10 1.463(16) . ?
C9 H9A 1.1100 . ?
C9 H9B 1.1100 . ?
F10 S2 1.524(10) . ?
C10 C11 1.527(18) . ?
C10 H10A 1.1100 . ?
C10 H10B 1.1100 . ?
Rh1 C2 2.231(15) . ?
Rh1 C2 2.231(15) 2_656 ?
Rh1 C1 2.246(15) . ?
Rh1 C1 2.246(15) 2_656 ?
Rh1 P1 2.280(7) . ?
Rh1 P1 2.280(7) 2_656 ?
S1 F2 1.559(12) . ?
S1 F1 1.568(12) . ?
S1 C20 1.756(13) . ?
P1 C12 1.838(12) . ?
C1 C2 1.393(18) . ?
C1 H1 1.1200 . ?
C11 H11A 1.1100 . ?
C11 H11B 1.1100 . ?
C12 C17 1.516(16) . ?
C12 C13 1.639(18) . ?
C12 H12 1.1200 . ?
C13 C14 1.504(16) . ?
C13 H13A 1.1100 . ?
C13 H13B 1.1100 . ?
C14 C15 1.568(18) . ?
C14 H14A 1.1100 . ?
C14 H14B 1.1100 . ?
C15 C16 1.566(18) . ?
C15 H15A 1.1100 . ?
C15 H15B 1.1100 . ?
C16 C17 1.552(16) . ?
C16 H16A 1.1100 . ?
C16 H16B 1.1100 . ?
C17 H17A 1.1100 . ?
C17 H17B 1.1100 . ?
C18 C19 1.373(15) . ?
C18 C23 1.404(14) . ?
C18 B1 1.643(17) . ?
C19 C20 1.420(16) . ?
C19 H19 1.1000 . ?
C20 C21 1.398(15) . ?
C21 C22 1.420(16) . ?
C21 H21 1.1000 . ?
C22 C23 1.384(16) . ?
C22 S2 1.810(12) . ?
C23 H23 1.1000 . ?
C24 C25 1.371(15) . ?
C24 C29 1.435(15) . ?
C24 B1 1.673(17) . ?
C25 C26 1.416(16) . ?
C25 H25 1.1000 . ?
C26 C27 1.390(16) . ?
C27 C28 1.369(16) . ?
C27 H27 1.1000 . ?
C28 C29 1.389(15) . ?
C29 H29 1.1000 . ?
C2 H2 1.1200 . ?

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
F15 S3 F14 87.3(7) . . ?
F15 S3 F11 87.6(7) . . ?
F14 S3 F11 90.4(7) . . ?
F15 S3 F13 87.5(8) . . ?
F14 S3 F13 88.6(7) . . ?
F11 S3 F13 175.0(7) . . ?
F15 S3 F12 88.7(7) . . ?
F14 S3 F12 175.3(8) . . ?
F11 S3 F12 91.9(7) . . ?
F13 S3 F12 88.7(7) . . ?
F15 S3 C26 179.3(8) . . ?
F14 S3 C26 92.0(7) . . ?
F11 S3 C26 92.0(7) . . ?
F13 S3 C26 92.9(7) . . ?
F12 S3 C26 91.9(6) . . ?
C1 C3 C2 102.3(11) 2_656 . ?
C1 C3 C4 95.1(10) 2_656 . ?
C2 C3 C4 99.6(11) . . ?
C1 C3 H3 118.6 2_656 . ?
C2 C3 H3 118.6 . . ?
C4 C3 H3 118.6 . . ?
F20 S4 F16 85.4(7) . . ?
F20 S4 F18 90.9(8) . . ?
F16 S4 F18 176.3(8) . . ?
F20 S4 F17 89.3(8) . . ?
F16 S4 F17 89.1(7) . . ?
F18 S4 F17 91.0(7) . . ?
F20 S4 F19 86.8(8) . . ?
F16 S4 F19 90.4(7) . . ?
F18 S4 F19 89.2(7) . . ?
F17 S4 F19 176.1(8) . . ?
F20 S4 C28 177.1(7) . . ?
F16 S4 C28 91.8(6) . . ?
F18 S4 C28 91.9(6) . . ?
F17 S4 C28 91.6(7) . . ?
F19 S4 C28 92.3(7) . . ?
C3 C4 C3 95.9(16) 2_656 . ?
C3 C4 H4A 112.6 2_656 . ?
C3 C4 H4A 112.6 . . ?
C3 C4 H4B 112.6 2_656 . ?
C3 C4 H4B 112.6 . . ?
H4A C4 H4B 110.1 . . ?
C5 C5 P1 110.1(6) 2_656 . ?
C5 C5 H5A 109.6 2_656 . ?
P1 C5 H5A 109.6 . . ?
C5 C5 H5B 109.6 2_656 . ?
P1 C5 H5B 109.6 . . ?
H5A C5 H5B 108.2 . . ?
C11 C6 C7 111.0(12) . . ?
C11 C6 P1 110.5(10) . . ?
C7 C6 P1 107.3(9) . . ?
C11 C6 H6 109.4 . . ?
C7 C6 H6 109.4 . . ?
P1 C6 H6 109.4 . . ?
C6 C7 C8 109.5(10) . . ?
C6 C7 H7A 109.8 . . ?
C8 C7 H7A 109.8 . . ?
C6 C7 H7B 109.8 . . ?
C8 C7 H7B 109.8 . . ?
H7A C7 H7B 108.2 . . ?
C9 C8 C7 108.7(12) . . ?
C9 C8 H8A 110.0 . . ?
C7 C8 H8A 110.0 . . ?
C9 C8 H8B 110.0 . . ?
C7 C8 H8B 110.0 . . ?
H8A C8 H8B 108.3 . . ?
C10 C9 C8 108.8(13) . . ?
C10 C9 H9A 109.9 . . ?
C8 C9 H9A 109.9 . . ?
C10 C9 H9B 109.9 . . ?
C8 C9 H9B 109.9 . . ?
H9A C9 H9B 108.3 . . ?
C9 C10 C11 114.8(12) . . ?
C9 C10 H10A 108.6 . . ?
C11 C10 H10A 108.6 . . ?
C9 C10 H10B 108.6 . . ?
C11 C10 H10B 108.6 . . ?
H10A C10 H10B 107.5 . . ?
C2 Rh1 C2 80.5(7) . 2_656 ?
C2 Rh1 C1 36.3(5) . . ?
C2 Rh1 C1 66.5(5) 2_656 . ?
C2 Rh1 C1 66.5(5) . 2_656 ?
C2 Rh1 C1 36.3(5) 2_656 2_656 ?
C1 Rh1 C1 75.8(7) . 2_656 ?
C2 Rh1 P1 98.5(4) . . ?
C2 Rh1 P1 166.9(4) 2_656 . ?
C1 Rh1 P1 105.0(4) . . ?
C1 Rh1 P1 154.3(4) 2_656 . ?
C2 Rh1 P1 166.9(4) . 2_656 ?
C2 Rh1 P1 98.5(4) 2_656 2_656 ?
C1 Rh1 P1 154.3(4) . 2_656 ?
C1 Rh1 P1 105.0(4) 2_656 2_656 ?
P1 Rh1 P1 85.5(3) . 2_656 ?
F5 S1 F4 87.3(10) . . ?
F5 S1 F2 87.6(10) . . ?
F4 S1 F2 174.9(8) . . ?
F5 S1 F3 86.6(10) . . ?
F4 S1 F3 89.2(9) . . ?
F2 S1 F3 90.1(9) . . ?
F5 S1 F1 90.3(9) . . ?
F4 S1 F1 89.0(9) . . ?
F2 S1 F1 91.4(9) . . ?
F3 S1 F1 176.5(9) . . ?
F5 S1 C20 178.9(11) . . ?
F4 S1 C20 93.2(8) . . ?
F2 S1 C20 91.9(7) . . ?
F3 S1 C20 92.4(7) . . ?
F1 S1 C20 90.7(7) . . ?
C5 P1 C12 104.6(7) . . ?
C5 P1 C6 105.0(8) . . ?
C12 P1 C6 104.4(6) . . ?
C5 P1 Rh1 110.1(4) . . ?
C12 P1 Rh1 113.2(5) . . ?
C6 P1 Rh1 118.3(6) . . ?
C2 C1 C3 112.5(13) . 2_656 ?
C2 C1 Rh1 71.3(9) . . ?
C3 C1 Rh1 95.2(9) 2_656 . ?
C2 C1 H1 121.4 . . ?
C3 C1 H1 121.4 2_656 . ?
Rh1 C1 H1 121.4 . . ?
C6 C11 C10 107.3(12) . . ?
C6 C11 H11A 110.3 . . ?
C10 C11 H11A 110.3 . . ?
C6 C11 H11B 110.3 . . ?
C10 C11 H11B 110.3 . . ?
H11A C11 H11B 108.5 . . ?
C17 C12 C13 111.3(10) . . ?
C17 C12 P1 116.2(10) . . ?
C13 C12 P1 109.9(7) . . ?
C17 C12 H12 106.3 . . ?
C13 C12 H12 106.3 . . ?
P1 C12 H12 106.3 . . ?
C14 C13 C12 106.4(9) . . ?
C14 C13 H13A 110.4 . . ?
C12 C13 H13A 110.4 . . ?
C14 C13 H13B 110.4 . . ?
C12 C13 H13B 110.4 . . ?
H13A C13 H13B 108.6 . . ?
C13 C14 C15 113.2(13) . . ?
C13 C14 H14A 108.9 . . ?
C15 C14 H14A 108.9 . . ?
C13 C14 H14B 108.9 . . ?
C15 C14 H14B 108.9 . . ?
H14A C14 H14B 107.8 . . ?
C16 C15 C14 108.3(12) . . ?
C16 C15 H15A 110.0 . . ?
C14 C15 H15A 110.0 . . ?
C16 C15 H15B 110.0 . . ?
C14 C15 H15B 110.0 . . ?
H15A C15 H15B 108.4 . . ?
C17 C16 C15 111.8(10) . . ?
C17 C16 H16A 109.3 . . ?
C15 C16 H16A 109.3 . . ?
C17 C16 H16B 109.3 . . ?
C15 C16 H16B 109.3 . . ?
H16A C16 H16B 107.9 . . ?
C12 C17 C16 110.2(12) . . ?
C12 C17 H17A 109.6 . . ?
C16 C17 H17A 109.6 . . ?
C12 C17 H17B 109.6 . . ?
C16 C17 H17B 109.6 . . ?
H17A C17 H17B 108.1 . . ?
C19 C18 C23 118.2(12) . . ?
C19 C18 B1 121.7(9) . . ?
C23 C18 B1 119.3(9) . . ?
C18 C19 C20 122.8(11) . . ?
C18 C19 H19 118.6 . . ?
C20 C19 H19 118.6 . . ?
C21 C20 C19 118.5(11) . . ?
C21 C20 S1 118.9(10) . . ?
C19 C20 S1 122.6(9) . . ?
C20 C21 C22 118.9(12) . . ?
C20 C21 H21 120.5 . . ?
C22 C21 H21 120.5 . . ?
C23 C22 C21 120.8(11) . . ?
C23 C22 S2 119.3(9) . . ?
C21 C22 S2 119.8(10) . . ?
C22 C23 C18 120.8(11) . . ?
C22 C23 H23 119.6 . . ?
C18 C23 H23 119.6 . . ?
C25 C24 C29 118.1(12) . . ?
C25 C24 B1 120.8(10) . . ?
C29 C24 B1 120.5(9) . . ?
C24 C25 C26 120.0(12) . . ?
C24 C25 H25 120.0 . . ?
C26 C25 H25 120.0 . . ?
C27 C26 C25 121.6(12) . . ?
C27 C26 S3 120.3(10) . . ?
C25 C26 S3 118.1(10) . . ?
C28 C27 C26 118.4(12) . . ?
C28 C27 H27 120.8 . . ?
C26 C27 H27 120.8 . . ?
C27 C28 C29 121.5(12) . . ?
C27 C28 S4 120.2(10) . . ?
C29 C28 S4 118.3(10) . . ?
C28 C29 C24 120.4(11) . . ?
C28 C29 H29 119.8 . . ?
C24 C29 H29 119.8 . . ?
C18 B1 C18 104.2(15) 2_655 . ?
C18 B1 C24 110.7(6) 2_655 . ?
C18 B1 C24 113.5(6) . . ?
C18 B1 C24 113.5(6) 2_655 2_655 ?
C18 B1 C24 110.7(6) . 2_655 ?
C24 B1 C24 104.5(15) . 2_655 ?
F10 S2 F8 88.1(8) . . ?
F10 S2 F7 89.2(8) . . ?
F8 S2 F7 89.8(7) . . ?
F10 S2 F6 86.8(7) . . ?
F8 S2 F6 174.9(7) . . ?
F7 S2 F6 89.8(7) . . ?
F10 S2 F9 86.7(7) . . ?
F8 S2 F9 90.5(8) . . ?
F7 S2 F9 175.9(7) . . ?
F6 S2 F9 89.5(8) . . ?
F10 S2 C22 179.0(8) . . ?
F8 S2 C22 91.9(7) . . ?
F7 S2 C22 91.8(6) . . ?
F6 S2 C22 93.2(6) . . ?
F9 S2 C22 92.3(6) . . ?
C1 C2 C3 104.3(11) . . ?
C1 C2 Rh1 72.5(8) . . ?
C3 C2 Rh1 95.4(8) . . ?
C1 C2 H2 123.8 . . ?
C3 C2 H2 123.8 . . ?
Rh1 C2 H2 123.8 . . ?

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
C1 C3 C4 C3 51.3(7) 2_656 . . 2_656 ?
C2 C3 C4 C3 -52.1(7) . . . 2_656 ?
C11 C6 C7 C8 -57.8(18) . . . . ?
P1 C6 C7 C8 -178.6(11) . . . . ?
C6 C7 C8 C9 57.6(18) . . . . ?
C7 C8 C9 C10 -58.2(17) . . . . ?
C8 C9 C10 C11 62.0(18) . . . . ?
C5 C5 P1 C12 -154.6(12) 2_656 . . . ?
C5 C5 P1 C6 95.8(12) 2_656 . . . ?
C5 C5 P1 Rh1 -32.6(14) 2_656 . . . ?
C7 C6 C11 C10 56.4(16) . . . . ?
P1 C6 C11 C10 175.3(10) . . . . ?
C9 C10 C11 C6 -60.0(18) . . . . ?
C5 P1 C12 C17 -55.1(12) . . . . ?
C6 P1 C12 C17 55.0(12) . . . . ?
Rh1 P1 C12 C17 -175.0(9) . . . . ?
C5 P1 C12 C13 72.4(11) . . . . ?
C6 P1 C12 C13 -177.6(10) . . . . ?
Rh1 P1 C12 C13 -47.5(11) . . . . ?
C17 C12 C13 C14 -58.9(16) . . . . ?
P1 C12 C13 C14 171.0(10) . . . . ?
C12 C13 C14 C15 59.9(16) . . . . ?
C13 C14 C15 C16 -60.0(16) . . . . ?
C14 C15 C16 C17 55.6(17) . . . . ?
C13 C12 C17 C16 57.7(15) . . . . ?
P1 C12 C17 C16 -175.5(9) . . . . ?
C15 C16 C17 C12 -57.0(17) . . . . ?
C23 C18 C19 C20 -1.4(19) . . . . ?
B1 C18 C19 C20 -170.9(12) . . . . ?
C18 C19 C20 C21 0(2) . . . . ?
C18 C19 C20 S1 -177.5(11) . . . . ?
F4 S1 C20 C21 46.9(13) . . . . ?
F2 S1 C20 C21 -132.6(12) . . . . ?
F3 S1 C20 C21 -42.4(13) . . . . ?
F1 S1 C20 C21 136.0(13) . . . . ?
F4 S1 C20 C19 -135.7(12) . . . . ?
F2 S1 C20 C19 44.8(13) . . . . ?
F3 S1 C20 C19 135.0(12) . . . . ?
F1 S1 C20 C19 -46.6(13) . . . . ?
C19 C20 C21 C22 0.7(19) . . . . ?
S1 C20 C21 C22 178.3(11) . . . . ?
C20 C21 C22 C23 0(2) . . . . ?
C20 C21 C22 S2 -178.6(10) . . . . ?
C21 C22 C23 C18 -1(2) . . . . ?
S2 C22 C23 C18 177.1(10) . . . . ?
C19 C18 C23 C22 2.1(19) . . . . ?
B1 C18 C23 C22 171.9(12) . . . . ?
C29 C24 C25 C26 3.4(18) . . . . ?
B1 C24 C25 C26 174.0(12) . . . . ?
C24 C25 C26 C27 -2.5(19) . . . . ?
C24 C25 C26 S3 179.3(10) . . . . ?
F14 S3 C26 C27 47.3(13) . . . . ?
F11 S3 C26 C27 137.8(11) . . . . ?
F13 S3 C26 C27 -41.4(12) . . . . ?
F12 S3 C26 C27 -130.2(11) . . . . ?
F14 S3 C26 C25 -134.5(11) . . . . ?
F11 S3 C26 C25 -44.0(11) . . . . ?
F13 S3 C26 C25 136.8(11) . . . . ?
F12 S3 C26 C25 48.0(11) . . . . ?
C25 C26 C27 C28 0(2) . . . . ?
S3 C26 C27 C28 178.0(10) . . . . ?
C26 C27 C28 C29 2(2) . . . . ?
C26 C27 C28 S4 -178.6(10) . . . . ?
F16 S4 C28 C27 134.5(12) . . . . ?
F18 S4 C28 C27 -45.2(12) . . . . ?
F17 S4 C28 C27 -136.3(12) . . . . ?
F19 S4 C28 C27 44.1(12) . . . . ?
F16 S4 C28 C29 -45.9(11) . . . . ?
F18 S4 C28 C29 134.4(11) . . . . ?
F17 S4 C28 C29 43.3(11) . . . . ?
F19 S4 C28 C29 -136.3(11) . . . . ?
C27 C28 C29 C24 -0.9(19) . . . . ?
S4 C28 C29 C24 179.5(9) . . . . ?
C25 C24 C29 C28 -1.8(18) . . . . ?
B1 C24 C29 C28 -172.4(12) . . . . ?
C19 C18 B1 C18 86.3(12) . . . 2_655 ?
C23 C18 B1 C18 -83.1(11) . . . 2_655 ?
C19 C18 B1 C24 -34.2(18) . . . . ?
C23 C18 B1 C24 156.4(11) . . . . ?
C19 C18 B1 C24 -151.3(11) . . . 2_655 ?
C23 C18 B1 C24 39.2(16) . . . 2_655 ?
C25 C24 B1 C18 39.2(17) . . . 2_655 ?
C29 C24 B1 C18 -150.4(11) . . . 2_655 ?
C25 C24 B1 C18 155.9(11) . . . . ?
C29 C24 B1 C18 -33.7(17) . . . . ?
C25 C24 B1 C24 -83.3(11) . . . 2_655 ?
C29 C24 B1 C24 87.0(11) . . . 2_655 ?
C23 C22 S2 F8 45.4(12) . . . . ?
C21 C22 S2 F8 -136.1(12) . . . . ?
C23 C22 S2 F7 135.3(12) . . . . ?
C21 C22 S2 F7 -46.2(12) . . . . ?
C23 C22 S2 F6 -134.8(12) . . . . ?
C21 C22 S2 F6 43.7(12) . . . . ?
C23 C22 S2 F9 -45.2(12) . . . . ?
C21 C22 S2 F9 133.4(12) . . . . ?
C3 C1 C2 C3 3.4(16) 2_656 . . . ?
Rh1 C1 C2 C3 91.2(9) . . . . ?
C3 C1 C2 Rh1 -87.9(11) 2_656 . . . ?
C1 C3 C2 C1 -66.1(12) 2_656 . . . ?
C4 C3 C2 C1 31.3(13) . . . . ?
C1 C3 C2 Rh1 7.1(10) 2_656 . . . ?
C4 C3 C2 Rh1 104.6(8) . . . . ?

_refine_diff_density_max         0.249
_refine_diff_density_min         -0.190
_refine_diff_density_rms         0.051

####################################################################### 
# 
# 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_asw21028
_database_code_depnum_ccdc_archive 'CCDC 2126935'
loop_
_audit_author_name
_audit_author_address
'Laurence R. Doyle'
;University of York
United Kingdom
;
_audit_update_record             
;
2021-12-07 deposited with the CCDC.	2022-02-03 downloaded from the CCDC.
;
_audit_creation_date             2021-12-03
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.10.07 svn.r9718050b for OlexSys, GUI svn.r6410)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H52 P2 Rh, C24 H12 B F40 S8'
_chemical_formula_sum            'C54 H64 B F40 P2 Rh S8'
_chemical_formula_weight         1905.19
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C54 H68 B S8 F40 P2 Rh'
_chemical_oxdiff_usercomment     LD48N
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   19.5254(8)
_cell_length_b                   18.4417(19)
_cell_length_c                   20.4850(10)
_cell_angle_alpha                90
_cell_angle_beta                 92.333(4)
_cell_angle_gamma                90
_cell_volume                     7370.2(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2499
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      68.9120
_cell_measurement_theta_min      4.4940
_shelx_estimated_absorpt_T_max   0.556
_shelx_estimated_absorpt_T_min   0.368
_exptl_absorpt_coefficient_mu    5.681
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.559
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.717
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3824
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
12 -2 1 0.0559
10 6 6 0.0697
-12 3 -1 0.0574
-3 11 6 0.0932
-9 -6 -6 0.0888
7 -9 -4 0.0812
-7 6 -9 0.0847
-12 2 0 0.0561
-6 -4 11 0.0928
8 -6 8 0.0747
11 2 -7 0.0685

_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.214
_exptl_crystal_size_min          0.117
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
11.9999 -2.0002 0.9999 -0.0364 -0.0464 0.9670
9.9995 5.9997 5.9991 -0.1657 -0.7670 0.7012
-12.0000 3.0002 -1.0000 -0.0179 -0.0139 -0.9863
-3.0006 10.9998 5.9989 -0.2213 -0.9434 -0.3919
-8.9995 -5.9997 -5.9991 0.1491 0.7574 -0.6246
7.0004 -8.9999 -3.9993 0.1549 0.6813 0.6768
-7.0004 6.0001 -9.0007 -0.6986 0.1682 -0.7280
-11.9999 2.0002 0.0001 0.0907 -0.0050 -0.9586
-5.9994 -4.0000 11.0009 0.9146 -0.2664 -0.2905
8.0004 -6.0001 8.0006 0.6276 -0.1264 0.7963
10.9995 1.9999 -7.0007 -0.6717 0.1332 0.7460

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0351
_diffrn_reflns_av_unetI/netI     0.0431
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.972
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            13346
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.972
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         70.788
_diffrn_reflns_theta_min         3.892
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      110(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1450
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -25.00  10.00   1.00    7.50    --    0.00  77.00  30.00   35
  2  ω     -5.00  42.00   1.00    7.50    --    0.00  77.00  90.00   47
  3  ω    -20.00   8.00   1.00    7.50    --    0.00 -77.00 -90.00   28
  4  ω    -14.00  56.00   1.00   30.00    --   54.00 -57.00-120.00   70
  5  ω     29.00 105.00   1.00   30.00    --   54.00-125.00-180.00   76
  6  ω     27.00  53.00   1.00   30.00    --   54.00-125.00  60.00   26
  7  ω      4.00 121.00   1.00   30.00    --   54.00   0.00-120.00  117
  8  ω    108.00 173.00   1.00  120.00    --  108.00  77.00-180.00   65
  9  ω    103.00 171.00   1.00  120.00    --  108.00  77.00 -90.00   68
 10  ω    103.00 142.00   1.00  120.00    --  108.00  77.00  60.00   39
 11  ω     46.00  98.00   1.00  120.00    --  108.00 -91.00  60.00   52
 12  ω    103.00 165.00   1.00  120.00    --  108.00  77.00 -30.00   62
 13  ω    108.00 138.00   1.00  120.00    --  108.00 111.00  30.00   30
 14  ω     61.00 146.00   1.00  120.00    --  108.00 178.00  60.00   85
 15  ω     40.00 107.00   1.00  120.00    --  108.00 -91.00-180.00   67
 16  ω    150.00 177.00   1.00  120.00    --  108.00 111.00  30.00   27
 17  ω     44.00 104.00   1.00  120.00    --  108.00-111.00  30.00   60
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0166080000
_diffrn_orient_matrix_UB_12      -0.0542843000
_diffrn_orient_matrix_UB_13      0.0543466000
_diffrn_orient_matrix_UB_21      -0.0096431000
_diffrn_orient_matrix_UB_22      -0.0603526000
_diffrn_orient_matrix_UB_23      -0.0514220000
_diffrn_orient_matrix_UB_31      0.0766688000
_diffrn_orient_matrix_UB_32      -0.0192928000
_diffrn_orient_matrix_UB_33      0.0083898000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4573
_reflns_number_total             6905
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.577
_refine_diff_density_min         -0.635
_refine_diff_density_rms         0.152
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     648
_refine_ls_number_reflns         6905
_refine_ls_number_restraints     858
_refine_ls_R_factor_all          0.1319
_refine_ls_R_factor_gt           0.0946
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1070P)²+62.9053P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2460
_refine_ls_wR_factor_ref         0.2755
_refine_special_details          
'In the model, the cation is disordered over two positions, centred on Rh1 and Rh1A, which are related by a 180 degree rotation of the cation in the Rh1-P1-P2 plane; their respective occupancies were allowed to freely refine, converging at a final ratio of 0.844(4):0.156(4). The P(cyclohexyl)2 groups are shared between the two orientations, whereas the ethene and ligand P(CH2)2P backbone units are unique. The minor orientation of the ligand P(CH2)2P backbone could not be located due to its expected proximity to Rh1, and therefore the residual electron density has been accounted for by incorporation into the major orientation. Within the ethene units, chemically equivalent 1,2 C-C and C-Rh distances were restrained to be approximately equal. One of the cyclohexyl groups, centred on C10, was modelled as being disordered over two orientations; their respective occupancies were allowed to freely refine, converging at a final ratio of 0.572(12):0.428(12). Chemically equivalent 1,2 C-C and C-P distances within all cyclohexyl groups were restrained to be approximately equal. Similarity thermal parameter restraints were applied to the two orientations of the disordered cyclohexyl group and the ethene units to aid refinement. Within the anion, two SF5 groups centred on S1 and S2 were modelled as being disordered over two orientations; their respective occupancies were allowed to freely refine, converging at a final ratio of 0.775(16):0.225(16) and 0.844(4): 0.156(4). Chemically equivalent 1,2 C-S and S-F distances within the anion were restrained to be approximately equal. Similarity thermal parameter restraints were applied to the two orientations of both disordered SF5 groups to aid refinement.'
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 S4-C26 \\sim S3-C24 \\sim S1A-C18 \\sim S1-C18 \\sim S2A-C20 \\sim S2-C20
 with sigma of 0.02
 C2-C1 \\sim C1A-C2A
 with sigma of 0.02
 S4-F18 \\sim S4-F17 \\sim S4-F16 \\sim S4-F19 \\sim S3-F14 \\sim S3-F13 \\sim
S3-F11 \\sim S3-F12 \\sim S1A-
 F3A \\sim S1-F3 \\sim S1A-F2A \\sim S1-F2 \\sim S1-F1 \\sim S1A-F1A \\sim
S1-F4 \\sim S1A-F4A \\sim S2-F7 ~
 S2A-F7A \\sim S2A-F8A \\sim S2-F8 \\sim S2A-F9A \\sim S2-F9 \\sim S2-F6 \\sim
S2A-F6A
 with sigma of 0.02
 S3-F15 \\sim S4-F20 \\sim S2-F10 \\sim S2A-F10A \\sim S1A-F5A \\sim S1-F5
 with sigma of 0.02
 Rh1-C2 \\sim Rh1-C1 \\sim Rh1A-C2A \\sim Rh1A-C1A
 with sigma of 0.02
 C12A-C11A \\sim C12-C11 \\sim C14-C15 \\sim C14A-C15A \\sim C6-C5 \\sim C9-C8
 with sigma of 0.02
 P1-C4 \\sim P1-C10
 with sigma of 0.02
 C6-C7 \\sim C8-C7 \\sim C13A-C14A \\sim C12A-C13A \\sim C14-C13 \\sim C12-C13
 with sigma of 0.02
 C9-C4 \\sim C4-C5 \\sim C15A-C10 \\sim C15-C10 \\sim C11A-C10 \\sim C11-C10
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
S2 \\sim S2A \\sim F6 \\sim F6A \\sim F7 \\sim F7A \\sim F8 \\sim F8A \\sim F9
\\sim F9A \\sim F10 \\sim F10A: within 2A with sigma of 0.02 and sigma for
terminal atoms of 0.04 within 2A
S1A \\sim S1 \\sim F1A \\sim F1 \\sim F2A \\sim F2 \\sim F3A \\sim F3 \\sim F4A
\\sim F4 \\sim F5A \\sim F5: within 2A with sigma of 0.02 and sigma for
terminal atoms of 0.04 within 2A
C1 \\sim C2: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
within 2A
C1A \\sim C2A: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 2A
C10 \\sim C11 \\sim C11A \\sim C12 \\sim C12A \\sim C13 \\sim C13A \\sim C14
\\sim C14A \\sim C15 \\sim C15A: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08 within 2A
4. Others
 Sof(C1A)=Sof(H1AA)=Sof(H1AB)=Sof(C2A)=Sof(H2AA)=Sof(H2AB)=Sof(S2A)=Sof(F6A)=
 Sof(F7A)=Sof(F8A)=Sof(F9A)=Sof(F10A)=1-FVAR(1)
 Sof(Rh1A)=0.5*(1-FVAR(2))
 Sof(Rh1)=0.5*FVAR(2)
 Sof(C1)=Sof(H1A)=Sof(H1B)=Sof(C2)=Sof(H2A)=Sof(H2B)=Sof(S2)=Sof(F6)=Sof(F7)=
 Sof(F8)=Sof(F9)=Sof(F10)=FVAR(1)
 Sof(S1)=Sof(F1)=Sof(F2)=Sof(F3)=Sof(F4)=Sof(F5)=1-FVAR(2)
 Sof(S1A)=Sof(F1A)=Sof(F2A)=Sof(F3A)=Sof(F4A)=Sof(F5A)=FVAR(2)
 Sof(H10A)=Sof(C11A)=Sof(H11C)=Sof(H11D)=Sof(C12A)=Sof(H12C)=Sof(H12D)=
 Sof(C13A)=Sof(H13C)=Sof(H13D)=Sof(C14A)=Sof(H14C)=Sof(H14D)=Sof(C15A)=
 Sof(H15C)=Sof(H15D)=1-FVAR(3)
 Sof(H10)=Sof(C11)=Sof(H11A)=Sof(H11B)=Sof(C12)=Sof(H12A)=Sof(H12B)=Sof(C13)=
 Sof(H13A)=Sof(H13B)=Sof(C14)=Sof(H14A)=Sof(H14B)=Sof(C15)=Sof(H15A)=Sof(H15B)=
 FVAR(3)
5.a Riding coordinates:
 C1(H1A,H1B), C1A(H1AA,H1AB), C2(H2A,H2B), C2A(H2AA,H2AB)
5.b Ternary CH refined with riding coordinates:
 C4(H4), C10(H10), C10(H10A)
5.c Secondary CH2 refined with riding coordinates:
 C5(H5A,H5B), C6(H6A,H6B), C7(H7A,H7B), C8(H8A,H8B), C9(H9A,H9B), C11(H11A,
 H11B), C11A(H11C,H11D), C12(H12A,H12B), C12A(H12C,H12D), C13(H13A,H13B),
 C13A(H13C,H13D), C14(H14A,H14B), C14A(H14C,H14D), C15(H15A,H15B), C15A(H15C,
 H15D)
5.d Aromatic/amide H refined with riding coordinates:
 C17(H17), C19(H19), C21(H21), C23(H23), C25(H25), C27(H27)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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 1.000000 0.32349(10) 0.750000 0.0811(6) Uani 0.844(4) 2 d DS T P A .
Rh1A Rh 1.000000 0.1383(5) 0.750000 0.081(3) Uani 0.156(4) 2 d DS T P A 2
P1 P 0.98304(11) 0.22983(18) 0.82260(10) 0.0760(8) Uani 1 1 d D . . . .
C1 C 1.0403(14) 0.4091(13) 0.6835(13) 0.170(9) Uani 0.844(4) 1 d D U P A 1
H1A H 1.068448 0.448881 0.702874 0.204 Uiso 0.844(4) 1 d R U P A 1
H1B H 1.061638 0.391271 0.643484 0.204 Uiso 0.844(4) 1 d R U P A 1
C1A C 1.026(4) 0.053(4) 0.826(4) 0.12(3) Uiso 0.156(4) 1 d D U P A 2
H1AA H 1.045285 0.007237 0.809548 0.148 Uiso 0.156(4) 1 d R U P A 2
H1AB H 1.049485 0.071107 0.866158 0.148 Uiso 0.156(4) 1 d R U P A 2
C2 C 0.9767(14) 0.4150(13) 0.6794(13) 0.173(9) Uani 0.844(4) 1 d D U P A 1
H2A H 0.950561 0.402102 0.638618 0.208 Uiso 0.844(4) 1 d R U P A 1
H2B H 0.957391 0.459712 0.698008 0.208 Uiso 0.844(4) 1 d R U P A 1
C2A C 0.963(4) 0.059(4) 0.824(3) 0.10(2) Uiso 0.156(4) 1 d D U P A 2
H2AA H 0.941570 0.080407 0.863042 0.123 Uiso 0.156(4) 1 d R U P A 2
H2AB H 0.937370 0.016557 0.806462 0.123 Uiso 0.156(4) 1 d R U P A 2
C3 C 1.0083(8) 0.1431(8) 0.7886(6) 0.097(5) Uani 1 1 d . . . B 1
C4 C 1.0359(4) 0.2377(7) 0.8988(4) 0.084(3) Uani 1 1 d D . . . .
H4 H 1.021937 0.283678 0.920434 0.101 Uiso 1 1 calc R U . . .
C5 C 1.1115(4) 0.2456(8) 0.8846(4) 0.090(4) Uani 1 1 d D . . . .
H5A H 1.117338 0.284272 0.851805 0.108 Uiso 1 1 calc R U . . .
H5B H 1.128825 0.199615 0.866556 0.108 Uiso 1 1 calc R U . . .
C6 C 1.1527(5) 0.2649(7) 0.9486(5) 0.092(4) Uani 1 1 d D . . . .
H6A H 1.201877 0.270032 0.939458 0.110 Uiso 1 1 calc R U . . .
H6B H 1.136410 0.311715 0.965718 0.110 Uiso 1 1 calc R U . . .
C7 C 1.1441(4) 0.2069(7) 0.9986(5) 0.089(3) Uani 1 1 d D . . . .
H7A H 1.169719 0.220356 1.039515 0.107 Uiso 1 1 calc R U . . .
H7B H 1.163346 0.160784 0.982636 0.107 Uiso 1 1 calc R U . . .
C8 C 1.0693(4) 0.1964(8) 1.0122(4) 0.100(4) Uani 1 1 d D . . . .
H8A H 1.050840 0.241212 1.031600 0.120 Uiso 1 1 calc R U . . .
H8B H 1.064274 0.156409 1.043884 0.120 Uiso 1 1 calc R U . . .
C9 C 1.0284(5) 0.1784(8) 0.9477(5) 0.103(4) Uani 1 1 d D . . . .
H9A H 1.045367 0.132314 0.929603 0.124 Uiso 1 1 calc R U . . .
H9B H 0.979309 0.172100 0.956708 0.124 Uiso 1 1 calc R U . . .
C10 C 0.8934(4) 0.2203(7) 0.8480(4) 0.082(3) Uani 1 1 d D U . . .
H10 H 0.893025 0.172754 0.871503 0.098 Uiso 0.572(12) 1 calc R U P C 1
H10A H 0.890290 0.250982 0.888020 0.098 Uiso 0.428(12) 1 calc R U P C 2
C11 C 0.8697(7) 0.2723(12) 0.8959(9) 0.104(7) Uani 0.572(12) 1 d D U P C 1
H11A H 0.870908 0.321490 0.876615 0.125 Uiso 0.572(12) 1 calc R U P C 1
H11B H 0.902050 0.271810 0.934429 0.125 Uiso 0.572(12) 1 calc R U P C 1
C11A C 0.8466(12) 0.256(2) 0.7968(11) 0.089(7) Uani 0.428(12) 1 d D U P C 2
H11C H 0.842778 0.225718 0.756968 0.107 Uiso 0.428(12) 1 calc R U P C 2
H11D H 0.864786 0.304151 0.784939 0.107 Uiso 0.428(12) 1 calc R U P C 2
C12 C 0.7960(7) 0.2575(14) 0.9193(7) 0.092(6) Uani 0.572(12) 1 d D U P C 1
H12A H 0.794494 0.209662 0.941199 0.111 Uiso 0.572(12) 1 calc R U P C 1
H12B H 0.783188 0.295074 0.951091 0.111 Uiso 0.572(12) 1 calc R U P C 1
C12A C 0.7750(12) 0.2643(15) 0.8275(16) 0.105(7) Uani 0.428(12) 1 d D U P C 2
H12C H 0.778129 0.297812 0.865187 0.125 Uiso 0.428(12) 1 calc R U P C 2
H12D H 0.741189 0.283896 0.794748 0.125 Uiso 0.428(12) 1 calc R U P C 2
C13 C 0.7461(8) 0.2585(11) 0.8612(7) 0.075(5) Uani 0.572(12) 1 d D U P C 1
H13A H 0.745480 0.307472 0.841509 0.090 Uiso 0.572(12) 1 calc R U P C 1
H13B H 0.699504 0.247763 0.875869 0.090 Uiso 0.572(12) 1 calc R U P C 1
C13A C 0.7534(10) 0.1897(15) 0.8493(13) 0.086(6) Uani 0.428(12) 1 d D U P C 2
H13C H 0.707683 0.192958 0.868242 0.103 Uiso 0.428(12) 1 calc R U P C 2
H13D H 0.749473 0.157263 0.810810 0.103 Uiso 0.428(12) 1 calc R U P C 2
C14 C 0.7654(8) 0.2031(14) 0.8102(10) 0.093(6) Uani 0.572(12) 1 d D U P C 1
H14A H 0.735137 0.209486 0.770634 0.112 Uiso 0.572(12) 1 calc R U P C 1
H14B H 0.757758 0.153749 0.827366 0.112 Uiso 0.572(12) 1 calc R U P C 1
C14A C 0.8031(9) 0.1576(17) 0.8988(10) 0.091(7) Uani 0.428(12) 1 d D U P C 2
H14C H 0.785442 0.110349 0.913890 0.109 Uiso 0.428(12) 1 calc R U P C 2
H14D H 0.807986 0.190176 0.937118 0.109 Uiso 0.428(12) 1 calc R U P C 2
C15 C 0.8414(7) 0.2102(16) 0.7909(8) 0.088(6) Uani 0.572(12) 1 d D U P C 1
H15A H 0.853903 0.166098 0.766498 0.105 Uiso 0.572(12) 1 calc R U P C 1
H15B H 0.845096 0.251978 0.760930 0.105 Uiso 0.572(12) 1 calc R U P C 1
C15A C 0.8745(9) 0.1464(11) 0.8685(9) 0.082(7) Uani 0.428(12) 1 d D U P C 2
H15C H 0.908409 0.126897 0.901193 0.098 Uiso 0.428(12) 1 calc R U P C 2
H15D H 0.871129 0.113076 0.830592 0.098 Uiso 0.428(12) 1 calc R U P C 2
S1A S 0.6934(12) 0.4514(14) 0.6804(8) 0.084(5) Uani 0.225(16) 1 d D U P D 2
S1 S 0.7178(3) 0.4229(4) 0.6838(2) 0.0682(14) Uani 0.775(16) 1 d D U P D 1
S2 S 0.6171(3) 0.4351(4) 0.9314(2) 0.097(2) Uani 0.844(4) 1 d D U P A 1
S2A S 0.632(2) 0.416(2) 0.9359(9) 0.095(6) Uani 0.156(4) 1 d D U P A 2
S3 S 0.68534(10) 0.09552(14) 0.63082(11) 0.0682(6) Uani 1 1 d D . . . .
S4 S 0.41278(11) 0.09068(16) 0.54837(11) 0.0752(7) Uani 1 1 d D . . . .
F1A F 0.711(2) 0.3762(19) 0.6489(16) 0.088(7) Uani 0.225(16) 1 d D U P D 2
F1 F 0.7331(4) 0.3421(5) 0.6630(4) 0.077(3) Uani 0.775(16) 1 d D U P D 1
F2A F 0.7620(15) 0.451(2) 0.7243(18) 0.085(8) Uani 0.225(16) 1 d D U P D 2
F2 F 0.7794(4) 0.4195(7) 0.7362(5) 0.082(3) Uani 0.775(16) 1 d D U P D 1
F3A F 0.6733(19) 0.5290(16) 0.706(2) 0.098(10) Uani 0.225(16) 1 d D U P D 2
F3 F 0.7072(5) 0.5064(5) 0.7021(5) 0.082(3) Uani 0.775(16) 1 d D U P D 1
F4A F 0.6295(17) 0.453(3) 0.6315(15) 0.090(10) Uani 0.225(16) 1 d D U P D 2
F4 F 0.6618(6) 0.4281(6) 0.6282(4) 0.082(3) Uani 0.775(16) 1 d D U P D 1
F5A F 0.7385(18) 0.487(2) 0.6267(13) 0.090(7) Uani 0.225(16) 1 d D U P D 2
F5 F 0.7711(5) 0.4481(7) 0.6326(4) 0.097(3) Uani 0.775(16) 1 d D U P D 1
F6 F 0.6183(4) 0.5164(5) 0.9045(5) 0.102(3) Uani 0.844(4) 1 d D U P A 1
F6A F 0.645(3) 0.500(3) 0.924(3) 0.096(9) Uani 0.156(4) 1 d D U P A 2
F7 F 0.6979(4) 0.4335(5) 0.9359(5) 0.090(3) Uani 0.844(4) 1 d D U P A 1
F7A F 0.710(2) 0.395(3) 0.937(3) 0.100(10) Uani 0.156(4) 1 d D U P A 2
F8 F 0.6144(6) 0.3571(6) 0.9631(5) 0.102(4) Uani 0.844(4) 1 d D U P A 1
F8A F 0.632(3) 0.333(2) 0.953(2) 0.084(10) Uani 0.156(4) 1 d D U P A 2
F9 F 0.5367(4) 0.4379(10) 0.9321(6) 0.116(5) Uani 0.844(4) 1 d D U P A 1
F9A F 0.555(2) 0.434(6) 0.950(4) 0.105(10) Uani 0.156(4) 1 d D U P A 2
F10 F 0.6184(6) 0.4670(7) 1.0031(4) 0.130(5) Uani 0.844(4) 1 d D U P A 1
F10A F 0.642(3) 0.432(3) 1.0116(12) 0.093(9) Uani 0.156(4) 1 d D U P A 2
F11 F 0.6823(3) 0.1026(3) 0.5538(2) 0.0841(17) Uani 1 1 d D . . . .
F12 F 0.6631(3) 0.0133(3) 0.6246(3) 0.0825(16) Uani 1 1 d D . . . .
F13 F 0.6946(3) 0.0862(3) 0.7068(2) 0.0800(16) Uani 1 1 d D . . . .
F14 F 0.7142(2) 0.1752(3) 0.6372(3) 0.0876(18) Uani 1 1 d D . . . .
F15 F 0.7618(3) 0.0695(4) 0.6254(3) 0.097(2) Uani 1 1 d D . . . .
F16 F 0.4388(3) 0.0098(3) 0.5549(3) 0.0941(18) Uani 1 1 d D . . . .
F17 F 0.4576(3) 0.0996(4) 0.4858(2) 0.0867(18) Uani 1 1 d D . . . .
F18 F 0.3825(3) 0.1688(3) 0.5382(3) 0.0884(18) Uani 1 1 d D . . . .
F19 F 0.3644(3) 0.0786(4) 0.6070(3) 0.098(2) Uani 1 1 d D . . . .
F20 F 0.3539(3) 0.0627(4) 0.5008(3) 0.110(2) Uani 1 1 d D . . . .
C16 C 0.5624(3) 0.3166(4) 0.7702(3) 0.0463(16) Uani 1 1 d . . . . .
C17 C 0.6071(4) 0.3428(4) 0.7251(4) 0.0514(17) Uani 1 1 d . . . . .
H17 H 0.605071 0.324494 0.681688 0.062 Uiso 1 1 calc R U . . .
C18 C 0.6553(4) 0.3960(5) 0.7430(4) 0.059(2) Uani 1 1 d D . . . .
C19 C 0.6593(4) 0.4243(5) 0.8042(4) 0.062(2) Uani 1 1 d . . . . .
H19 H 0.691481 0.461265 0.815666 0.075 Uiso 1 1 calc R U . . .
C20 C 0.6150(4) 0.3973(5) 0.8495(4) 0.060(2) Uani 1 1 d D . . . .
C21 C 0.5680(3) 0.3439(4) 0.8336(4) 0.0502(17) Uani 1 1 d . . . . .
H21 H 0.539244 0.325517 0.866017 0.060 Uiso 1 1 calc R U . . .
C22 C 0.5180(3) 0.2040(4) 0.6905(3) 0.0456(16) Uani 1 1 d . . . . .
C23 C 0.5846(3) 0.1774(4) 0.6836(3) 0.0489(17) Uani 1 1 d . . . . .
H23 H 0.621119 0.195006 0.711358 0.059 Uiso 1 1 calc R U . . .
C24 C 0.5977(3) 0.1258(5) 0.6368(4) 0.0548(19) Uani 1 1 d D . . . .
C25 C 0.5480(4) 0.0986(5) 0.5945(4) 0.0569(19) Uani 1 1 d . . . . .
H25 H 0.558113 0.064024 0.561853 0.068 Uiso 1 1 calc R U . . .
C26 C 0.4820(4) 0.1246(5) 0.6022(4) 0.0558(19) Uani 1 1 d D . . . .
C27 C 0.4668(3) 0.1758(4) 0.6485(3) 0.0487(17) Uani 1 1 d . . . . .
H27 H 0.420863 0.192131 0.651729 0.058 Uiso 1 1 calc R U . . .
B1 B 0.500000 0.2608(7) 0.750000 0.044(2) Uani 1 2 d S T P . .


_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 P1 2.312(3) . ?
Rh1 P1 2.312(3) 2_756 ?
Rh1 C1 2.248(16) . ?
Rh1 C1 2.248(16) 2_756 ?
Rh1 C2 2.256(16) 2_756 ?
Rh1 C2 2.256(16) . ?
Rh1A P1 2.283(8) . ?
Rh1A P1 2.283(8) 2_756 ?
Rh1A C1A 2.25(2) 2_756 ?
Rh1A C1A 2.25(2) . ?
Rh1A C2A 2.25(2) 2_756 ?
Rh1A C2A 2.25(2) . ?
P1 C3 1.820(15) . ?
P1 C4 1.842(8) . ?
P1 C10 1.855(8) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C2 1.25(3) . ?
C1A H1AA 0.9899 . ?
C1A H1AB 0.9903 . ?
C1A C2A 1.24(4) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9899 . ?
C2A H2AA 0.9898 . ?
C2A H2AB 0.9900 . ?
C3 C3 1.60(3) 2_756 ?
C4 H4 1.0000 . ?
C4 C5 1.522(10) . ?
C4 C9 1.493(12) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C6 1.552(11) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C7 1.494(12) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C8 1.512(10) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.552(11) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10 1.0000 . ?
C10 H10A 1.0000 . ?
C10 C11 1.461(14) . ?
C10 C11A 1.514(15) . ?
C10 C15 1.529(13) . ?
C10 C15A 1.476(15) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.561(14) . ?
C11A H11C 0.9900 . ?
C11A H11D 0.9900 . ?
C11A C12A 1.562(16) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C13 1.506(14) . ?
C12A H12C 0.9900 . ?
C12A H12D 0.9900 . ?
C12A C13A 1.511(16) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.520(15) . ?
C13A H13C 0.9900 . ?
C13A H13D 0.9900 . ?
C13A C14A 1.497(16) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.556(15) . ?
C14A H14C 0.9900 . ?
C14A H14D 0.9900 . ?
C14A C15A 1.564(16) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15A H15C 0.9900 . ?
C15A H15D 0.9900 . ?
S1A F1A 1.575(15) . ?
S1A F2A 1.582(14) . ?
S1A F3A 1.578(15) . ?
S1A F4A 1.568(14) . ?
S1A F5A 1.577(14) . ?
S1A C18 1.822(12) . ?
S1 F1 1.581(8) . ?
S1 F2 1.579(8) . ?
S1 F3 1.601(9) . ?
S1 F4 1.549(9) . ?
S1 F5 1.577(7) . ?
S1 C18 1.823(8) . ?
S2 F6 1.597(9) . ?
S2 F7 1.578(8) . ?
S2 F8 1.581(9) . ?
S2 F9 1.571(8) . ?
S2 F10 1.583(7) . ?
S2 C20 1.815(8) . ?
S2A F6A 1.580(15) . ?
S2A F7A 1.579(15) . ?
S2A F8A 1.577(15) . ?
S2A F9A 1.576(15) . ?
S2A F10A 1.582(16) . ?
S2A C20 1.822(15) . ?
S3 F11 1.583(5) . ?
S3 F12 1.582(6) . ?
S3 F13 1.568(5) . ?
S3 F14 1.577(6) . ?
S3 F15 1.577(5) . ?
S3 C24 1.810(7) . ?
S4 F16 1.580(6) . ?
S4 F17 1.591(5) . ?
S4 F18 1.568(6) . ?
S4 F19 1.574(6) . ?
S4 F20 1.564(5) . ?
S4 C26 1.820(7) . ?
C16 C17 1.385(10) . ?
C16 C21 1.392(10) . ?
C16 B1 1.636(10) . ?
C17 H17 0.9500 . ?
C17 C18 1.397(10) . ?
C18 C19 1.358(11) . ?
C19 H19 0.9500 . ?
C19 C20 1.387(11) . ?
C20 C21 1.376(10) . ?
C21 H21 0.9500 . ?
C22 C23 1.403(9) . ?
C22 C27 1.394(9) . ?
C22 B1 1.655(10) . ?
C23 H23 0.9500 . ?
C23 C24 1.381(11) . ?
C24 C25 1.369(11) . ?
C25 H25 0.9500 . ?
C25 C26 1.392(10) . ?
C26 C27 1.379(11) . ?
C27 H27 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
P1 Rh1 P1 83.32(15) . 2_756 ?
C1 Rh1 P1 167.7(7) . . ?
C1 Rh1 P1 94.1(8) 2_756 . ?
C1 Rh1 P1 167.7(7) 2_756 2_756 ?
C1 Rh1 P1 94.1(8) . 2_756 ?
C1 Rh1 C1 90.8(16) . 2_756 ?
C1 Rh1 C2 32.1(8) 2_756 2_756 ?
C1 Rh1 C2 32.1(8) . . ?
C1 Rh1 C2 78.3(8) 2_756 . ?
C1 Rh1 C2 78.3(8) . 2_756 ?
C2 Rh1 P1 160.1(7) 2_756 2_756 ?
C2 Rh1 P1 160.1(7) . . ?
C2 Rh1 P1 100.2(8) 2_756 . ?
C2 Rh1 P1 100.2(8) . 2_756 ?
C2 Rh1 C2 83.2(16) 2_756 . ?
P1 Rh1A P1 84.6(4) 2_756 . ?
C1A Rh1A P1 96(3) . . ?
C1A Rh1A P1 159(2) 2_756 . ?
C2A Rh1A P1 89(2) . . ?
C2A Rh1A P1 168.2(19) 2_756 . ?
C2A Rh1A C1A 32.0(9) . . ?
C2A Rh1A C1A 87(3) 2_756 . ?
C2A Rh1A C2A 99(4) 2_756 . ?
Rh1A P1 Rh1 96.04(19) . . ?
C3 P1 Rh1 111.3(4) . . ?
C3 P1 C4 104.0(6) . . ?
C3 P1 C10 107.3(6) . . ?
C4 P1 Rh1 113.4(4) . . ?
C4 P1 Rh1A 121.3(4) . . ?
C4 P1 C10 105.8(4) . . ?
C10 P1 Rh1 114.4(4) . . ?
C10 P1 Rh1A 106.0(4) . . ?
Rh1 C1 H1A 118.7 . . ?
Rh1 C1 H1B 116.0 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 Rh1 74.3(9) . . ?
C2 C1 H1A 119.8 . . ?
C2 C1 H1B 115.1 . . ?
Rh1A C1A H1AA 116.5 . . ?
Rh1A C1A H1AB 115.3 . . ?
H1AA C1A H1AB 113.1 . . ?
C2A C1A Rh1A 73.9(10) . . ?
C2A C1A H1AA 117.8 . . ?
C2A C1A H1AB 114.9 . . ?
Rh1 C2 H2A 116.5 . . ?
Rh1 C2 H2B 116.5 . . ?
C1 C2 Rh1 73.6(9) . . ?
C1 C2 H2A 120.9 . . ?
C1 C2 H2B 116.2 . . ?
H2A C2 H2B 109.5 . . ?
Rh1A C2A H2AA 116.5 . . ?
Rh1A C2A H2AB 116.1 . . ?
C1A C2A Rh1A 74.0(10) . . ?
C1A C2A H2AA 117.4 . . ?
C1A C2A H2AB 114.5 . . ?
H2AA C2A H2AB 113.1 . . ?
C3 C3 P1 109.3(6) 2_756 . ?
P1 C4 H4 106.7 . . ?
C5 C4 P1 111.1(6) . . ?
C5 C4 H4 106.7 . . ?
C9 C4 P1 116.3(7) . . ?
C9 C4 H4 106.7 . . ?
C9 C4 C5 108.7(8) . . ?
C4 C5 H5A 109.8 . . ?
C4 C5 H5B 109.8 . . ?
C4 C5 C6 109.5(7) . . ?
H5A C5 H5B 108.2 . . ?
C6 C5 H5A 109.8 . . ?
C6 C5 H5B 109.8 . . ?
C5 C6 H6A 109.6 . . ?
C5 C6 H6B 109.6 . . ?
H6A C6 H6B 108.1 . . ?
C7 C6 C5 110.2(9) . . ?
C7 C6 H6A 109.6 . . ?
C7 C6 H6B 109.6 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
C6 C7 C8 110.7(9) . . ?
H7A C7 H7B 108.1 . . ?
C8 C7 H7A 109.5 . . ?
C8 C7 H7B 109.5 . . ?
C7 C8 H8A 109.7 . . ?
C7 C8 H8B 109.7 . . ?
C7 C8 C9 109.7(8) . . ?
H8A C8 H8B 108.2 . . ?
C9 C8 H8A 109.7 . . ?
C9 C8 H8B 109.7 . . ?
C4 C9 C8 110.7(10) . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 108.1 . . ?
P1 C10 H10 104.1 . . ?
P1 C10 H10A 105.4 . . ?
C11 C10 P1 117.0(8) . . ?
C11 C10 H10 104.1 . . ?
C11 C10 C15 112.1(12) . . ?
C11A C10 P1 108.3(11) . . ?
C11A C10 H10A 105.4 . . ?
C15 C10 P1 113.7(8) . . ?
C15 C10 H10 104.1 . . ?
C15A C10 P1 114.6(9) . . ?
C15A C10 H10A 105.4 . . ?
C15A C10 C11A 116.6(18) . . ?
C10 C11 H11A 108.7 . . ?
C10 C11 H11B 108.7 . . ?
C10 C11 C12 114.3(14) . . ?
H11A C11 H11B 107.6 . . ?
C12 C11 H11A 108.7 . . ?
C12 C11 H11B 108.7 . . ?
C10 C11A H11C 110.4 . . ?
C10 C11A H11D 110.4 . . ?
C10 C11A C12A 106.8(17) . . ?
H11C C11A H11D 108.6 . . ?
C12A C11A H11C 110.4 . . ?
C12A C11A H11D 110.4 . . ?
C11 C12 H12A 109.8 . . ?
C11 C12 H12B 109.8 . . ?
H12A C12 H12B 108.3 . . ?
C13 C12 C11 109.3(13) . . ?
C13 C12 H12A 109.8 . . ?
C13 C12 H12B 109.8 . . ?
C11A C12A H12C 110.3 . . ?
C11A C12A H12D 110.3 . . ?
H12C C12A H12D 108.5 . . ?
C13A C12A C11A 107(2) . . ?
C13A C12A H12C 110.3 . . ?
C13A C12A H12D 110.3 . . ?
C12 C13 H13A 109.3 . . ?
C12 C13 H13B 109.3 . . ?
C12 C13 C14 111.4(15) . . ?
H13A C13 H13B 108.0 . . ?
C14 C13 H13A 109.3 . . ?
C14 C13 H13B 109.3 . . ?
C12A C13A H13C 109.1 . . ?
C12A C13A H13D 109.1 . . ?
H13C C13A H13D 107.9 . . ?
C14A C13A C12A 112(2) . . ?
C14A C13A H13C 109.1 . . ?
C14A C13A H13D 109.1 . . ?
C13 C14 H14A 109.1 . . ?
C13 C14 H14B 109.1 . . ?
C13 C14 C15 112.6(17) . . ?
H14A C14 H14B 107.8 . . ?
C15 C14 H14A 109.1 . . ?
C15 C14 H14B 109.1 . . ?
C13A C14A H14C 109.6 . . ?
C13A C14A H14D 109.6 . . ?
C13A C14A C15A 110.2(18) . . ?
H14C C14A H14D 108.1 . . ?
C15A C14A H14C 109.6 . . ?
C15A C14A H14D 109.6 . . ?
C10 C15 C14 115.2(13) . . ?
C10 C15 H15A 108.5 . . ?
C10 C15 H15B 108.5 . . ?
C14 C15 H15A 108.5 . . ?
C14 C15 H15B 108.5 . . ?
H15A C15 H15B 107.5 . . ?
C10 C15A C14A 103.2(16) . . ?
C10 C15A H15C 111.1 . . ?
C10 C15A H15D 111.1 . . ?
C14A C15A H15C 111.1 . . ?
C14A C15A H15D 111.1 . . ?
H15C C15A H15D 109.1 . . ?
F1A S1A F2A 92(2) . . ?
F1A S1A F3A 175(2) . . ?
F1A S1A F5A 86(2) . . ?
F1A S1A C18 84.2(14) . . ?
F2A S1A C18 87.8(15) . . ?
F3A S1A F2A 92(2) . . ?
F3A S1A C18 99.4(17) . . ?
F4A S1A F1A 86(2) . . ?
F4A S1A F2A 175(2) . . ?
F4A S1A F3A 90(2) . . ?
F4A S1A F5A 90.0(18) . . ?
F4A S1A C18 97.0(15) . . ?
F5A S1A F2A 85.0(19) . . ?
F5A S1A F3A 91(2) . . ?
F5A S1A C18 168(2) . . ?
F1 S1 F3 175.8(5) . . ?
F1 S1 C18 93.5(5) . . ?
F2 S1 F1 89.9(5) . . ?
F2 S1 F3 89.0(5) . . ?
F2 S1 C18 92.9(5) . . ?
F3 S1 C18 90.6(5) . . ?
F4 S1 F1 89.7(5) . . ?
F4 S1 F2 175.2(6) . . ?
F4 S1 F3 91.0(5) . . ?
F4 S1 F5 87.5(6) . . ?
F4 S1 C18 92.0(5) . . ?
F5 S1 F1 87.8(5) . . ?
F5 S1 F2 87.6(6) . . ?
F5 S1 F3 88.1(6) . . ?
F5 S1 C18 178.6(6) . . ?
F6 S2 C20 92.4(6) . . ?
F7 S2 F6 90.5(6) . . ?
F7 S2 F8 90.5(6) . . ?
F7 S2 F10 88.5(6) . . ?
F7 S2 C20 91.8(5) . . ?
F8 S2 F6 175.7(6) . . ?
F8 S2 F10 87.5(6) . . ?
F8 S2 C20 91.8(6) . . ?
F9 S2 F6 90.1(8) . . ?
F9 S2 F7 176.0(6) . . ?
F9 S2 F8 88.6(9) . . ?
F9 S2 F10 87.6(6) . . ?
F9 S2 C20 92.1(5) . . ?
F10 S2 F6 88.4(6) . . ?
F10 S2 C20 179.2(7) . . ?
F6A S2A F10A 87(3) . . ?
F6A S2A C20 94(2) . . ?
F7A S2A F6A 94(4) . . ?
F7A S2A F10A 87(3) . . ?
F7A S2A C20 96(3) . . ?
F8A S2A F6A 170(4) . . ?
F8A S2A F7A 76(4) . . ?
F8A S2A F10A 88(3) . . ?
F8A S2A C20 92(3) . . ?
F9A S2A F6A 89(5) . . ?
F9A S2A F7A 169(4) . . ?
F9A S2A F8A 99(5) . . ?
F9A S2A F10A 82(3) . . ?
F9A S2A C20 95(3) . . ?
F10A S2A C20 177(4) . . ?
F11 S3 C24 92.6(3) . . ?
F12 S3 F11 90.0(3) . . ?
F12 S3 C24 92.6(4) . . ?
F13 S3 F11 175.2(3) . . ?
F13 S3 F12 89.8(3) . . ?
F13 S3 F14 89.6(4) . . ?
F13 S3 F15 88.0(3) . . ?
F13 S3 C24 92.2(3) . . ?
F14 S3 F11 90.2(4) . . ?
F14 S3 F12 175.0(3) . . ?
F14 S3 F15 87.3(3) . . ?
F14 S3 C24 92.5(3) . . ?
F15 S3 F11 87.3(3) . . ?
F15 S3 F12 87.7(3) . . ?
F15 S3 C24 179.7(5) . . ?
F16 S4 F17 88.8(4) . . ?
F16 S4 C26 92.5(4) . . ?
F17 S4 C26 92.0(3) . . ?
F18 S4 F16 175.7(3) . . ?
F18 S4 F17 90.8(4) . . ?
F18 S4 F19 89.8(4) . . ?
F18 S4 C26 91.8(3) . . ?
F19 S4 F16 90.2(4) . . ?
F19 S4 F17 175.7(3) . . ?
F19 S4 C26 92.2(3) . . ?
F20 S4 F16 88.1(4) . . ?
F20 S4 F17 86.9(3) . . ?
F20 S4 F18 87.5(4) . . ?
F20 S4 F19 88.9(4) . . ?
F20 S4 C26 178.7(5) . . ?
C17 C16 C21 118.0(7) . . ?
C17 C16 B1 122.3(5) . . ?
C21 C16 B1 119.6(5) . . ?
C16 C17 H17 119.8 . . ?
C16 C17 C18 120.4(7) . . ?
C18 C17 H17 119.8 . . ?
C17 C18 S1A 119.9(8) . . ?
C17 C18 S1 118.6(6) . . ?
C19 C18 S1A 115.1(9) . . ?
C19 C18 S1 119.6(6) . . ?
C19 C18 C17 121.7(7) . . ?
C18 C19 H19 121.1 . . ?
C18 C19 C20 117.7(7) . . ?
C20 C19 H19 121.1 . . ?
C19 C20 S2 119.3(6) . . ?
C19 C20 S2A 119.2(16) . . ?
C21 C20 S2 118.9(6) . . ?
C21 C20 S2A 117.4(16) . . ?
C21 C20 C19 121.8(7) . . ?
C16 C21 H21 119.8 . . ?
C20 C21 C16 120.4(7) . . ?
C20 C21 H21 119.8 . . ?
C23 C22 B1 121.4(5) . . ?
C27 C22 C23 116.9(7) . . ?
C27 C22 B1 121.4(5) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 C22 120.6(7) . . ?
C24 C23 H23 119.7 . . ?
C23 C24 S3 117.5(6) . . ?
C25 C24 S3 119.4(6) . . ?
C25 C24 C23 123.1(6) . . ?
C24 C25 H25 122.0 . . ?
C24 C25 C26 115.9(7) . . ?
C26 C25 H25 122.0 . . ?
C25 C26 S4 118.8(6) . . ?
C27 C26 S4 118.5(5) . . ?
C27 C26 C25 122.7(7) . . ?
C22 C27 H27 119.6 . . ?
C26 C27 C22 120.7(6) . . ?
C26 C27 H27 119.6 . . ?
C16 B1 C16 102.0(9) . 2_656 ?
C16 B1 C22 114.0(3) 2_656 2_656 ?
C16 B1 C22 113.0(3) . 2_656 ?
C16 B1 C22 113.0(3) 2_656 . ?
C16 B1 C22 114.0(3) . . ?
C22 B1 C22 101.5(9) . 2_656 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 P1 C3 C3 -34.3(14) . . . 2_756 ?
Rh1 P1 C4 C5 -54.1(10) . . . . ?
Rh1 P1 C4 C9 -179.2(7) . . . . ?
Rh1 P1 C10 C11 -76.6(12) . . . . ?
Rh1 P1 C10 C11A 21.8(17) . . . . ?
Rh1 P1 C10 C15 56.6(15) . . . . ?
Rh1 P1 C10 C15A 154.0(10) . . . . ?
Rh1A P1 C4 C5 59.2(10) . . . . ?
Rh1A P1 C4 C9 -65.8(8) . . . . ?
Rh1A P1 C10 C11A -82.7(17) . . . . ?
Rh1A P1 C10 C15A 49.4(10) . . . . ?
P1 C4 C5 C6 170.6(9) . . . . ?
P1 C4 C9 C8 -173.5(7) . . . . ?
P1 C10 C11 C12 -175.3(12) . . . . ?
P1 C10 C11A C12A -166(2) . . . . ?
P1 C10 C15 C14 -179.1(17) . . . . ?
P1 C10 C15A C14A 169.9(11) . . . . ?
C3 P1 C4 C5 66.9(10) . . . . ?
C3 P1 C4 C9 -58.2(9) . . . . ?
C3 P1 C10 C11 159.5(12) . . . . ?
C3 P1 C10 C15 -67.3(15) . . . . ?
C4 P1 C3 C3 -156.6(12) . . . 2_756 ?
C4 P1 C10 C11 49.0(13) . . . . ?
C4 P1 C10 C11A 147.3(17) . . . . ?
C4 P1 C10 C15 -177.9(15) . . . . ?
C4 P1 C10 C15A -80.5(11) . . . . ?
C4 C5 C6 C7 59.3(14) . . . . ?
C5 C4 C9 C8 60.3(12) . . . . ?
C5 C6 C7 C8 -57.8(13) . . . . ?
C6 C7 C8 C9 56.8(15) . . . . ?
C7 C8 C9 C4 -58.6(14) . . . . ?
C9 C4 C5 C6 -60.2(13) . . . . ?
C10 P1 C3 C3 91.6(12) . . . 2_756 ?
C10 P1 C4 C5 179.8(9) . . . . ?
C10 P1 C4 C9 54.7(9) . . . . ?
C10 C11 C12 C13 -59(2) . . . . ?
C10 C11A C12A C13A -55(3) . . . . ?
C11 C10 C15 C14 -44(3) . . . . ?
C11 C12 C13 C14 58(2) . . . . ?
C11A C10 C15A C14A -62.1(19) . . . . ?
C11A C12A C13A C14A 60(3) . . . . ?
C12 C13 C14 C15 -52(3) . . . . ?
C12A C13A C14A C15A -63(3) . . . . ?
C13 C14 C15 C10 44(3) . . . . ?
C13A C14A C15A C10 59(2) . . . . ?
C15 C10 C11 C12 51(2) . . . . ?
C15A C10 C11A C12A 63(3) . . . . ?
S1A C18 C19 C20 161.1(12) . . . . ?
S1 C18 C19 C20 -174.0(8) . . . . ?
S2 C20 C21 C16 176.4(6) . . . . ?
S2A C20 C21 C16 -167.3(17) . . . . ?
S3 C24 C25 C26 180.0(6) . . . . ?
S4 C26 C27 C22 -179.4(6) . . . . ?
F1A S1A C18 C17 -53.2(17) . . . . ?
F1A S1A C18 C19 146.8(16) . . . . ?
F1 S1 C18 C17 -44.1(8) . . . . ?
F1 S1 C18 C19 131.6(8) . . . . ?
F2A S1A C18 C17 -145.5(18) . . . . ?
F2A S1A C18 C19 55(2) . . . . ?
F2 S1 C18 C17 -134.2(8) . . . . ?
F2 S1 C18 C19 41.5(9) . . . . ?
F3A S1A C18 C17 123.2(16) . . . . ?
F3A S1A C18 C19 -36.7(17) . . . . ?
F3 S1 C18 C17 136.8(8) . . . . ?
F3 S1 C18 C19 -47.5(9) . . . . ?
F4A S1A C18 C17 32(2) . . . . ?
F4A S1A C18 C19 -127.5(19) . . . . ?
F4 S1 C18 C17 45.7(8) . . . . ?
F4 S1 C18 C19 -138.6(9) . . . . ?
F5A S1A C18 C17 -92(8) . . . . ?
F5A S1A C18 C19 108(8) . . . . ?
F6 S2 C20 C19 45.9(9) . . . . ?
F6 S2 C20 C21 -132.4(8) . . . . ?
F6A S2A C20 C19 47(3) . . . . ?
F6A S2A C20 C21 -147(3) . . . . ?
F7 S2 C20 C19 -44.6(9) . . . . ?
F7 S2 C20 C21 137.1(8) . . . . ?
F7A S2A C20 C19 -48(3) . . . . ?
F7A S2A C20 C21 118(3) . . . . ?
F8 S2 C20 C19 -135.2(9) . . . . ?
F8 S2 C20 C21 46.5(9) . . . . ?
F8A S2A C20 C19 -124(3) . . . . ?
F8A S2A C20 C21 42(3) . . . . ?
F9 S2 C20 C19 136.1(11) . . . . ?
F9 S2 C20 C21 -42.2(11) . . . . ?
F9A S2A C20 C19 137(4) . . . . ?
F9A S2A C20 C21 -57(5) . . . . ?
F11 S3 C24 C23 -133.8(7) . . . . ?
F11 S3 C24 C25 44.6(7) . . . . ?
F12 S3 C24 C23 136.1(7) . . . . ?
F12 S3 C24 C25 -45.5(7) . . . . ?
F13 S3 C24 C23 46.2(7) . . . . ?
F13 S3 C24 C25 -135.3(7) . . . . ?
F14 S3 C24 C23 -43.5(7) . . . . ?
F14 S3 C24 C25 135.0(7) . . . . ?
F16 S4 C26 C25 43.6(7) . . . . ?
F16 S4 C26 C27 -137.3(7) . . . . ?
F17 S4 C26 C25 -45.3(7) . . . . ?
F17 S4 C26 C27 133.8(7) . . . . ?
F18 S4 C26 C25 -136.2(7) . . . . ?
F18 S4 C26 C27 42.9(7) . . . . ?
F19 S4 C26 C25 133.9(7) . . . . ?
F19 S4 C26 C27 -47.0(7) . . . . ?
C16 C17 C18 S1A -159.5(13) . . . . ?
C16 C17 C18 S1 174.8(7) . . . . ?
C16 C17 C18 C19 -0.9(13) . . . . ?
C17 C16 C21 C20 2.5(12) . . . . ?
C17 C16 B1 C16 -88.9(7) . . . 2_656 ?
C17 C16 B1 C22 148.4(7) . . . 2_656 ?
C17 C16 B1 C22 33.2(10) . . . . ?
C17 C18 C19 C20 1.6(14) . . . . ?
C18 C19 C20 S2 -178.5(8) . . . . ?
C18 C19 C20 S2A 164.9(18) . . . . ?
C18 C19 C20 C21 -0.2(14) . . . . ?
C19 C20 C21 C16 -1.9(14) . . . . ?
C21 C16 C17 C18 -1.2(11) . . . . ?
C21 C16 B1 C16 85.7(7) . . . 2_656 ?
C21 C16 B1 C22 -152.2(6) . . . . ?
C21 C16 B1 C22 -37.0(10) . . . 2_656 ?
C22 C23 C24 S3 179.3(6) . . . . ?
C22 C23 C24 C25 0.9(13) . . . . ?
C23 C22 C27 C26 -0.4(11) . . . . ?
C23 C22 B1 C16 33.5(10) . . . . ?
C23 C22 B1 C16 149.3(7) . . . 2_656 ?
C23 C22 B1 C22 -88.3(7) . . . 2_656 ?
C23 C24 C25 C26 -1.6(13) . . . . ?
C24 C25 C26 S4 -179.6(6) . . . . ?
C24 C25 C26 C27 1.4(13) . . . . ?
C25 C26 C27 C22 -0.4(13) . . . . ?
C27 C22 C23 C24 0.2(11) . . . . ?
C27 C22 B1 C16 -151.9(7) . . . . ?
C27 C22 B1 C16 -36.2(10) . . . 2_656 ?
C27 C22 B1 C22 86.3(7) . . . 2_656 ?
B1 C16 C17 C18 173.5(8) . . . . ?
B1 C16 C21 C20 -172.3(8) . . . . ?
B1 C22 C23 C24 175.0(7) . . . . ?
B1 C22 C27 C26 -175.2(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.484
_oxdiff_exptl_absorpt_empirical_full_min 0.587
####################################################################### 
# 
# 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_LD33E_h_a
_database_code_depnum_ccdc_archive 'CCDC 2126161'
loop_
_audit_author_name
_audit_author_address
'Huw Jenkins'
;University of York
United Kingdom
;
_audit_update_record             
;
2021-12-03 deposited with the CCDC.	2022-02-03 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_THETM01_LD33E_h_a           
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: Data were truncated to a resolution of 0.95 angstrom due to poor data
 quality beyond this threshold. 
;
_vrf_RINTA01_LD33E_h_a           
;
PROBLEM: The value of Rint is greater than 0.18
RESPONSE: Data from 9 crystals were merged. High Rint values are normal 
for electron diffraction data.
;
_vrf_PLAT213_LD33E_h_a           
;
PROBLEM: Atom F12             has ADP max/min Ratio .....        8.1 oblate
RESPONSE: Data from 9 crystals were combined, could represent unmodelled 
 disorder but likely poorly refined ADPs due to kinematic refinement against
 electron diffraction data. 
;
_vrf_PLAT020_LD33E_h_a           
;
PROBLEM: The Value of Rint is Greater Than 0.12 .........      0.191 Report
RESPONSE: Data from 9 crystals were merged. High Rint values are normal 
for electron diffraction data.
;
_vrf_PLAT082_LD33E_h_a           
;
PROBLEM: High R1 Value ..................................       0.16 Report
RESPONSE: This is normal for kinematic refinement against electron diffraction
data.
;
_vrf_PLAT084_LD33E_h_a           
;
PROBLEM: High wR2 Value (i.e. > 0.25) ...................       0.38 Report
RESPONSE: This is normal for kinematic refinement against electron diffraction
data.
;
_vrf_PLAT214_LD33E_h_a           
;
PROBLEM: Atom C10       (Anion/Solvent) ADP max/min Ratio        5.9 prolat
RESPONSE: Data from 9 crystals were combined, could represent unmodelled 
 disorder but likely poorly refined ADPs due to kinematic refinement against
 electron diffraction data. 
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C33 H60 P2 Rh, C24 H12 B F40 S8'
_chemical_formula_sum            'C57 H72 B F40 P2 Rh S8'
_chemical_formula_weight         1949.29

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0000 0.0000 'International Tables Vol C Tables 4.3.1.1 and 4.3.2.2'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.3.1.1 and 4.3.2.2'
B B 0.0000 0.0000 'International Tables Vol C Tables 4.3.1.1 and 4.3.2.2'
F F 0.0000 0.0000 'International Tables Vol C Tables 4.3.1.1 and 4.3.2.2'
P P 0.0000 0.0000 'International Tables Vol C Tables 4.3.1.1 and 4.3.2.2'
S S 0.0000 0.0000 'International Tables Vol C Tables 4.3.1.1 and 4.3.2.2'
Rh Rh 0.0000 0.0000 'International Tables Vol C Tables 4.3.1.1 and 4.3.2.2'

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

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

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

_cell_length_a                   19.5339(11)
_cell_length_b                   19.0160(14)
_cell_length_c                   20.3007(9)
_cell_angle_alpha                90
_cell_angle_beta                 91.727(5)
_cell_angle_gamma                90
_cell_volume                     7537.4(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    80(2)
_cell_measurement_reflns_used    3949
_cell_measurement_theta_min      0.053
_cell_measurement_theta_max      0.758
_exptl_crystal_description       'nano crystals'
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.718
_exptl_crystal_F_000             1269
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.0014
_exptl_crystal_size_mid          0.0005
_exptl_crystal_size_min          0.0001
_exptl_absorpt_coefficient_mu    0.000
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'electron diffraction, unknown absorption'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      80(2)
_diffrn_radiation_wavelength     0.02508
_diffrn_radiation_probe          electron
_diffrn_radiation_type           electron
_diffrn_source                   'electron microscope'
_diffrn_source_type              'Thermo Scientific Glacios'
_diffrn_measurement_device       'electron microscope'
_diffrn_measurement_device_type  'Thermo Scientific Glacios'
_diffrn_measurement_method       'profile fitting from continuous rotation'
_diffrn_detector                 CMOS
_diffrn_detector_type            'Thermo Scientific Ceta-D'
_diffrn_detector_area_resol_mean 35.7
_diffrn_reflns_number            35027
_diffrn_reflns_av_unetI/netI     0.1786
_diffrn_reflns_av_R_equivalents  0.1906
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         0.050
_diffrn_reflns_theta_max         0.756
_diffrn_reflns_theta_full        0.756
_diffrn_measured_fraction_theta_max 0.940
_diffrn_measured_fraction_theta_full 0.940
_diffrn_reflns_Laue_measured_fraction_max 0.940
_diffrn_reflns_Laue_measured_fraction_full 0.940
_diffrn_reflns_point_group_measured_fraction_max 0.940
_diffrn_reflns_point_group_measured_fraction_full 0.940
_reflns_number_total             8652
_reflns_number_gt                4374
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       EPU-D
_computing_cell_refinement       'DIALS (Winter et al., 2018)'
_computing_data_reduction        'DIALS (Winter et al., 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'ShelXle (Hübschle et al., 2011)'
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)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     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       75(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         8652
_refine_ls_number_parameters     983
_refine_ls_number_restraints     1470
_refine_ls_R_factor_all          0.2369
_refine_ls_R_factor_gt           0.1640
_refine_ls_wR_factor_ref         0.3800
_refine_ls_wR_factor_gt          0.3631
_refine_ls_goodness_of_fit_ref   1.671
_refine_ls_restrained_S_all      1.589
_refine_ls_shift/su_max          0.025
_refine_ls_shift/su_mean         0.003

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
P1 P 0.0177(3) 0.2024(4) 0.6791(2) 0.0276(19) Uani 1 1 d . . . . .
F1 F 0.4324(6) 0.0233(6) 0.5447(5) 0.050(3) Uani 1 1 d D . . . .
C2 C -0.0473(10) 0.4081(11) 0.7765(8) 0.098(6) Uani 1 1 d . U . . .
H2B H -0.102261 0.420290 0.783321 0.490 Uiso 1 1 calc R U . . .
H2A H -0.035090 0.357142 0.800753 0.490 Uiso 1 1 calc R U . . .
S4 S 0.5816(3) 0.0984(3) 0.9548(2) 0.0336(17) Uani 1 1 d D . . . .
F4 F 0.3567(5) 0.0926(7) 0.5981(5) 0.053(3) Uani 1 1 d D . . . .
C4 C 0.0739(10) 0.4355(13) 0.8016(8) 0.121(8) Uani 1 1 d . U . . .
H4A H 0.076644 0.384170 0.827465 0.604 Uiso 1 1 calc R U . . .
H4B H 0.110818 0.471975 0.826409 0.604 Uiso 1 1 calc R U . . .
S5 S 0.3783(3) 0.4319(3) 0.5649(2) 0.0324(17) Uani 1 1 d D . . . .
F5 F 0.3495(6) 0.0793(8) 0.4909(5) 0.066(4) Uani 1 1 d D . . . .
C5 C 0.0944(11) 0.4251(14) 0.7231(8) 0.139(8) Uani 1 1 d . U . . .
H5B H 0.141989 0.453624 0.711242 0.693 Uiso 1 1 calc R U . . .
H5A H 0.099453 0.368740 0.709714 0.693 Uiso 1 1 calc R U . . .
S6 S 0.3036(4) 0.4472(5) 0.8237(3) 0.080(3) Uani 1 1 d D . . . .
F6 F 0.6792(6) 0.0740(7) 0.7103(4) 0.055(4) Uani 1 1 d D . . . .
C6 C 0.0260(11) 0.4613(12) 0.6880(8) 0.104(6) Uani 1 1 d . U . . .
H6 H 0.033183 0.482924 0.637379 0.125 Uiso 1 1 calc R U . . .
S7 S 0.6237(3) 0.4317(3) 0.9290(2) 0.0335(17) Uani 1 1 d D . . . .
F7 F 0.6490(6) 0.0129(6) 0.6204(5) 0.055(3) Uani 1 1 d D . . . .
C7 C 0.0033(10) 0.5163(11) 0.7409(8) 0.102(7) Uani 1 1 d . U . . .
H7B H -0.046871 0.540437 0.727207 0.122 Uiso 1 1 calc R U . . .
H7A H 0.042164 0.558369 0.748511 0.122 Uiso 1 1 calc R U . . .
S8 S 0.7242(3) 0.4057(4) 0.6778(3) 0.060(2) Uani 1 1 d D . . . .
F8 F 0.6822(7) 0.1049(9) 0.5590(5) 0.068(4) Uani 1 1 d D . . . .
C8 C 0.0004(7) 0.1178(8) 0.7171(5) 0.051(5) Uani 1 1 d . . . . .
H8A H -0.052389 0.100678 0.703151 0.062 Uiso 1 1 calc R U . . .
H8B H 0.036620 0.077839 0.698735 0.062 Uiso 1 1 calc R U . . .
F9 F 0.7129(6) 0.1634(7) 0.6465(6) 0.059(3) Uani 1 1 d D . . . .
C9 C 0.0082(7) 0.1230(8) 0.7943(5) 0.055(5) Uani 1 1 d . . . . .
H9A H 0.062270 0.112392 0.809556 0.066 Uiso 1 1 calc R U . . .
H9B H -0.024265 0.082274 0.816960 0.066 Uiso 1 1 calc R U . . .
F10 F 0.7515(6) 0.0566(9) 0.6319(6) 0.080(5) Uani 1 1 d D . . . .
Rh1 Rh -0.00423(17) 0.2909(2) 0.74738(12) 0.0480(11) Uani 1 1 d . U . . .
S1 S 0.4087(3) 0.1032(3) 0.5401(2) 0.0383(18) Uani 1 1 d D . . . .
C10 C -0.0351(5) 0.2095(9) 0.6049(5) 0.042(4) Uani 1 1 d . U . . .
H10 H -0.017882 0.258859 0.580252 0.050 Uiso 1 1 calc R U . . .
F11 F 0.2790(6) 0.1864(6) 0.8671(6) 0.058(3) Uani 1 1 d D . . . .
C11 C -0.1115(6) 0.2212(10) 0.6184(5) 0.067(5) Uani 1 1 d . U . . .
H11A H -0.132899 0.173248 0.641052 0.080 Uiso 1 1 calc R U . . .
H11B H -0.116756 0.265369 0.653636 0.080 Uiso 1 1 calc R U . . .
F12 F 0.2967(5) 0.0975(7) 0.8040(4) 0.045(3) Uani 1 1 d D . . . .
C12 C -0.1512(7) 0.2379(10) 0.5552(6) 0.071(5) Uani 1 1 d . U . . .
H12A H -0.206607 0.239045 0.565629 0.085 Uiso 1 1 calc R U . . .
H12B H -0.136522 0.291234 0.538452 0.085 Uiso 1 1 calc R U . . .
F13 F 0.3289(6) 0.0324(6) 0.8903(6) 0.053(3) Uani 1 1 d D . . . .
C13 C -0.1403(7) 0.1881(11) 0.5016(7) 0.080(6) Uani 1 1 d . U . . .
H13A H -0.165263 0.209055 0.455835 0.096 Uiso 1 1 calc R U . . .
H13B H -0.165834 0.137750 0.513502 0.096 Uiso 1 1 calc R U . . .
F14 F 0.3096(6) 0.1267(8) 0.9557(5) 0.059(4) Uani 1 1 d D . . . .
C14 C -0.0664(6) 0.1736(10) 0.4887(5) 0.066(5) Uani 1 1 d . U . . .
H14A H -0.042361 0.221259 0.467841 0.079 Uiso 1 1 calc R U . . .
H14B H -0.062537 0.130373 0.452329 0.079 Uiso 1 1 calc R U . . .
F15 F 0.2298(5) 0.0874(8) 0.8886(6) 0.059(4) Uani 1 1 d D . . . .
C15 C -0.0282(7) 0.1527(10) 0.5542(6) 0.072(5) Uani 1 1 d . U . . .
H15A H -0.049903 0.102874 0.573021 0.086 Uiso 1 1 calc R U . . .
H15B H 0.026811 0.143760 0.544808 0.086 Uiso 1 1 calc R U . . .
F16 F 0.5393(5) 0.1123(7) 1.0191(4) 0.047(3) Uani 1 1 d D . . . .
C16 C 0.1084(6) 0.1949(8) 0.6522(5) 0.036(4) Uani 1 1 d . U . . .
H16 H 0.115558 0.142681 0.627777 0.043 Uiso 1 1 calc R U . . .
F17 F 0.5500(6) 0.0221(6) 0.9519(5) 0.051(3) Uani 1 1 d D . . . .
C17 C 0.1238(6) 0.2522(10) 0.6043(7) 0.066(5) Uani 1 1 d . U . . .
H17A H 0.110478 0.303757 0.626038 0.079 Uiso 1 1 calc R U . . .
H17B H 0.091779 0.244848 0.558736 0.079 Uiso 1 1 calc R U . . .
F18 F 0.6280(5) 0.0822(7) 0.8933(5) 0.050(3) Uani 1 1 d D . . . .
C18 C 0.2019(6) 0.2522(10) 0.5863(6) 0.071(5) Uani 1 1 d . U . . .
H18A H 0.211688 0.205606 0.555044 0.085 Uiso 1 1 calc R U . . .
H18B H 0.211997 0.299727 0.556368 0.085 Uiso 1 1 calc R U . . .
F19 F 0.6168(5) 0.1727(6) 0.9633(5) 0.040(3) Uani 1 1 d D . . . .
C19 C 0.2494(7) 0.2512(10) 0.6412(6) 0.071(5) Uani 1 1 d . U . . .
H19A H 0.248429 0.303027 0.666314 0.085 Uiso 1 1 calc R U . . .
H19B H 0.301826 0.243009 0.623029 0.085 Uiso 1 1 calc R U . . .
F20 F 0.6409(6) 0.0664(8) 0.9997(5) 0.066(4) Uani 1 1 d D . . . .
C1 C -0.0290(12) 0.4053(10) 0.6931(8) 0.115(7) Uani 1 1 d . U . . .
H1A H -0.009443 0.352772 0.678856 0.574 Uiso 1 1 calc R U . . .
H1B H -0.074790 0.418290 0.661775 0.574 Uiso 1 1 calc R U . . .
P2 P -0.0163(3) 0.2087(4) 0.8239(3) 0.0261(18) Uani 1 1 d . . . . .
F2 F 0.4575(6) 0.1099(7) 0.4798(4) 0.050(3) Uani 1 1 d D . . . .
B1 B 0.4980(6) 0.2607(7) 0.7486(5) 0.015(2) Uani 1 1 d . . . . .
S2 S 0.6778(3) 0.0894(4) 0.6336(3) 0.0470(19) Uani 1 1 d D . . . .
C20 C 0.2346(7) 0.1974(12) 0.6877(7) 0.098(7) Uani 1 1 d . U . . .
H20A H 0.270123 0.202714 0.731199 0.118 Uiso 1 1 calc R U . . .
H20B H 0.243920 0.145266 0.665038 0.118 Uiso 1 1 calc R U . . .
F21 F 0.3755(6) 0.3548(6) 0.5351(4) 0.044(3) Uani 1 1 d D . . . .
C21 C 0.1578(6) 0.2004(10) 0.7117(6) 0.069(5) Uani 1 1 d . U . . .
H21A H 0.148562 0.156451 0.746252 0.083 Uiso 1 1 calc R U . . .
H21B H 0.149056 0.250616 0.738000 0.083 Uiso 1 1 calc R U . . .
F22 F 0.2984(5) 0.4332(7) 0.5648(5) 0.046(3) Uani 1 1 d D . . . .
C22 C -0.1056(6) 0.1971(9) 0.8521(6) 0.045(4) Uani 1 1 d . U . . .
H22 H -0.104956 0.162954 0.897070 0.055 Uiso 1 1 calc R U . . .
F23 F 0.3798(7) 0.5107(6) 0.5888(5) 0.053(3) Uani 1 1 d D . . . .
C23 C -0.1535(7) 0.1657(11) 0.8003(7) 0.090(6) Uani 1 1 d . U . . .
H23A H -0.157967 0.201768 0.757371 0.108 Uiso 1 1 calc R U . . .
H23B H -0.132338 0.114992 0.783027 0.108 Uiso 1 1 calc R U . . .
F24 F 0.4585(5) 0.4320(7) 0.5584(6) 0.050(3) Uani 1 1 d D . . . .
C24 C -0.2237(8) 0.1535(11) 0.8278(8) 0.089(6) Uani 1 1 d . U . . .
H24A H -0.219386 0.118979 0.871832 0.107 Uiso 1 1 calc R U . . .
H24B H -0.257340 0.127076 0.790335 0.107 Uiso 1 1 calc R U . . .
F25 F 0.3725(7) 0.4588(8) 0.4916(5) 0.066(4) Uani 1 1 d D . . . .
C25 C -0.2560(7) 0.2269(10) 0.8475(7) 0.068(5) Uani 1 1 d . U . . .
H25A H -0.263207 0.260269 0.802919 0.082 Uiso 1 1 calc R U . . .
H25B H -0.306870 0.218458 0.869146 0.082 Uiso 1 1 calc R U . . .
F26 F 0.2375(6) 0.4500(11) 0.7787(6) 0.100(5) Uani 1 1 d D . . . .
C26 C -0.2093(7) 0.2629(11) 0.8963(8) 0.090(6) Uani 1 1 d . U . . .
H26A H -0.207900 0.232400 0.942959 0.107 Uiso 1 1 calc R U . . .
H26B H -0.230110 0.315851 0.907058 0.107 Uiso 1 1 calc R U . . .
F27 F 0.2796(7) 0.3746(8) 0.8501(6) 0.097(4) Uani 1 1 d D . . . .
C27 C -0.1316(7) 0.2711(12) 0.8702(9) 0.101(7) Uani 1 1 d . U . . .
H27A H -0.131314 0.305944 0.826394 0.121 Uiso 1 1 calc R U . . .
H27B H -0.097865 0.294489 0.909349 0.121 Uiso 1 1 calc R U . . .
F28 F 0.3644(8) 0.4468(10) 0.8758(5) 0.106(6) Uani 1 1 d D . . . .
C28 C 0.0336(5) 0.2268(8) 0.8972(5) 0.033(4) Uani 1 1 d . U . . .
H28 H 0.010553 0.275301 0.918736 0.040 Uiso 1 1 calc R U . . .
F29 F 0.3214(10) 0.5243(8) 0.7998(8) 0.114(5) Uani 1 1 d D . . . .
C29 C 0.0306(7) 0.1697(9) 0.9525(5) 0.058(5) Uani 1 1 d . U . . .
H29A H -0.023620 0.158138 0.963093 0.070 Uiso 1 1 calc R U . . .
H29B H 0.054721 0.120484 0.935151 0.070 Uiso 1 1 calc R U . . .
F30 F 0.2609(10) 0.4790(13) 0.8796(6) 0.146(8) Uani 1 1 d D . . . .
C30 C 0.0684(5) 0.1953(8) 1.0161(5) 0.045(4) Uani 1 1 d . U . . .
H30A H 0.040835 0.241306 1.036064 0.053 Uiso 1 1 calc R U . . .
H30B H 0.067741 0.152827 1.053566 0.053 Uiso 1 1 calc R U . . .
F31 F 0.5426(5) 0.4382(7) 0.9303(6) 0.048(3) Uani 1 1 d D . . . .
C31 C 0.1414(7) 0.2156(9) 1.0039(6) 0.054(4) Uani 1 1 d . U . . .
H31A H 0.170670 0.168039 0.990306 0.065 Uiso 1 1 calc R U . . .
H31B H 0.165041 0.237285 1.049990 0.065 Uiso 1 1 calc R U . . .
F32 F 0.6293(6) 0.5080(6) 0.8992(5) 0.045(3) Uani 1 1 d D . . . .
C32 C 0.1462(7) 0.2699(8) 0.9494(5) 0.053(4) Uani 1 1 d . U . . .
H32A H 0.200820 0.279316 0.938758 0.063 Uiso 1 1 calc R U . . .
H32B H 0.123819 0.320304 0.965993 0.063 Uiso 1 1 calc R U . . .
F33 F 0.7036(5) 0.4259(7) 0.9339(4) 0.043(3) Uani 1 1 d D . . . .
C33 C 0.1079(7) 0.2451(9) 0.8859(5) 0.058(5) Uani 1 1 d . U . . .
H33A H 0.110019 0.287373 0.848269 0.070 Uiso 1 1 calc R U . . .
H33B H 0.134245 0.198259 0.866243 0.070 Uiso 1 1 calc R U . . .
F34 F 0.6184(6) 0.3573(6) 0.9623(5) 0.045(3) Uani 1 1 d D . . . .
C34 C 0.5143(6) 0.2068(6) 0.6893(5) 0.018(3) Uani 1 1 d . . . . .
F35 F 0.6292(6) 0.4616(8) 1.0003(5) 0.064(4) Uani 1 1 d D . . . .
C35 C 0.4638(6) 0.1818(7) 0.6446(5) 0.031(3) Uani 1 1 d . . . . .
H35 H 0.411200 0.201981 0.647810 0.037 Uiso 1 1 calc R U . . .
F36 F 0.7332(7) 0.3279(7) 0.6553(6) 0.071(4) Uani 1 1 d D . . . .
C36 C 0.4781(6) 0.1328(7) 0.5968(5) 0.024(3) Uani 1 1 d . . . . .
F37 F 0.6673(7) 0.4139(10) 0.6220(5) 0.092(5) Uani 1 1 d D . . . .
C37 C 0.5440(6) 0.1045(8) 0.5896(6) 0.043(4) Uani 1 1 d . . . . .
H37 H 0.554814 0.066175 0.550635 0.052 Uiso 1 1 calc R U . . .
F38 F 0.7191(9) 0.4850(7) 0.6974(6) 0.090(5) Uani 1 1 d D . . . .
C38 C 0.5945(6) 0.1272(7) 0.6340(5) 0.031(3) Uani 1 1 d . . . . .
F39 F 0.7852(6) 0.3993(10) 0.7305(5) 0.082(5) Uani 1 1 d D . . . .
C39 C 0.5790(6) 0.1771(7) 0.6833(5) 0.032(3) Uani 1 1 d . . . . .
H39 H 0.620066 0.193114 0.718473 0.039 Uiso 1 1 calc R U . . .
F40 F 0.7790(8) 0.4266(10) 0.6258(6) 0.098(5) Uani 1 1 d D . . . .
C40 C 0.4776(6) 0.2108(7) 0.8118(5) 0.023(3) Uani 1 1 d . . . . .
C41 C 0.4115(6) 0.1879(7) 0.8213(5) 0.028(3) Uani 1 1 d . . . . .
H41 H 0.369801 0.208486 0.789147 0.034 Uiso 1 1 calc R U . . .
C42 C 0.3957(6) 0.1383(7) 0.8715(5) 0.031(3) Uani 1 1 d . . . . .
C43 C 0.4459(6) 0.1131(7) 0.9121(5) 0.033(3) Uani 1 1 d . . . . .
H43 H 0.433820 0.076105 0.951737 0.040 Uiso 1 1 calc R U . . .
C44 C 0.5128(6) 0.1343(6) 0.9033(5) 0.022(3) Uani 1 1 d . . . . .
C45 C 0.5278(6) 0.1791(7) 0.8541(4) 0.029(3) Uani 1 1 d . . . . .
H45 H 0.581901 0.191717 0.846382 0.034 Uiso 1 1 calc R U . . .
C46 C 0.4368(5) 0.3175(6) 0.7281(5) 0.019(3) Uani 1 1 d . . . . .
C47 C 0.4297(5) 0.3452(6) 0.6654(4) 0.016(3) Uani 1 1 d . . . . .
H47 H 0.461431 0.323337 0.626577 0.020 Uiso 1 1 calc R U . . .
C48 C 0.3834(6) 0.4004(7) 0.6484(5) 0.031(3) Uani 1 1 d . . . . .
C49 C 0.3433(6) 0.4311(7) 0.6954(5) 0.038(4) Uani 1 1 d . . . . .
H49 H 0.307735 0.474274 0.682923 0.046 Uiso 1 1 calc R U . . .
C50 C 0.3503(6) 0.4041(8) 0.7615(5) 0.041(4) Uani 1 1 d . . . . .
C51 C 0.3947(5) 0.3495(7) 0.7764(5) 0.026(3) Uani 1 1 d . . . . .
H51 H 0.397895 0.329678 0.827295 0.031 Uiso 1 1 calc R U . . .
C52 C 0.5633(6) 0.3129(7) 0.7700(5) 0.023(3) Uani 1 1 d . . . . .
C53 C 0.5685(5) 0.3426(6) 0.8316(5) 0.016(3) Uani 1 1 d . . . . .
H53 H 0.532511 0.326378 0.869367 0.019 Uiso 1 1 calc R U . . .
C54 C 0.6197(6) 0.3943(7) 0.8477(5) 0.024(3) Uani 1 1 d . . . . .
C55 C 0.6654(6) 0.4162(7) 0.8022(5) 0.027(3) Uani 1 1 d . . . . .
H55 H 0.703913 0.456888 0.813920 0.033 Uiso 1 1 calc R U . . .
C56 C 0.6605(6) 0.3828(8) 0.7369(5) 0.040(4) Uani 1 1 d . . . . .
C57 C 0.6103(5) 0.3359(6) 0.7209(5) 0.022(3) Uani 1 1 d . . . . .
H57 H 0.605412 0.315349 0.670307 0.027 Uiso 1 1 calc R U . . .
S3 S 0.3064(3) 0.1106(4) 0.8802(3) 0.0381(17) Uani 1 1 d D . . . .
F3 F 0.3828(6) 0.1804(6) 0.5282(5) 0.050(3) Uani 1 1 d D . . . .
C3 C -0.0018(9) 0.4668(12) 0.8049(9) 0.100(6) Uani 1 1 d . U . . .
H3 H -0.017111 0.491847 0.852183 0.120 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
P1 C10 1.807(10) . ?
P1 C8 1.820(16) . ?
P1 C16 1.876(13) . ?
P1 Rh1 2.229(7) . ?
F1 S1 1.590(11) . ?
C2 C3 1.53(2) . ?
C2 C1 1.74(2) . ?
C2 Rh1 2.46(2) . ?
C2 H2B 1.1100 . ?
C2 H2A 1.1100 . ?
S4 F17 1.578(10) . ?
S4 F20 1.576(10) . ?
S4 F19 1.579(10) . ?
S4 F16 1.589(10) . ?
S4 F18 1.595(10) . ?
S4 C44 1.810(12) . ?
F4 S1 1.591(10) . ?
C4 C3 1.60(2) . ?
C4 C5 1.67(2) . ?
C4 H4A 1.1100 . ?
C4 H4B 1.1100 . ?
S5 F22 1.562(10) . ?
S5 F25 1.573(10) . ?
S5 F24 1.575(10) . ?
S5 F23 1.574(11) . ?
S5 F21 1.586(10) . ?
S5 C48 1.798(11) . ?
F5 S1 1.572(10) . ?
C5 C6 1.65(3) . ?
C5 H5B 1.1100 . ?
C5 H5A 1.1100 . ?
S6 F30 1.552(11) . ?
S6 F27 1.558(13) . ?
S6 F26 1.561(11) . ?
S6 F28 1.567(11) . ?
S6 F29 1.587(13) . ?
S6 C50 1.780(13) . ?
F6 S2 1.583(9) . ?
C6 C1 1.52(2) . ?
C6 C7 1.57(3) . ?
C6 H6 1.1200 . ?
S7 F35 1.556(9) . ?
S7 F33 1.564(10) . ?
S7 F34 1.571(10) . ?
S7 F32 1.578(10) . ?
S7 F31 1.589(10) . ?
S7 C54 1.798(11) . ?
F7 S2 1.580(11) . ?
C7 C3 1.61(2) . ?
C7 H7B 1.1100 . ?
C7 H7A 1.1100 . ?
S8 F36 1.559(12) . ?
S8 F38 1.563(12) . ?
S8 F37 1.570(11) . ?
S8 F40 1.577(11) . ?
S8 F39 1.583(10) . ?
S8 C56 1.808(13) . ?
F8 S2 1.548(10) . ?
C8 C9 1.572(16) . ?
C8 H8A 1.1100 . ?
C8 H8B 1.1100 . ?
F9 S2 1.583(11) . ?
C9 P2 1.807(16) . ?
C9 H9A 1.1100 . ?
C9 H9B 1.1100 . ?
F10 S2 1.569(11) . ?
Rh1 P2 2.222(7) . ?
Rh1 C1 2.479(19) . ?
S1 F3 1.569(10) . ?
S1 F2 1.579(10) . ?
S1 C36 1.840(12) . ?
C10 C15 1.501(18) . ?
C10 C11 1.541(16) . ?
C10 H10 1.1200 . ?
F11 S3 1.558(11) . ?
C11 C12 1.513(15) . ?
C11 H11A 1.1100 . ?
C11 H11B 1.1100 . ?
F12 S3 1.573(9) . ?
C12 C13 1.461(19) . ?
C12 H12A 1.1100 . ?
C12 H12B 1.1100 . ?
F13 S3 1.562(11) . ?
C13 C14 1.500(17) . ?
C13 H13A 1.1100 . ?
C13 H13B 1.1100 . ?
F14 S3 1.562(10) . ?
C14 C15 1.556(16) . ?
C14 H14A 1.1100 . ?
C14 H14B 1.1100 . ?
F15 S3 1.575(10) . ?
C15 H15A 1.1100 . ?
C15 H15B 1.1100 . ?
C16 C17 1.496(17) . ?
C16 C21 1.525(15) . ?
C16 H16 1.1200 . ?
C17 C18 1.579(17) . ?
C17 H17A 1.1100 . ?
C17 H17B 1.1100 . ?
C18 C19 1.429(15) . ?
C18 H18A 1.1100 . ?
C18 H18B 1.1100 . ?
C19 C20 1.43(2) . ?
C19 H19A 1.1100 . ?
C19 H19B 1.1100 . ?
C1 H1A 1.1100 . ?
C1 H1B 1.1100 . ?
P2 C28 1.788(11) . ?
P2 C22 1.866(14) . ?
B1 C34 1.620(16) . ?
B1 C40 1.655(15) . ?
B1 C46 1.654(16) . ?
B1 C52 1.665(15) . ?
S2 C38 1.779(13) . ?
C20 C21 1.593(18) . ?
C20 H20A 1.1100 . ?
C20 H20B 1.1100 . ?
C21 H21A 1.1100 . ?
C21 H21B 1.1100 . ?
C22 C23 1.510(16) . ?
C22 C27 1.54(2) . ?
C22 H22 1.1200 . ?
C23 C24 1.515(19) . ?
C23 H23A 1.1100 . ?
C23 H23B 1.1100 . ?
C24 C25 1.59(2) . ?
C24 H24A 1.1100 . ?
C24 H24B 1.1100 . ?
C25 C26 1.493(19) . ?
C25 H25A 1.1100 . ?
C25 H25B 1.1100 . ?
C26 C27 1.63(2) . ?
C26 H26A 1.1100 . ?
C26 H26B 1.1100 . ?
C27 H27A 1.1100 . ?
C27 H27B 1.1100 . ?
C28 C33 1.516(16) . ?
C28 C29 1.563(17) . ?
C28 H28 1.1200 . ?
C29 C30 1.546(15) . ?
C29 H29A 1.1100 . ?
C29 H29B 1.1100 . ?
C30 C31 1.506(16) . ?
C30 H30A 1.1100 . ?
C30 H30B 1.1100 . ?
C31 C32 1.518(17) . ?
C31 H31A 1.1100 . ?
C31 H31B 1.1100 . ?
C32 C33 1.544(16) . ?
C32 H32A 1.1100 . ?
C32 H32B 1.1100 . ?
C33 H33A 1.1100 . ?
C33 H33B 1.1100 . ?
C34 C39 1.393(15) . ?
C34 C35 1.403(14) . ?
C35 C36 1.382(15) . ?
C35 H35 1.1000 . ?
C36 C37 1.407(16) . ?
C37 C38 1.386(15) . ?
C37 H37 1.1000 . ?
C38 C39 1.420(16) . ?
C39 H39 1.1000 . ?
C40 C41 1.380(15) . ?
C40 C45 1.418(14) . ?
C41 C42 1.429(15) . ?
C41 H41 1.1000 . ?
C42 C43 1.351(15) . ?
C42 S3 1.834(13) . ?
C43 C44 1.385(15) . ?
C43 H43 1.1000 . ?
C44 C45 1.352(15) . ?
C45 H45 1.1000 . ?
C46 C47 1.379(13) . ?
C46 C51 1.434(14) . ?
C47 C48 1.422(15) . ?
C47 H47 1.1000 . ?
C48 C49 1.381(15) . ?
C49 C50 1.439(15) . ?
C49 H49 1.1000 . ?
C50 C51 1.381(16) . ?
C51 H51 1.1000 . ?
C52 C53 1.371(13) . ?
C52 C57 1.444(14) . ?
C53 C54 1.434(15) . ?
C53 H53 1.1000 . ?
C54 C55 1.368(14) . ?
C55 C56 1.470(15) . ?
C55 H55 1.1000 . ?
C56 C57 1.358(15) . ?
C57 H57 1.1000 . ?
C3 H3 1.1200 . ?

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
C10 P1 C8 108.1(7) . . ?
C10 P1 C16 106.5(5) . . ?
C8 P1 C16 104.2(7) . . ?
C10 P1 Rh1 110.3(6) . . ?
C8 P1 Rh1 111.3(5) . . ?
C16 P1 Rh1 116.1(5) . . ?
C3 C2 C1 104.8(14) . . ?
C3 C2 Rh1 123.5(14) . . ?
C1 C2 Rh1 69.9(9) . . ?
C3 C2 H2B 110.8 . . ?
C1 C2 H2B 110.8 . . ?
Rh1 C2 H2B 123.9 . . ?
C3 C2 H2A 110.8 . . ?
C1 C2 H2A 110.8 . . ?
Rh1 C2 H2A 40.9 . . ?
H2B C2 H2A 108.9 . . ?
F17 S4 F20 86.9(8) . . ?
F17 S4 F19 174.9(6) . . ?
F20 S4 F19 88.4(7) . . ?
F17 S4 F16 88.4(7) . . ?
F20 S4 F16 88.8(7) . . ?
F19 S4 F16 89.7(7) . . ?
F17 S4 F18 91.4(8) . . ?
F20 S4 F18 87.3(7) . . ?
F19 S4 F18 90.2(7) . . ?
F16 S4 F18 176.2(7) . . ?
F17 S4 C44 92.5(6) . . ?
F20 S4 C44 179.4(8) . . ?
F19 S4 C44 92.2(6) . . ?
F16 S4 C44 90.9(6) . . ?
F18 S4 C44 92.9(5) . . ?
C3 C4 C5 109.5(14) . . ?
C3 C4 H4A 109.8 . . ?
C5 C4 H4A 109.8 . . ?
C3 C4 H4B 109.8 . . ?
C5 C4 H4B 109.8 . . ?
H4A C4 H4B 108.2 . . ?
F22 S5 F25 87.2(7) . . ?
F22 S5 F24 175.1(7) . . ?
F25 S5 F24 88.0(7) . . ?
F22 S5 F23 89.6(8) . . ?
F25 S5 F23 89.1(8) . . ?
F24 S5 F23 91.0(8) . . ?
F22 S5 F21 89.4(7) . . ?
F25 S5 F21 86.5(7) . . ?
F24 S5 F21 89.6(7) . . ?
F23 S5 F21 175.5(7) . . ?
F22 S5 C48 91.8(6) . . ?
F25 S5 C48 178.8(8) . . ?
F24 S5 C48 93.0(6) . . ?
F23 S5 C48 91.5(7) . . ?
F21 S5 C48 93.0(6) . . ?
C6 C5 C4 98.6(15) . . ?
C6 C5 H5B 112.1 . . ?
C4 C5 H5B 112.1 . . ?
C6 C5 H5A 112.1 . . ?
C4 C5 H5A 112.1 . . ?
H5B C5 H5A 109.7 . . ?
F30 S6 F27 85.3(12) . . ?
F30 S6 F26 87.8(9) . . ?
F27 S6 F26 88.8(11) . . ?
F30 S6 F28 85.5(9) . . ?
F27 S6 F28 89.6(11) . . ?
F26 S6 F28 173.2(8) . . ?
F30 S6 F29 89.5(13) . . ?
F27 S6 F29 174.3(10) . . ?
F26 S6 F29 88.5(11) . . ?
F28 S6 F29 92.4(12) . . ?
F30 S6 C50 175.5(13) . . ?
F27 S6 C50 90.2(8) . . ?
F26 S6 C50 91.9(7) . . ?
F28 S6 C50 94.8(7) . . ?
F29 S6 C50 94.9(9) . . ?
C1 C6 C5 104.1(18) . . ?
C1 C6 C7 101.9(17) . . ?
C5 C6 C7 103.0(13) . . ?
C1 C6 H6 115.4 . . ?
C5 C6 H6 115.4 . . ?
C7 C6 H6 115.4 . . ?
F35 S7 F33 85.8(6) . . ?
F35 S7 F34 86.2(8) . . ?
F33 S7 F34 89.3(7) . . ?
F35 S7 F32 90.9(8) . . ?
F33 S7 F32 90.5(7) . . ?
F34 S7 F32 177.1(7) . . ?
F35 S7 F31 89.8(7) . . ?
F33 S7 F31 175.5(7) . . ?
F34 S7 F31 89.2(7) . . ?
F32 S7 F31 90.8(7) . . ?
F35 S7 C54 177.7(8) . . ?
F33 S7 C54 92.6(6) . . ?
F34 S7 C54 92.1(6) . . ?
F32 S7 C54 90.7(6) . . ?
F31 S7 C54 91.7(6) . . ?
C6 C7 C3 100.8(16) . . ?
C6 C7 H7B 111.6 . . ?
C3 C7 H7B 111.6 . . ?
C6 C7 H7A 111.6 . . ?
C3 C7 H7A 111.6 . . ?
H7B C7 H7A 109.4 . . ?
F36 S8 F38 176.2(9) . . ?
F36 S8 F37 88.1(10) . . ?
F38 S8 F37 92.2(10) . . ?
F36 S8 F40 87.6(9) . . ?
F38 S8 F40 88.7(10) . . ?
F37 S8 F40 88.4(8) . . ?
F36 S8 F39 92.0(9) . . ?
F38 S8 F39 87.4(10) . . ?
F37 S8 F39 176.1(8) . . ?
F40 S8 F39 87.7(8) . . ?
F36 S8 C56 93.0(8) . . ?
F38 S8 C56 90.8(8) . . ?
F37 S8 C56 90.9(7) . . ?
F40 S8 C56 179.1(11) . . ?
F39 S8 C56 93.0(6) . . ?
C9 C8 P1 110.6(10) . . ?
C9 C8 H8A 109.5 . . ?
P1 C8 H8A 109.5 . . ?
C9 C8 H8B 109.5 . . ?
P1 C8 H8B 109.5 . . ?
H8A C8 H8B 108.1 . . ?
C8 C9 P2 111.7(10) . . ?
C8 C9 H9A 109.3 . . ?
P2 C9 H9A 109.3 . . ?
C8 C9 H9B 109.3 . . ?
P2 C9 H9B 109.3 . . ?
H9A C9 H9B 107.9 . . ?
P2 Rh1 P1 86.0(3) . . ?
P2 Rh1 C2 115.1(5) . . ?
P1 Rh1 C2 155.0(5) . . ?
P2 Rh1 C1 154.8(6) . . ?
P1 Rh1 C1 115.1(5) . . ?
C2 Rh1 C1 41.3(6) . . ?
F3 S1 F5 86.9(8) . . ?
F3 S1 F2 90.3(7) . . ?
F5 S1 F2 88.9(7) . . ?
F3 S1 F1 174.3(6) . . ?
F5 S1 F1 88.2(8) . . ?
F2 S1 F1 86.6(7) . . ?
F3 S1 F4 91.3(8) . . ?
F5 S1 F4 87.7(7) . . ?
F2 S1 F4 176.2(7) . . ?
F1 S1 F4 91.5(8) . . ?
F3 S1 C36 92.2(6) . . ?
F5 S1 C36 178.9(8) . . ?
F2 S1 C36 90.6(6) . . ?
F1 S1 C36 92.7(6) . . ?
F4 S1 C36 92.9(6) . . ?
C15 C10 C11 109.5(11) . . ?
C15 C10 P1 117.2(10) . . ?
C11 C10 P1 113.2(8) . . ?
C15 C10 H10 105.3 . . ?
C11 C10 H10 105.3 . . ?
P1 C10 H10 105.3 . . ?
C12 C11 C10 110.7(10) . . ?
C12 C11 H11A 109.5 . . ?
C10 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 108.1 . . ?
C13 C12 C11 114.4(14) . . ?
C13 C12 H12A 108.7 . . ?
C11 C12 H12A 108.7 . . ?
C13 C12 H12B 108.7 . . ?
C11 C12 H12B 108.7 . . ?
H12A C12 H12B 107.6 . . ?
C12 C13 C14 114.2(12) . . ?
C12 C13 H13A 108.7 . . ?
C14 C13 H13A 108.7 . . ?
C12 C13 H13B 108.7 . . ?
C14 C13 H13B 108.7 . . ?
H13A C13 H13B 107.6 . . ?
C13 C14 C15 109.7(11) . . ?
C13 C14 H14A 109.7 . . ?
C15 C14 H14A 109.7 . . ?
C13 C14 H14B 109.7 . . ?
C15 C14 H14B 109.7 . . ?
H14A C14 H14B 108.2 . . ?
C10 C15 C14 110.5(13) . . ?
C10 C15 H15A 109.5 . . ?
C14 C15 H15A 109.5 . . ?
C10 C15 H15B 109.6 . . ?
C14 C15 H15B 109.6 . . ?
H15A C15 H15B 108.1 . . ?
C17 C16 C21 109.2(12) . . ?
C17 C16 P1 110.1(10) . . ?
C21 C16 P1 110.1(8) . . ?
C17 C16 H16 109.1 . . ?
C21 C16 H16 109.1 . . ?
P1 C16 H16 109.1 . . ?
C16 C17 C18 111.4(12) . . ?
C16 C17 H17A 109.3 . . ?
C18 C17 H17A 109.3 . . ?
C16 C17 H17B 109.4 . . ?
C18 C17 H17B 109.3 . . ?
H17A C17 H17B 108.0 . . ?
C19 C18 C17 115.4(12) . . ?
C19 C18 H18A 108.4 . . ?
C17 C18 H18A 108.4 . . ?
C19 C18 H18B 108.4 . . ?
C17 C18 H18B 108.4 . . ?
H18A C18 H18B 107.5 . . ?
C18 C19 C20 112.7(13) . . ?
C18 C19 H19A 109.0 . . ?
C20 C19 H19A 109.0 . . ?
C18 C19 H19B 109.1 . . ?
C20 C19 H19B 109.0 . . ?
H19A C19 H19B 107.8 . . ?
C6 C1 C2 102.2(14) . . ?
C6 C1 Rh1 121.1(15) . . ?
C2 C1 Rh1 68.8(8) . . ?
C6 C1 H1A 111.3 . . ?
C2 C1 H1A 111.3 . . ?
Rh1 C1 H1A 42.5 . . ?
C6 C1 H1B 111.3 . . ?
C2 C1 H1B 111.3 . . ?
Rh1 C1 H1B 126.4 . . ?
H1A C1 H1B 109.2 . . ?
C28 P2 C9 108.0(7) . . ?
C28 P2 C22 105.0(6) . . ?
C9 P2 C22 104.8(8) . . ?
C28 P2 Rh1 112.3(5) . . ?
C9 P2 Rh1 111.5(5) . . ?
C22 P2 Rh1 114.7(5) . . ?
C34 B1 C40 105.7(10) . . ?
C34 B1 C46 112.5(8) . . ?
C40 B1 C46 112.4(9) . . ?
C34 B1 C52 113.9(9) . . ?
C40 B1 C52 109.9(7) . . ?
C46 B1 C52 102.6(10) . . ?
F8 S2 F10 88.6(8) . . ?
F8 S2 F7 92.2(8) . . ?
F10 S2 F7 87.3(9) . . ?
F8 S2 F6 175.8(8) . . ?
F10 S2 F6 87.7(7) . . ?
F7 S2 F6 89.6(7) . . ?
F8 S2 F9 87.5(9) . . ?
F10 S2 F9 88.0(8) . . ?
F7 S2 F9 175.3(8) . . ?
F6 S2 F9 90.4(8) . . ?
F8 S2 C38 90.3(6) . . ?
F10 S2 C38 178.9(8) . . ?
F7 S2 C38 92.9(7) . . ?
F6 S2 C38 93.4(6) . . ?
F9 S2 C38 91.8(7) . . ?
C19 C20 C21 112.7(14) . . ?
C19 C20 H20A 109.0 . . ?
C21 C20 H20A 109.0 . . ?
C19 C20 H20B 109.0 . . ?
C21 C20 H20B 109.0 . . ?
H20A C20 H20B 107.8 . . ?
C16 C21 C20 109.6(11) . . ?
C16 C21 H21A 109.8 . . ?
C20 C21 H21A 109.8 . . ?
C16 C21 H21B 109.8 . . ?
C20 C21 H21B 109.8 . . ?
H21A C21 H21B 108.2 . . ?
C23 C22 C27 109.0(13) . . ?
C23 C22 P2 113.5(9) . . ?
C27 C22 P2 106.4(11) . . ?
C23 C22 H22 109.3 . . ?
C27 C22 H22 109.3 . . ?
P2 C22 H22 109.3 . . ?
C24 C23 C22 110.6(12) . . ?
C24 C23 H23A 109.5 . . ?
C22 C23 H23A 109.5 . . ?
C24 C23 H23B 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 108.1 . . ?
C23 C24 C25 109.2(15) . . ?
C23 C24 H24A 109.8 . . ?
C25 C24 H24A 109.8 . . ?
C23 C24 H24B 109.8 . . ?
C25 C24 H24B 109.8 . . ?
H24A C24 H24B 108.3 . . ?
C26 C25 C24 109.3(13) . . ?
C26 C25 H25A 109.8 . . ?
C24 C25 H25A 109.8 . . ?
C26 C25 H25B 109.8 . . ?
C24 C25 H25B 109.8 . . ?
H25A C25 H25B 108.3 . . ?
C25 C26 C27 112.6(13) . . ?
C25 C26 H26A 109.1 . . ?
C27 C26 H26A 109.1 . . ?
C25 C26 H26B 109.1 . . ?
C27 C26 H26B 109.1 . . ?
H26A C26 H26B 107.8 . . ?
C22 C27 C26 107.9(16) . . ?
C22 C27 H27A 110.1 . . ?
C26 C27 H27A 110.1 . . ?
C22 C27 H27B 110.1 . . ?
C26 C27 H27B 110.1 . . ?
H27A C27 H27B 108.5 . . ?
C33 C28 C29 108.9(10) . . ?
C33 C28 P2 114.7(8) . . ?
C29 C28 P2 115.6(9) . . ?
C33 C28 H28 105.5 . . ?
C29 C28 H28 105.5 . . ?
P2 C28 H28 105.5 . . ?
C30 C29 C28 110.7(12) . . ?
C30 C29 H29A 109.5 . . ?
C28 C29 H29A 109.5 . . ?
C30 C29 H29B 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 108.1 . . ?
C31 C30 C29 111.9(10) . . ?
C31 C30 H30A 109.2 . . ?
C29 C30 H30A 109.2 . . ?
C31 C30 H30B 109.2 . . ?
C29 C30 H30B 109.2 . . ?
H30A C30 H30B 107.9 . . ?
C30 C31 C32 111.9(11) . . ?
C30 C31 H31A 109.2 . . ?
C32 C31 H31A 109.2 . . ?
C30 C31 H31B 109.2 . . ?
C32 C31 H31B 109.2 . . ?
H31A C31 H31B 107.9 . . ?
C31 C32 C33 111.3(12) . . ?
C31 C32 H32A 109.4 . . ?
C33 C32 H32A 109.4 . . ?
C31 C32 H32B 109.4 . . ?
C33 C32 H32B 109.4 . . ?
H32A C32 H32B 108.0 . . ?
C28 C33 C32 112.7(10) . . ?
C28 C33 H33A 109.1 . . ?
C32 C33 H33A 109.1 . . ?
C28 C33 H33B 109.1 . . ?
C32 C33 H33B 109.1 . . ?
H33A C33 H33B 107.8 . . ?
C39 C34 C35 115.4(11) . . ?
C39 C34 B1 121.4(10) . . ?
C35 C34 B1 122.9(10) . . ?
C36 C35 C34 122.0(12) . . ?
C36 C35 H35 119.0 . . ?
C34 C35 H35 119.0 . . ?
C35 C36 C37 122.4(11) . . ?
C35 C36 S1 119.1(9) . . ?
C37 C36 S1 118.5(9) . . ?
C36 C37 C38 116.7(12) . . ?
C36 C37 H37 121.6 . . ?
C38 C37 H37 121.7 . . ?
C37 C38 C39 120.3(12) . . ?
C37 C38 S2 120.4(10) . . ?
C39 C38 S2 119.2(9) . . ?
C34 C39 C38 123.1(11) . . ?
C34 C39 H39 118.5 . . ?
C38 C39 H39 118.5 . . ?
C41 C40 C45 114.5(11) . . ?
C41 C40 B1 122.4(9) . . ?
C45 C40 B1 122.3(10) . . ?
C40 C41 C42 122.0(11) . . ?
C40 C41 H41 119.0 . . ?
C42 C41 H41 119.0 . . ?
C43 C42 C41 120.0(11) . . ?
C43 C42 S3 120.9(10) . . ?
C41 C42 S3 119.0(9) . . ?
C42 C43 C44 119.3(12) . . ?
C42 C43 H43 120.3 . . ?
C44 C43 H43 120.4 . . ?
C45 C44 C43 120.3(11) . . ?
C45 C44 S4 119.5(9) . . ?
C43 C44 S4 120.2(9) . . ?
C44 C45 C40 123.7(11) . . ?
C44 C45 H45 118.2 . . ?
C40 C45 H45 118.2 . . ?
C47 C46 C51 115.1(10) . . ?
C47 C46 B1 122.3(9) . . ?
C51 C46 B1 121.9(8) . . ?
C46 C47 C48 123.5(10) . . ?
C46 C47 H47 118.2 . . ?
C48 C47 H47 118.2 . . ?
C49 C48 C47 120.9(10) . . ?
C49 C48 S5 119.6(10) . . ?
C47 C48 S5 119.4(9) . . ?
C48 C49 C50 116.9(12) . . ?
C48 C49 H49 121.5 . . ?
C50 C49 H49 121.5 . . ?
C51 C50 C49 121.0(11) . . ?
C51 C50 S6 121.5(9) . . ?
C49 C50 S6 117.4(10) . . ?
C50 C51 C46 122.6(10) . . ?
C50 C51 H51 118.7 . . ?
C46 C51 H51 118.7 . . ?
C53 C52 C57 118.3(10) . . ?
C53 C52 B1 121.2(10) . . ?
C57 C52 B1 119.9(8) . . ?
C52 C53 C54 121.4(10) . . ?
C52 C53 H53 119.3 . . ?
C54 C53 H53 119.3 . . ?
C55 C54 C53 121.3(9) . . ?
C55 C54 S7 119.3(9) . . ?
C53 C54 S7 119.4(8) . . ?
C54 C55 C56 116.8(11) . . ?
C54 C55 H55 121.6 . . ?
C56 C55 H55 121.6 . . ?
C57 C56 C55 121.8(11) . . ?
C57 C56 S8 120.4(9) . . ?
C55 C56 S8 117.9(9) . . ?
C56 C57 C52 120.2(9) . . ?
C56 C57 H57 119.9 . . ?
C52 C57 H57 119.9 . . ?
F11 S3 F14 89.4(8) . . ?
F11 S3 F13 175.5(8) . . ?
F14 S3 F13 93.1(8) . . ?
F11 S3 F15 87.3(8) . . ?
F14 S3 F15 87.6(7) . . ?
F13 S3 F15 89.1(8) . . ?
F11 S3 F12 87.0(8) . . ?
F14 S3 F12 174.9(8) . . ?
F13 S3 F12 90.2(7) . . ?
F15 S3 F12 88.6(6) . . ?
F11 S3 C42 92.3(7) . . ?
F14 S3 C42 91.6(6) . . ?
F13 S3 C42 91.3(7) . . ?
F15 S3 C42 179.2(8) . . ?
F12 S3 C42 92.2(6) . . ?
C2 C3 C4 104.0(18) . . ?
C2 C3 C7 99.9(13) . . ?
C4 C3 C7 95.9(16) . . ?
C2 C3 H3 117.8 . . ?
C4 C3 H3 117.8 . . ?
C7 C3 H3 117.8 . . ?

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
C3 C4 C5 C6 6(2) . . . . ?
C4 C5 C6 C1 -78(2) . . . . ?
C4 C5 C6 C7 29(2) . . . . ?
C1 C6 C7 C3 54.0(17) . . . . ?
C5 C6 C7 C3 -53.7(17) . . . . ?
C10 P1 C8 C9 -147.9(9) . . . . ?
C16 P1 C8 C9 99.2(10) . . . . ?
Rh1 P1 C8 C9 -26.7(11) . . . . ?
P1 C8 C9 P2 32.7(14) . . . . ?
C8 P1 C10 C15 -56.5(13) . . . . ?
C16 P1 C10 C15 55.0(13) . . . . ?
Rh1 P1 C10 C15 -178.3(10) . . . . ?
C8 P1 C10 C11 72.5(14) . . . . ?
C16 P1 C10 C11 -176.1(12) . . . . ?
Rh1 P1 C10 C11 -49.3(13) . . . . ?
C15 C10 C11 C12 -55.9(19) . . . . ?
P1 C10 C11 C12 171.3(12) . . . . ?
C10 C11 C12 C13 51(2) . . . . ?
C11 C12 C13 C14 -50(2) . . . . ?
C12 C13 C14 C15 52(2) . . . . ?
C11 C10 C15 C14 59.8(17) . . . . ?
P1 C10 C15 C14 -169.5(10) . . . . ?
C13 C14 C15 C10 -57.3(19) . . . . ?
C10 P1 C16 C17 50.5(12) . . . . ?
C8 P1 C16 C17 164.6(10) . . . . ?
Rh1 P1 C16 C17 -72.7(10) . . . . ?
C10 P1 C16 C21 171.0(11) . . . . ?
C8 P1 C16 C21 -74.9(12) . . . . ?
Rh1 P1 C16 C21 47.8(12) . . . . ?
C21 C16 C17 C18 53.0(17) . . . . ?
P1 C16 C17 C18 174.1(11) . . . . ?
C16 C17 C18 C19 -51(2) . . . . ?
C17 C18 C19 C20 50(2) . . . . ?
C5 C6 C1 C2 73.4(18) . . . . ?
C7 C6 C1 C2 -33.4(18) . . . . ?
C5 C6 C1 Rh1 1(2) . . . . ?
C7 C6 C1 Rh1 -105.8(17) . . . . ?
C3 C2 C1 C6 2(2) . . . . ?
Rh1 C2 C1 C6 -118.9(16) . . . . ?
C3 C2 C1 Rh1 120.8(14) . . . . ?
C8 C9 P2 C28 -149.5(10) . . . . ?
C8 C9 P2 C22 99.0(11) . . . . ?
C8 C9 P2 Rh1 -25.7(12) . . . . ?
C18 C19 C20 C21 -53(2) . . . . ?
C17 C16 C21 C20 -56.5(19) . . . . ?
P1 C16 C21 C20 -177.5(12) . . . . ?
C19 C20 C21 C16 57(2) . . . . ?
C28 P2 C22 C23 -167.3(13) . . . . ?
C9 P2 C22 C23 -53.6(14) . . . . ?
Rh1 P2 C22 C23 69.0(14) . . . . ?
C28 P2 C22 C27 72.9(11) . . . . ?
C9 P2 C22 C27 -173.5(10) . . . . ?
Rh1 P2 C22 C27 -50.9(11) . . . . ?
C27 C22 C23 C24 -65(2) . . . . ?
P2 C22 C23 C24 176.4(14) . . . . ?
C22 C23 C24 C25 63(2) . . . . ?
C23 C24 C25 C26 -57.8(18) . . . . ?
C24 C25 C26 C27 55(2) . . . . ?
C23 C22 C27 C26 58.2(17) . . . . ?
P2 C22 C27 C26 -179.1(10) . . . . ?
C25 C26 C27 C22 -56(2) . . . . ?
C9 P2 C28 C33 74.1(13) . . . . ?
C22 P2 C28 C33 -174.5(12) . . . . ?
Rh1 P2 C28 C33 -49.2(13) . . . . ?
C9 P2 C28 C29 -54.0(12) . . . . ?
C22 P2 C28 C29 57.4(12) . . . . ?
Rh1 P2 C28 C29 -177.3(9) . . . . ?
C33 C28 C29 C30 56.0(16) . . . . ?
P2 C28 C29 C30 -173.1(9) . . . . ?
C28 C29 C30 C31 -56.1(16) . . . . ?
C29 C30 C31 C32 54.7(18) . . . . ?
C30 C31 C32 C33 -53.5(17) . . . . ?
C29 C28 C33 C32 -56.3(17) . . . . ?
P2 C28 C33 C32 172.4(11) . . . . ?
C31 C32 C33 C28 55.6(18) . . . . ?
C40 B1 C34 C39 -85.5(13) . . . . ?
C46 B1 C34 C39 151.5(11) . . . . ?
C52 B1 C34 C39 35.3(15) . . . . ?
C40 B1 C34 C35 88.5(12) . . . . ?
C46 B1 C34 C35 -34.5(15) . . . . ?
C52 B1 C34 C35 -150.7(10) . . . . ?
C39 C34 C35 C36 -1.9(17) . . . . ?
B1 C34 C35 C36 -176.2(11) . . . . ?
C34 C35 C36 C37 0.0(18) . . . . ?
C34 C35 C36 S1 -179.8(9) . . . . ?
F3 S1 C36 C35 45.3(11) . . . . ?
F2 S1 C36 C35 135.7(10) . . . . ?
F1 S1 C36 C35 -137.7(10) . . . . ?
F4 S1 C36 C35 -46.1(11) . . . . ?
F3 S1 C36 C37 -134.5(11) . . . . ?
F2 S1 C36 C37 -44.2(12) . . . . ?
F1 S1 C36 C37 42.5(12) . . . . ?
F4 S1 C36 C37 134.1(12) . . . . ?
C35 C36 C37 C38 1(2) . . . . ?
S1 C36 C37 C38 -178.9(9) . . . . ?
C36 C37 C38 C39 -0.6(19) . . . . ?
C36 C37 C38 S2 174.8(10) . . . . ?
F8 S2 C38 C37 52.9(13) . . . . ?
F7 S2 C38 C37 -39.3(12) . . . . ?
F6 S2 C38 C37 -129.1(12) . . . . ?
F9 S2 C38 C37 140.5(12) . . . . ?
F8 S2 C38 C39 -131.7(12) . . . . ?
F7 S2 C38 C39 136.1(11) . . . . ?
F6 S2 C38 C39 46.4(12) . . . . ?
F9 S2 C38 C39 -44.1(12) . . . . ?
C35 C34 C39 C38 2.5(18) . . . . ?
B1 C34 C39 C38 177.0(11) . . . . ?
C37 C38 C39 C34 -1(2) . . . . ?
S2 C38 C39 C34 -176.8(10) . . . . ?
C34 B1 C40 C41 -87.5(14) . . . . ?
C46 B1 C40 C41 35.6(15) . . . . ?
C52 B1 C40 C41 149.2(12) . . . . ?
C34 B1 C40 C45 82.0(12) . . . . ?
C46 B1 C40 C45 -154.8(11) . . . . ?
C52 B1 C40 C45 -41.3(15) . . . . ?
C45 C40 C41 C42 2.3(18) . . . . ?
B1 C40 C41 C42 172.6(11) . . . . ?
C40 C41 C42 C43 0.9(19) . . . . ?
C40 C41 C42 S3 -179.7(10) . . . . ?
C41 C42 C43 C44 -2(2) . . . . ?
S3 C42 C43 C44 178.9(10) . . . . ?
C42 C43 C44 C45 -0.8(19) . . . . ?
C42 C43 C44 S4 -177.4(10) . . . . ?
F17 S4 C44 C45 -135.9(10) . . . . ?
F19 S4 C44 C45 46.0(11) . . . . ?
F16 S4 C44 C45 135.7(10) . . . . ?
F18 S4 C44 C45 -44.4(11) . . . . ?
F17 S4 C44 C43 40.7(12) . . . . ?
F19 S4 C44 C43 -137.4(11) . . . . ?
F16 S4 C44 C43 -47.7(12) . . . . ?
F18 S4 C44 C43 132.2(11) . . . . ?
C43 C44 C45 C40 4.4(19) . . . . ?
S4 C44 C45 C40 -179.0(10) . . . . ?
C41 C40 C45 C44 -5.0(18) . . . . ?
B1 C40 C45 C44 -175.3(11) . . . . ?
C34 B1 C46 C47 -36.1(15) . . . . ?
C40 B1 C46 C47 -155.3(10) . . . . ?
C52 B1 C46 C47 86.7(12) . . . . ?
C34 B1 C46 C51 153.8(10) . . . . ?
C40 B1 C46 C51 34.6(15) . . . . ?
C52 B1 C46 C51 -83.4(12) . . . . ?
C51 C46 C47 C48 -1.1(16) . . . . ?
B1 C46 C47 C48 -171.8(11) . . . . ?
C46 C47 C48 C49 1.6(18) . . . . ?
C46 C47 C48 S5 -179.8(9) . . . . ?
F22 S5 C48 C49 -45.5(12) . . . . ?
F24 S5 C48 C49 135.3(11) . . . . ?
F23 S5 C48 C49 44.2(12) . . . . ?
F21 S5 C48 C49 -135.0(11) . . . . ?
F22 S5 C48 C47 135.8(11) . . . . ?
F24 S5 C48 C47 -43.4(11) . . . . ?
F23 S5 C48 C47 -134.5(11) . . . . ?
F21 S5 C48 C47 46.3(11) . . . . ?
C47 C48 C49 C50 -0.6(18) . . . . ?
S5 C48 C49 C50 -179.3(10) . . . . ?
C48 C49 C50 C51 -1(2) . . . . ?
C48 C49 C50 S6 175.7(10) . . . . ?
F27 S6 C50 C51 -49.9(14) . . . . ?
F26 S6 C50 C51 -138.7(14) . . . . ?
F28 S6 C50 C51 39.8(15) . . . . ?
F29 S6 C50 C51 132.6(14) . . . . ?
F27 S6 C50 C49 133.8(12) . . . . ?
F26 S6 C50 C49 45.0(14) . . . . ?
F28 S6 C50 C49 -136.5(13) . . . . ?
F29 S6 C50 C49 -43.6(13) . . . . ?
C49 C50 C51 C46 1(2) . . . . ?
S6 C50 C51 C46 -175.1(10) . . . . ?
C47 C46 C51 C50 -0.2(17) . . . . ?
B1 C46 C51 C50 170.5(12) . . . . ?
C34 B1 C52 C53 -156.3(10) . . . . ?
C40 B1 C52 C53 -38.0(15) . . . . ?
C46 B1 C52 C53 81.8(12) . . . . ?
C34 B1 C52 C57 32.7(15) . . . . ?
C40 B1 C52 C57 151.0(11) . . . . ?
C46 B1 C52 C57 -89.2(12) . . . . ?
C57 C52 C53 C54 -1.0(17) . . . . ?
B1 C52 C53 C54 -172.2(10) . . . . ?
C52 C53 C54 C55 0.2(18) . . . . ?
C52 C53 C54 S7 179.7(9) . . . . ?
F33 S7 C54 C55 -43.9(11) . . . . ?
F34 S7 C54 C55 -133.3(11) . . . . ?
F32 S7 C54 C55 46.6(11) . . . . ?
F31 S7 C54 C55 137.5(11) . . . . ?
F33 S7 C54 C53 136.6(10) . . . . ?
F34 S7 C54 C53 47.2(11) . . . . ?
F32 S7 C54 C53 -132.9(10) . . . . ?
F31 S7 C54 C53 -42.1(11) . . . . ?
C53 C54 C55 C56 -1.6(17) . . . . ?
S7 C54 C55 C56 178.8(9) . . . . ?
C54 C55 C56 C57 4.3(19) . . . . ?
C54 C55 C56 S8 -175.4(10) . . . . ?
F36 S8 C56 C57 -42.8(13) . . . . ?
F38 S8 C56 C57 137.6(13) . . . . ?
F37 S8 C56 C57 45.3(14) . . . . ?
F39 S8 C56 C57 -135.0(13) . . . . ?
F36 S8 C56 C55 136.9(11) . . . . ?
F38 S8 C56 C55 -42.7(13) . . . . ?
F37 S8 C56 C55 -135.0(12) . . . . ?
F39 S8 C56 C55 44.7(13) . . . . ?
C55 C56 C57 C52 -5(2) . . . . ?
S8 C56 C57 C52 174.4(10) . . . . ?
C53 C52 C57 C56 3.6(18) . . . . ?
B1 C52 C57 C56 174.9(12) . . . . ?
C43 C42 S3 F11 139.5(12) . . . . ?
C41 C42 S3 F11 -39.8(12) . . . . ?
C43 C42 S3 F14 50.1(13) . . . . ?
C41 C42 S3 F14 -129.3(11) . . . . ?
C43 C42 S3 F13 -43.1(12) . . . . ?
C41 C42 S3 F13 137.5(11) . . . . ?
C43 C42 S3 F12 -133.4(12) . . . . ?
C41 C42 S3 F12 47.2(12) . . . . ?
C1 C2 C3 C4 -69.2(18) . . . . ?
Rh1 C2 C3 C4 6(2) . . . . ?
C1 C2 C3 C7 29.5(18) . . . . ?
Rh1 C2 C3 C7 104.9(15) . . . . ?
C5 C4 C3 C2 66(2) . . . . ?
C5 C4 C3 C7 -36(2) . . . . ?
C6 C7 C3 C2 -51.5(18) . . . . ?
C6 C7 C3 C4 53.9(17) . . . . ?

_refine_diff_density_max         0.254
_refine_diff_density_min         -0.231
_refine_diff_density_rms         0.049

####################################################################### 
# 
# 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_asw21048
_database_code_depnum_ccdc_archive 'CCDC 2126936'
loop_
_audit_author_name
_audit_author_address
'Laurence R. Doyle'
;University of York
United Kingdom
;
_audit_update_record             
;
2021-12-07 deposited with the CCDC.	2022-02-03 downloaded from the CCDC.
;
_audit_creation_date             2021-05-06
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C33 H56 P2 Rh, C24 H12 B F40 S8'
_chemical_formula_sum            'C57 H68 B F40 P2 Rh S8'
_chemical_formula_weight         1945.25
_chemical_melting_point          ?
_chemical_oxdiff_formula         C57H68BF40P2RhS8
_chemical_oxdiff_usercomment     LD33E
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   19.5793(9)
_cell_length_b                   18.3333(6)
_cell_length_c                   20.4528(7)
_cell_angle_alpha                90
_cell_angle_beta                 92.460(4)
_cell_angle_gamma                90
_cell_volume                     7334.8(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3029
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      70.8500
_cell_measurement_theta_min      6.8820
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    5.723
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.908
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_modifier   ?
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.762
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3912
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-5 9 -5 0.0177
6 -10 4 0.0220
12 -3 2 0.0295
-8 -7 -5 0.0295
3 -11 -4 0.0295
9 7 5 0.0246
2 11 5 0.0200
-3 -4 12 0.0295
-9 8 2 0.0214
1 7 -11 0.0259
9 -4 -9 0.0418
-8 2 10 0.0256
-12 5 -1 0.0183

_exptl_crystal_size_max          0.071
_exptl_crystal_size_mid          0.055
_exptl_crystal_size_min          0.041
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-5.0074 8.9984 -5.0068 -0.1363 -0.4988 0.7842
6.0069 -9.9991 4.0076 0.1515 0.4378 -0.9046
11.9992 -2.9986 1.9981 -0.5482 0.1415 -0.8195
-7.9970 -7.0048 -4.9891 0.9276 -0.2081 -0.0178
3.0023 -11.0043 -3.9895 0.5085 -0.1181 -0.8493
8.9967 7.0049 4.9887 -0.9846 0.2033 -0.0364
1.9967 11.0052 4.9874 -0.8094 0.1676 0.5842
-2.9874 -3.9938 12.0043 0.1985 0.9646 -0.0081
-9.0001 8.0021 1.9952 0.0331 0.0516 0.9819
0.9871 6.9949 -11.0067 -0.2684 -0.9335 0.3032
8.9924 -4.0055 -8.9987 -0.1423 -0.6348 -0.7818
-7.9908 2.0058 10.0003 0.1808 0.7380 0.6129
-11.9996 4.9996 -1.0002 0.4202 -0.1026 0.9460

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0554
_diffrn_reflns_av_unetI/netI     0.0880
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            13332
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.091
_diffrn_reflns_theta_min         3.896
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      110(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1450
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -44.00  -8.00   1.00   10.00    --    0.00 125.00 -39.00   36
  2  ω    -20.00  22.00   1.00   10.00    --    0.00 -77.00-120.00   42
  3  ω     -4.00  29.00   1.00   10.00    --    0.00 -77.00  90.00   33
  4  ω     39.00  71.00   1.00   40.00    --   54.00 -57.00-120.00   32
  5  ω     50.00 104.00   1.00   40.00    --   54.00-125.00 120.00   54
  6  ω      6.00  75.00   1.00   40.00    --   54.00 -38.00  90.00   69
  7  ω    -15.00  50.00   1.00   40.00    --   54.00 -57.00   0.00   65
  8  ω     55.00 121.00   1.00   40.00    --   54.00  59.00  86.00   66
  9  ω    111.00 171.00   1.00   60.00    --  108.00  77.00  30.00   60
 10  ω    126.00 172.00   1.00   60.00    --  108.00  77.00 -60.00   46
 11  ω     36.00  67.00   1.00   60.00    --  108.00 -91.00-150.00   31
 12  ω    132.00 174.00   1.00   60.00    --  108.00  50.00 -30.00   42
 13  ω     37.00 130.00   1.00   60.00    --  108.00 -38.00 -60.00   93
 14  ω    123.00 149.00   1.00   60.00    --  108.00 111.00  90.00   26
 15  ω    103.00 177.00   1.00   60.00    --  108.00  77.00   0.00   74
 16  ω     83.00 175.00   1.00   60.00    --  108.00  38.00 120.00   92
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0569449000
_diffrn_orient_matrix_UB_12      -0.0558643000
_diffrn_orient_matrix_UB_13      -0.0162198000
_diffrn_orient_matrix_UB_21      -0.0047400000
_diffrn_orient_matrix_UB_22      -0.0171952000
_diffrn_orient_matrix_UB_23      0.0734553000
_diffrn_orient_matrix_UB_31      -0.0542205000
_diffrn_orient_matrix_UB_32      0.0602528000
_diffrn_orient_matrix_UB_33      0.0058794000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4790
_reflns_number_total             6921
_reflns_odcompleteness_completeness 99.63
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.361
_refine_diff_density_min         -1.137
_refine_diff_density_rms         0.144
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     548
_refine_ls_number_reflns         6921
_refine_ls_number_restraints     402
_refine_ls_R_factor_all          0.1024
_refine_ls_R_factor_gt           0.0660
_refine_ls_restrained_S_all      1.001
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0807P)²+46.0846P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1627
_refine_ls_wR_factor_ref         0.1834
_refine_special_details          
'Within the anion, an SF5 group centred on S1 was modelled as being disordered over two orientations. The occupancies of the two orientations were allowed to freely refine, converging at a final ratio of 0.72(2):0.28(2). Chemically equivalent 1,2 C-S and S-F, distances within the anion were restrained to be approximately equal. Similarity thermal parameter restraints were applied to the two orientations of the disordered SF5 group to aid refinement.'
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 S2-F10 \\sim S3-F15 \\sim S4-F20 \\sim S1A-F5A \\sim S1-F5
 with sigma of 0.02
 S1-C20 \\sim S1A-C20 \\sim S2-C22 \\sim S4-C28 \\sim S3-C26
 with sigma of 0.02
 S2-F7 \\sim S2-F6 \\sim S2-F9 \\sim S2-F8 \\sim S3-F12 \\sim S3-F13 \\sim
S3-F14 \\sim S3-F11 \\sim S4-F18 ~
 S4-F17 \\sim S4-F16 \\sim S4-F19 \\sim S1-F3 \\sim S1-F4 \\sim S1-F1 \\sim
S1-F2 \\sim S1A-F3A \\sim S1A-F4A ~
 S1A-F1A \\sim S1A-F2A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
S1 \\sim S1A \\sim F1 \\sim F1A \\sim F2 \\sim F2A \\sim F3 \\sim F3A \\sim F4
\\sim F4A \\sim F5 \\sim F5A: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 2A
4. Others
 Sof(S1A)=Sof(F1A)=Sof(F2A)=Sof(F3A)=Sof(F4A)=Sof(F5A)=1-FVAR(1)
 Sof(S1)=Sof(F1)=Sof(F2)=Sof(F3)=Sof(F4)=Sof(F5)=FVAR(1)
 Fixed Sof: H4A(0.5) H4B(0.5)
5.a Ternary CH refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C6(H6), C12(H12)
5.b Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C5(H5A,H5B), C7(H7A,H7B), C8(H8A,H8B), C9(H9A,H9B), C10(H10A,
 H10B), C11(H11A,H11B), C13(H13A,H13B), C14(H14A,H14B), C15(H15A,H15B),
 C16(H16A,H16B), C17(H17A,H17B)
5.c Aromatic/amide H refined with riding coordinates:
 C19(H19), C21(H21), C23(H23), C25(H25), C27(H27), C29(H29)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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 0.500000 0.80955(3) 0.750000 0.02130(19) Uani 1 2 d S T P . .
P1 P 0.52037(9) 0.71767(8) 0.67759(7) 0.0209(3) Uani 1 1 d . . . . .
C1 C 0.4410(4) 0.9032(3) 0.7856(4) 0.0311(16) Uani 1 1 d . . . . .
H1 H 0.396699 0.897443 0.807664 0.037 Uiso 1 1 calc R U . . .
C2 C 0.5026(4) 0.9033(3) 0.8191(3) 0.0321(16) Uani 1 1 d . . . . .
H2 H 0.508024 0.897868 0.867670 0.039 Uiso 1 1 calc R U . . .
C3 C 0.5519(4) 0.9500(4) 0.7775(4) 0.0338(16) Uani 1 1 d . . . . .
H3 H 0.594840 0.968417 0.799965 0.041 Uiso 1 1 calc R U . . .
C4 C 0.500000 1.0074(5) 0.750000 0.037(3) Uani 1 2 d S T P . .
H4A H 0.481060 1.038314 0.784568 0.044 Uiso 0.5 1 calc R U P . .
H4B H 0.518939 1.038316 0.715433 0.044 Uiso 0.5 1 calc R U P . .
C5 C 0.4958(4) 0.6291(3) 0.7132(3) 0.0293(15) Uani 1 1 d . . . . .
H5A H 0.447460 0.618469 0.700292 0.035 Uiso 1 1 calc R U . . .
H5B H 0.524345 0.589944 0.695296 0.035 Uiso 1 1 calc R U . . .
C6 C 0.6093(3) 0.7040(3) 0.6521(3) 0.0249(14) Uani 1 1 d . . . . .
H6 H 0.612096 0.654062 0.632724 0.030 Uiso 1 1 calc R U . . .
C7 C 0.6590(4) 0.7069(4) 0.7119(3) 0.0326(16) Uani 1 1 d . . . . .
H7A H 0.648396 0.666597 0.742015 0.039 Uiso 1 1 calc R U . . .
H7B H 0.652651 0.753443 0.735328 0.039 Uiso 1 1 calc R U . . .
C8 C 0.7342(4) 0.7005(4) 0.6930(4) 0.0389(18) Uani 1 1 d . . . . .
H8A H 0.764525 0.707131 0.732519 0.047 Uiso 1 1 calc R U . . .
H8B H 0.742395 0.651123 0.675367 0.047 Uiso 1 1 calc R U . . .
C9 C 0.7516(4) 0.7566(4) 0.6426(3) 0.0331(16) Uani 1 1 d . . . . .
H9A H 0.799416 0.749476 0.629992 0.040 Uiso 1 1 calc R U . . .
H9B H 0.747834 0.805972 0.661610 0.040 Uiso 1 1 calc R U . . .
C10 C 0.7038(4) 0.7505(4) 0.5819(3) 0.0327(16) Uani 1 1 d . . . . .
H10A H 0.710373 0.702614 0.560714 0.039 Uiso 1 1 calc R U . . .
H10B H 0.715091 0.789066 0.550239 0.039 Uiso 1 1 calc R U . . .
C11 C 0.6288(3) 0.7585(4) 0.6002(3) 0.0277(14) Uani 1 1 d . . . . .
H11A H 0.621201 0.808520 0.616507 0.033 Uiso 1 1 calc R U . . .
H11B H 0.598738 0.751314 0.560514 0.033 Uiso 1 1 calc R U . . .
C12 C 0.4677(3) 0.7280(4) 0.6013(3) 0.0240(13) Uani 1 1 d . . . . .
H12 H 0.485396 0.772124 0.578738 0.029 Uiso 1 1 calc R U . . .
C13 C 0.3928(4) 0.7439(4) 0.6146(3) 0.0299(15) Uani 1 1 d . . . . .
H13A H 0.372531 0.701070 0.635961 0.036 Uiso 1 1 calc R U . . .
H13B H 0.390216 0.785953 0.644680 0.036 Uiso 1 1 calc R U . . .
C14 C 0.3522(4) 0.7608(4) 0.5509(4) 0.0373(18) Uani 1 1 d . . . . .
H14A H 0.303655 0.768660 0.560454 0.045 Uiso 1 1 calc R U . . .
H14B H 0.369810 0.806358 0.531825 0.045 Uiso 1 1 calc R U . . .
C15 C 0.3571(4) 0.7001(5) 0.5018(4) 0.0404(19) Uani 1 1 d . . . . .
H15A H 0.332512 0.714234 0.460485 0.048 Uiso 1 1 calc R U . . .
H15B H 0.335020 0.655752 0.518762 0.048 Uiso 1 1 calc R U . . .
C16 C 0.4317(4) 0.6834(5) 0.4885(4) 0.0402(19) Uani 1 1 d . . . . .
H16A H 0.452625 0.726248 0.467772 0.048 Uiso 1 1 calc R U . . .
H16B H 0.433765 0.641823 0.457695 0.048 Uiso 1 1 calc R U . . .
C17 C 0.4723(4) 0.6645(4) 0.5525(3) 0.0313(16) Uani 1 1 d . . . . .
H17A H 0.453496 0.619625 0.571753 0.038 Uiso 1 1 calc R U . . .
H17B H 0.520762 0.655324 0.543109 0.038 Uiso 1 1 calc R U . . .
S1 S 0.2854(4) 0.5721(5) 0.3175(3) 0.0398(14) Uani 0.72(2) 1 d D U P A 1
S1A S 0.3007(10) 0.5557(11) 0.3204(8) 0.046(3) Uani 0.28(2) 1 d D U P A 2
S2 S 0.37735(10) 0.56842(9) 0.06646(8) 0.0327(4) Uani 1 1 d D . . . .
S3 S 0.59154(9) 0.91101(9) 0.44883(8) 0.0297(4) Uani 1 1 d D . . . .
S4 S 0.31776(9) 0.90446(9) 0.37356(8) 0.0300(4) Uani 1 1 d D . . . .
F1 F 0.3427(7) 0.5676(7) 0.3741(5) 0.046(3) Uani 0.72(2) 1 d D U P A 1
F1A F 0.3656(14) 0.5490(18) 0.3677(13) 0.045(5) Uani 0.28(2) 1 d D U P A 2
F2 F 0.2697(6) 0.6532(6) 0.3383(5) 0.048(3) Uani 0.72(2) 1 d D U P A 1
F2A F 0.2823(16) 0.6315(14) 0.3520(12) 0.047(4) Uani 0.28(2) 1 d D U P A 2
F3 F 0.2228(6) 0.5765(8) 0.2655(6) 0.050(3) Uani 0.72(2) 1 d D U P A 1
F3A F 0.2322(15) 0.5540(17) 0.2756(16) 0.048(4) Uani 0.28(2) 1 d D U P A 2
F4 F 0.2954(7) 0.4887(6) 0.2994(7) 0.051(3) Uani 0.72(2) 1 d D U P A 1
F4A F 0.3206(16) 0.4775(14) 0.2945(18) 0.047(5) Uani 0.28(2) 1 d D U P A 2
F5 F 0.2331(7) 0.5455(8) 0.3692(4) 0.057(3) Uani 0.72(2) 1 d D U P A 1
F5A F 0.2581(15) 0.5176(16) 0.3742(10) 0.050(4) Uani 0.28(2) 1 d D U P A 2
F6 F 0.2967(2) 0.5722(2) 0.06425(19) 0.0385(10) Uani 1 1 d D . . . .
F7 F 0.3748(2) 0.4860(2) 0.0894(2) 0.0407(11) Uani 1 1 d D . . . .
F8 F 0.4578(2) 0.5626(2) 0.0626(2) 0.0440(11) Uani 1 1 d D . . . .
F9 F 0.3803(2) 0.6487(2) 0.03769(19) 0.0411(11) Uani 1 1 d D . . . .
F10 F 0.3723(3) 0.5396(3) -0.0065(2) 0.0544(14) Uani 1 1 d D . . . .
F11 F 0.6236(2) 0.8320(2) 0.45870(19) 0.0353(10) Uani 1 1 d D . . . .
F12 F 0.6366(2) 0.9237(2) 0.3878(2) 0.0373(10) Uani 1 1 d D . . . .
F13 F 0.5635(2) 0.9925(2) 0.4423(2) 0.0433(11) Uani 1 1 d D . . . .
F14 F 0.5503(2) 0.9010(2) 0.51374(18) 0.0431(11) Uani 1 1 d D . . . .
F15 F 0.6524(2) 0.9425(3) 0.4930(2) 0.0491(12) Uani 1 1 d D . . . .
F16 F 0.3072(2) 0.9136(2) 0.29650(19) 0.0381(10) Uani 1 1 d D . . . .
F17 F 0.2879(2) 0.8243(2) 0.3686(2) 0.0407(11) Uani 1 1 d D . . . .
F18 F 0.3219(2) 0.8987(3) 0.4505(2) 0.0445(11) Uani 1 1 d D . . . .
F19 F 0.3409(2) 0.98722(19) 0.3783(2) 0.0369(10) Uani 1 1 d D . . . .
F20 F 0.2411(2) 0.9317(3) 0.3792(2) 0.0480(12) Uani 1 1 d D . . . .
C18 C 0.4374(3) 0.6837(3) 0.2297(3) 0.0190(12) Uani 1 1 d . . . . .
C19 C 0.3932(3) 0.6545(3) 0.2757(3) 0.0234(13) Uani 1 1 d . . . . .
H19 H 0.396079 0.671425 0.319589 0.028 Uiso 1 1 calc R U . . .
C20 C 0.3457(3) 0.6016(3) 0.2577(3) 0.0277(15) Uani 1 1 d D . . . .
C21 C 0.3405(3) 0.5731(3) 0.1955(3) 0.0243(14) Uani 1 1 d . . . . .
H21 H 0.308765 0.535546 0.184213 0.029 Uiso 1 1 calc R U . . .
C22 C 0.3836(3) 0.6016(3) 0.1502(3) 0.0208(13) Uani 1 1 d D . . . .
C23 C 0.4313(3) 0.6553(3) 0.1665(3) 0.0221(13) Uani 1 1 d . . . . .
H23 H 0.460366 0.672981 0.134069 0.027 Uiso 1 1 calc R U . . .
C24 C 0.4829(3) 0.7944(3) 0.3103(3) 0.0187(12) Uani 1 1 d . . . . .
C25 C 0.5349(3) 0.8238(3) 0.3515(3) 0.0209(13) Uani 1 1 d . . . . .
H25 H 0.580643 0.807961 0.346924 0.025 Uiso 1 1 calc R U . . .
C26 C 0.5214(3) 0.8749(3) 0.3982(3) 0.0231(13) Uani 1 1 d D . . . .
C27 C 0.4552(4) 0.8996(3) 0.4077(3) 0.0265(14) Uani 1 1 d . . . . .
H27 H 0.445866 0.933797 0.441067 0.032 Uiso 1 1 calc R U . . .
C28 C 0.4040(3) 0.8723(3) 0.3664(3) 0.0237(13) Uani 1 1 d D . . . .
C29 C 0.4170(3) 0.8209(3) 0.3187(3) 0.0232(14) Uani 1 1 d . . . . .
H29 H 0.380253 0.803411 0.291167 0.028 Uiso 1 1 calc R U . . .
B1 B 0.500000 0.7390(5) 0.250000 0.0147(18) Uani 1 2 d S T P . .


_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 P1 2.2892(16) 2_656 ?
Rh1 P1 2.2892(16) . ?
Rh1 C1 2.211(7) . ?
Rh1 C1 2.211(7) 2_656 ?
Rh1 C2 2.224(6) 2_656 ?
Rh1 C2 2.224(6) . ?
P1 C5 1.852(7) . ?
P1 C6 1.855(7) . ?
P1 C12 1.843(6) . ?
C1 H1 1.0000 . ?
C1 C2 1.361(10) . ?
C1 C3 1.562(10) 2_656 ?
C2 H2 1.0000 . ?
C2 C3 1.566(10) . ?
C3 H3 1.0000 . ?
C3 C4 1.552(9) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C5 1.508(13) 2_656 ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6 1.0000 . ?
C6 C7 1.530(9) . ?
C6 C11 1.519(9) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C8 1.543(10) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.504(10) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C10 1.526(9) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.538(10) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12 1.0000 . ?
C12 C13 1.530(9) . ?
C12 C17 1.539(9) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.528(9) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.503(10) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.528(10) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.542(9) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
S1 F1 1.580(8) . ?
S1 F2 1.582(8) . ?
S1 F3 1.589(8) . ?
S1 F4 1.586(8) . ?
S1 F5 1.581(7) . ?
S1 C20 1.818(8) . ?
S1A F1A 1.570(13) . ?
S1A F2A 1.580(14) . ?
S1A F3A 1.592(14) . ?
S1A F4A 1.583(14) . ?
S1A F5A 1.574(13) . ?
S1A C20 1.795(12) . ?
S2 F6 1.579(4) . ?
S2 F7 1.584(4) . ?
S2 F8 1.585(4) . ?
S2 F9 1.588(4) . ?
S2 F10 1.583(4) . ?
S2 C22 1.816(6) . ?
S3 F11 1.588(4) . ?
S3 F12 1.577(4) . ?
S3 F13 1.594(4) . ?
S3 F14 1.594(4) . ?
S3 F15 1.574(4) . ?
S3 C26 1.809(6) . ?
S4 F16 1.590(4) . ?
S4 F17 1.583(4) . ?
S4 F18 1.576(4) . ?
S4 F19 1.585(4) . ?
S4 F20 1.591(4) . ?
S4 C28 1.799(6) . ?
C18 C19 1.411(9) . ?
C18 C23 1.393(9) . ?
C18 B1 1.630(7) . ?
C19 H19 0.9500 . ?
C19 C20 1.382(8) . ?
C20 C21 1.375(9) . ?
C21 H21 0.9500 . ?
C21 C22 1.383(9) . ?
C22 C23 1.388(8) . ?
C23 H23 0.9500 . ?
C24 C25 1.401(8) . ?
C24 C29 1.396(9) . ?
C24 B1 1.644(8) . ?
C25 H25 0.9500 . ?
C25 C26 1.372(8) . ?
C26 C27 1.395(9) . ?
C27 H27 0.9500 . ?
C27 C28 1.377(9) . ?
C28 C29 1.388(9) . ?
C29 H29 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
P1 Rh1 P1 85.25(8) . 2_656 ?
C1 Rh1 P1 104.50(19) 2_656 . ?
C1 Rh1 P1 104.50(19) . 2_656 ?
C1 Rh1 P1 153.2(2) 2_656 2_656 ?
C1 Rh1 P1 153.2(2) . . ?
C1 Rh1 C1 78.0(4) 2_656 . ?
C1 Rh1 C2 35.7(3) 2_656 2_656 ?
C1 Rh1 C2 67.1(3) 2_656 . ?
C1 Rh1 C2 35.7(3) . . ?
C1 Rh1 C2 67.1(3) . 2_656 ?
C2 Rh1 P1 99.07(18) . 2_656 ?
C2 Rh1 P1 168.4(2) 2_656 2_656 ?
C2 Rh1 P1 99.07(18) 2_656 . ?
C2 Rh1 P1 168.4(2) . . ?
C2 Rh1 C2 78.8(4) . 2_656 ?
C5 P1 Rh1 109.6(2) . . ?
C5 P1 C6 104.8(3) . . ?
C6 P1 Rh1 118.2(2) . . ?
C12 P1 Rh1 111.4(2) . . ?
C12 P1 C5 106.1(3) . . ?
C12 P1 C6 105.9(3) . . ?
Rh1 C1 H1 122.8 . . ?
C2 C1 Rh1 72.7(4) . . ?
C2 C1 H1 122.8 . . ?
C2 C1 C3 107.8(6) . 2_656 ?
C3 C1 Rh1 95.0(4) 2_656 . ?
C3 C1 H1 122.8 2_656 . ?
Rh1 C2 H2 123.5 . . ?
C1 C2 Rh1 71.6(4) . . ?
C1 C2 H2 123.5 . . ?
C1 C2 C3 106.3(6) . . ?
C3 C2 Rh1 94.3(4) . . ?
C3 C2 H2 123.5 . . ?
C1 C3 C2 103.2(5) 2_656 . ?
C1 C3 H3 117.5 2_656 . ?
C2 C3 H3 117.5 . . ?
C4 C3 C1 98.8(5) . 2_656 ?
C4 C3 C2 99.2(5) . . ?
C4 C3 H3 117.5 . . ?
C3 C4 C3 94.5(7) 2_656 . ?
C3 C4 H4A 112.8 . . ?
C3 C4 H4A 112.8 2_656 . ?
C3 C4 H4B 112.8 . . ?
C3 C4 H4B 112.8 2_656 . ?
H4A C4 H4B 110.3 . . ?
P1 C5 H5A 109.2 . . ?
P1 C5 H5B 109.2 . . ?
C5 C5 P1 111.9(3) 2_656 . ?
C5 C5 H5A 109.2 2_656 . ?
C5 C5 H5B 109.2 2_656 . ?
H5A C5 H5B 107.9 . . ?
P1 C6 H6 107.7 . . ?
C7 C6 P1 110.1(5) . . ?
C7 C6 H6 107.7 . . ?
C11 C6 P1 112.0(4) . . ?
C11 C6 H6 107.7 . . ?
C11 C6 C7 111.4(5) . . ?
C6 C7 H7A 109.1 . . ?
C6 C7 H7B 109.1 . . ?
C6 C7 C8 112.3(6) . . ?
H7A C7 H7B 107.9 . . ?
C8 C7 H7A 109.1 . . ?
C8 C7 H7B 109.1 . . ?
C7 C8 H8A 109.3 . . ?
C7 C8 H8B 109.3 . . ?
H8A C8 H8B 108.0 . . ?
C9 C8 C7 111.5(6) . . ?
C9 C8 H8A 109.3 . . ?
C9 C8 H8B 109.3 . . ?
C8 C9 H9A 109.4 . . ?
C8 C9 H9B 109.4 . . ?
C8 C9 C10 111.0(6) . . ?
H9A C9 H9B 108.0 . . ?
C10 C9 H9A 109.4 . . ?
C10 C9 H9B 109.4 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 C11 110.7(6) . . ?
H10A C10 H10B 108.1 . . ?
C11 C10 H10A 109.5 . . ?
C11 C10 H10B 109.5 . . ?
C6 C11 C10 112.3(6) . . ?
C6 C11 H11A 109.1 . . ?
C6 C11 H11B 109.1 . . ?
C10 C11 H11A 109.1 . . ?
C10 C11 H11B 109.1 . . ?
H11A C11 H11B 107.9 . . ?
P1 C12 H12 106.4 . . ?
C13 C12 P1 112.0(4) . . ?
C13 C12 H12 106.4 . . ?
C13 C12 C17 110.0(5) . . ?
C17 C12 P1 115.2(5) . . ?
C17 C12 H12 106.4 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 108.1 . . ?
C14 C13 C12 110.8(6) . . ?
C14 C13 H13A 109.5 . . ?
C14 C13 H13B 109.5 . . ?
C13 C14 H14A 109.2 . . ?
C13 C14 H14B 109.2 . . ?
H14A C14 H14B 107.9 . . ?
C15 C14 C13 111.9(6) . . ?
C15 C14 H14A 109.2 . . ?
C15 C14 H14B 109.2 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 C16 110.9(6) . . ?
H15A C15 H15B 108.1 . . ?
C16 C15 H15A 109.5 . . ?
C16 C15 H15B 109.5 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 C17 110.8(6) . . ?
H16A C16 H16B 108.1 . . ?
C17 C16 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
C12 C17 C16 109.8(6) . . ?
C12 C17 H17A 109.7 . . ?
C12 C17 H17B 109.7 . . ?
C16 C17 H17A 109.7 . . ?
C16 C17 H17B 109.7 . . ?
H17A C17 H17B 108.2 . . ?
F1 S1 F2 89.5(5) . . ?
F1 S1 F3 174.8(7) . . ?
F1 S1 F4 91.8(6) . . ?
F1 S1 F5 87.4(6) . . ?
F1 S1 C20 92.7(5) . . ?
F2 S1 F3 88.8(6) . . ?
F2 S1 F4 175.2(6) . . ?
F2 S1 C20 92.3(5) . . ?
F3 S1 C20 92.3(6) . . ?
F4 S1 F3 89.5(6) . . ?
F4 S1 C20 92.3(6) . . ?
F5 S1 F2 88.3(6) . . ?
F5 S1 F3 87.7(6) . . ?
F5 S1 F4 87.1(6) . . ?
F5 S1 C20 179.4(6) . . ?
F1A S1A F2A 90.5(15) . . ?
F1A S1A F3A 173.5(16) . . ?
F1A S1A F4A 86.0(17) . . ?
F1A S1A F5A 88.4(14) . . ?
F1A S1A C20 93.9(13) . . ?
F2A S1A F3A 93.0(17) . . ?
F2A S1A F4A 175.4(18) . . ?
F2A S1A C20 90.4(12) . . ?
F3A S1A C20 91.5(14) . . ?
F4A S1A F3A 90.2(17) . . ?
F4A S1A C20 92.9(14) . . ?
F5A S1A F2A 88.1(14) . . ?
F5A S1A F3A 86.2(15) . . ?
F5A S1A F4A 88.8(15) . . ?
F5A S1A C20 177.2(14) . . ?
F6 S2 F7 90.4(2) . . ?
F6 S2 F8 175.3(2) . . ?
F6 S2 F9 90.0(2) . . ?
F6 S2 F10 88.1(3) . . ?
F6 S2 C22 92.2(3) . . ?
F7 S2 F8 89.7(3) . . ?
F7 S2 F9 175.5(2) . . ?
F7 S2 C22 92.4(3) . . ?
F8 S2 F9 89.6(3) . . ?
F8 S2 C22 92.4(3) . . ?
F9 S2 C22 92.1(2) . . ?
F10 S2 F7 87.7(3) . . ?
F10 S2 F8 87.3(3) . . ?
F10 S2 F9 87.8(3) . . ?
F10 S2 C22 179.7(3) . . ?
F11 S3 F13 176.0(2) . . ?
F11 S3 F14 90.0(2) . . ?
F11 S3 C26 91.4(2) . . ?
F12 S3 F11 90.2(2) . . ?
F12 S3 F13 89.9(3) . . ?
F12 S3 F14 175.8(2) . . ?
F12 S3 C26 92.2(3) . . ?
F13 S3 C26 92.6(2) . . ?
F14 S3 F13 89.6(3) . . ?
F14 S3 C26 92.0(3) . . ?
F15 S3 F11 88.6(2) . . ?
F15 S3 F12 87.9(3) . . ?
F15 S3 F13 87.4(2) . . ?
F15 S3 F14 87.9(3) . . ?
F15 S3 C26 179.9(3) . . ?
F16 S4 F20 87.4(2) . . ?
F16 S4 C28 92.1(3) . . ?
F17 S4 F16 90.1(2) . . ?
F17 S4 F19 174.9(2) . . ?
F17 S4 F20 87.1(2) . . ?
F17 S4 C28 92.0(3) . . ?
F18 S4 F16 175.0(2) . . ?
F18 S4 F17 90.3(3) . . ?
F18 S4 F19 90.0(2) . . ?
F18 S4 F20 87.6(2) . . ?
F18 S4 C28 92.9(3) . . ?
F19 S4 F16 89.2(2) . . ?
F19 S4 F20 87.9(2) . . ?
F19 S4 C28 93.0(3) . . ?
F20 S4 C28 179.0(3) . . ?
C19 C18 B1 122.8(5) . . ?
C23 C18 C19 116.5(5) . . ?
C23 C18 B1 120.1(5) . . ?
C18 C19 H19 119.5 . . ?
C20 C19 C18 121.0(6) . . ?
C20 C19 H19 119.5 . . ?
C19 C20 S1 118.7(5) . . ?
C19 C20 S1A 119.0(8) . . ?
C21 C20 S1 119.0(5) . . ?
C21 C20 S1A 117.6(8) . . ?
C21 C20 C19 122.3(6) . . ?
C20 C21 H21 121.5 . . ?
C20 C21 C22 117.0(6) . . ?
C22 C21 H21 121.5 . . ?
C21 C22 S2 119.2(4) . . ?
C21 C22 C23 122.0(6) . . ?
C23 C22 S2 118.9(5) . . ?
C18 C23 H23 119.4 . . ?
C22 C23 C18 121.2(6) . . ?
C22 C23 H23 119.4 . . ?
C25 C24 B1 121.5(5) . . ?
C29 C24 C25 116.4(5) . . ?
C29 C24 B1 121.8(5) . . ?
C24 C25 H25 119.2 . . ?
C26 C25 C24 121.6(6) . . ?
C26 C25 H25 119.2 . . ?
C25 C26 S3 119.0(5) . . ?
C25 C26 C27 121.8(6) . . ?
C27 C26 S3 119.2(5) . . ?
C26 C27 H27 121.5 . . ?
C28 C27 C26 117.0(6) . . ?
C28 C27 H27 121.5 . . ?
C27 C28 S4 119.5(5) . . ?
C27 C28 C29 121.8(6) . . ?
C29 C28 S4 118.7(5) . . ?
C24 C29 H29 119.3 . . ?
C28 C29 C24 121.4(6) . . ?
C28 C29 H29 119.3 . . ?
C18 B1 C18 103.1(6) 2_655 . ?
C18 B1 C24 111.7(3) 2_655 . ?
C18 B1 C24 111.7(3) . 2_655 ?
C18 B1 C24 113.6(3) . . ?
C18 B1 C24 113.6(3) 2_655 2_655 ?
C24 B1 C24 103.6(6) . 2_655 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 P1 C5 C5 -30.1(7) . . . 2_656 ?
Rh1 P1 C6 C7 45.3(5) . . . . ?
Rh1 P1 C6 C11 -79.3(4) . . . . ?
Rh1 P1 C12 C13 -47.2(5) . . . . ?
Rh1 P1 C12 C17 -173.9(4) . . . . ?
Rh1 C1 C2 C3 89.2(4) . . . . ?
Rh1 C2 C3 C1 5.5(5) . . . 2_656 ?
Rh1 C2 C3 C4 106.8(4) . . . . ?
P1 C6 C7 C8 -176.5(5) . . . . ?
P1 C6 C11 C10 176.5(4) . . . . ?
P1 C12 C13 C14 173.5(5) . . . . ?
P1 C12 C17 C16 -174.5(5) . . . . ?
C1 C2 C3 C1 -66.6(6) . . . 2_656 ?
C1 C2 C3 C4 34.8(6) . . . . ?
C1 C3 C4 C3 52.2(4) 2_656 . . 2_656 ?
C2 C3 C4 C3 -52.8(4) . . . 2_656 ?
C3 C1 C2 Rh1 -89.7(5) 2_656 . . . ?
C3 C1 C2 C3 -0.5(7) 2_656 . . . ?
C5 P1 C6 C7 -77.0(5) . . . . ?
C5 P1 C6 C11 158.4(4) . . . . ?
C5 P1 C12 C13 72.0(5) . . . . ?
C5 P1 C12 C17 -54.7(6) . . . . ?
C6 P1 C5 C5 97.7(7) . . . 2_656 ?
C6 P1 C12 C13 -177.0(5) . . . . ?
C6 P1 C12 C17 56.3(6) . . . . ?
C6 C7 C8 C9 53.9(8) . . . . ?
C7 C6 C11 C10 52.6(7) . . . . ?
C7 C8 C9 C10 -56.4(9) . . . . ?
C8 C9 C10 C11 57.0(8) . . . . ?
C9 C10 C11 C6 -55.4(7) . . . . ?
C11 C6 C7 C8 -51.6(8) . . . . ?
C12 P1 C5 C5 -150.5(6) . . . 2_656 ?
C12 P1 C6 C7 171.0(4) . . . . ?
C12 P1 C6 C11 46.5(5) . . . . ?
C12 C13 C14 C15 56.4(8) . . . . ?
C13 C12 C17 C16 57.8(8) . . . . ?
C13 C14 C15 C16 -55.8(9) . . . . ?
C14 C15 C16 C17 56.6(9) . . . . ?
C15 C16 C17 C12 -57.6(8) . . . . ?
C17 C12 C13 C14 -57.1(8) . . . . ?
S1 C20 C21 C22 174.7(6) . . . . ?
S1A C20 C21 C22 -170.0(10) . . . . ?
S2 C22 C23 C18 178.8(5) . . . . ?
S3 C26 C27 C28 177.8(5) . . . . ?
S4 C28 C29 C24 179.3(5) . . . . ?
F1 S1 C20 C19 -44.0(7) . . . . ?
F1 S1 C20 C21 138.8(7) . . . . ?
F1A S1A C20 C19 -40.9(14) . . . . ?
F1A S1A C20 C21 127.2(13) . . . . ?
F2 S1 C20 C19 45.5(7) . . . . ?
F2 S1 C20 C21 -131.6(7) . . . . ?
F2A S1A C20 C19 49.7(14) . . . . ?
F2A S1A C20 C21 -142.2(12) . . . . ?
F3 S1 C20 C19 134.4(7) . . . . ?
F3 S1 C20 C21 -42.7(7) . . . . ?
F3A S1A C20 C19 142.7(14) . . . . ?
F3A S1A C20 C21 -49.2(15) . . . . ?
F4 S1 C20 C19 -135.9(7) . . . . ?
F4 S1 C20 C21 46.9(7) . . . . ?
F4A S1A C20 C19 -127.1(14) . . . . ?
F4A S1A C20 C21 41.0(15) . . . . ?
F6 S2 C22 C21 44.6(5) . . . . ?
F6 S2 C22 C23 -135.0(5) . . . . ?
F7 S2 C22 C21 -45.9(5) . . . . ?
F7 S2 C22 C23 134.6(5) . . . . ?
F8 S2 C22 C21 -135.7(5) . . . . ?
F8 S2 C22 C23 44.8(5) . . . . ?
F9 S2 C22 C21 134.7(5) . . . . ?
F9 S2 C22 C23 -44.9(5) . . . . ?
F11 S3 C26 C25 -43.7(5) . . . . ?
F11 S3 C26 C27 136.4(5) . . . . ?
F12 S3 C26 C25 46.6(5) . . . . ?
F12 S3 C26 C27 -133.3(5) . . . . ?
F13 S3 C26 C25 136.6(5) . . . . ?
F13 S3 C26 C27 -43.3(5) . . . . ?
F14 S3 C26 C25 -133.7(5) . . . . ?
F14 S3 C26 C27 46.3(5) . . . . ?
F16 S4 C28 C27 134.7(5) . . . . ?
F16 S4 C28 C29 -44.6(5) . . . . ?
F17 S4 C28 C27 -135.1(5) . . . . ?
F17 S4 C28 C29 45.5(5) . . . . ?
F18 S4 C28 C27 -44.7(6) . . . . ?
F18 S4 C28 C29 135.9(5) . . . . ?
F19 S4 C28 C27 45.4(5) . . . . ?
F19 S4 C28 C29 -133.9(5) . . . . ?
C18 C19 C20 S1 -174.8(6) . . . . ?
C18 C19 C20 S1A 169.8(10) . . . . ?
C18 C19 C20 C21 2.2(10) . . . . ?
C19 C18 C23 C22 0.6(9) . . . . ?
C19 C18 B1 C18 86.3(5) . . . 2_655 ?
C19 C18 B1 C24 -151.3(5) . . . 2_655 ?
C19 C18 B1 C24 -34.7(8) . . . . ?
C19 C20 C21 C22 -2.3(10) . . . . ?
C20 C21 C22 S2 -178.0(5) . . . . ?
C20 C21 C22 C23 1.6(9) . . . . ?
C21 C22 C23 C18 -0.8(9) . . . . ?
C23 C18 C19 C20 -1.3(9) . . . . ?
C23 C18 B1 C18 -84.8(5) . . . 2_655 ?
C23 C18 B1 C24 154.2(5) . . . . ?
C23 C18 B1 C24 37.5(7) . . . 2_655 ?
C24 C25 C26 S3 -179.2(4) . . . . ?
C24 C25 C26 C27 0.7(9) . . . . ?
C25 C24 C29 C28 -1.5(9) . . . . ?
C25 C24 B1 C18 37.9(7) . . . 2_655 ?
C25 C24 B1 C18 153.9(5) . . . . ?
C25 C24 B1 C24 -84.8(5) . . . 2_655 ?
C25 C26 C27 C28 -2.1(9) . . . . ?
C26 C27 C28 S4 -177.6(5) . . . . ?
C26 C27 C28 C29 1.8(9) . . . . ?
C27 C28 C29 C24 0.0(9) . . . . ?
C29 C24 C25 C26 1.1(8) . . . . ?
C29 C24 B1 C18 -33.2(7) . . . . ?
C29 C24 B1 C18 -149.3(5) . . . 2_655 ?
C29 C24 B1 C24 88.1(5) . . . 2_655 ?
B1 C18 C19 C20 -172.7(6) . . . . ?
B1 C18 C23 C22 172.3(5) . . . . ?
B1 C24 C25 C26 174.4(5) . . . . ?
B1 C24 C29 C28 -174.7(5) . . . . ?

_olex2_date_sample_data_collection 2021-04-12
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.289
_oxdiff_exptl_absorpt_empirical_full_min 0.694
####################################################################### 
# 
# 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_20133
_database_code_depnum_ccdc_archive 'CCDC 2126937'
loop_
_audit_author_name
_audit_author_address
'Laurence R. Doyle'
;University of York
United Kingdom
;
_audit_update_record             
;
2021-12-07 deposited with the CCDC.	2022-02-03 downloaded from the CCDC.
;
_audit_creation_date             2021-12-03
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.10.07 svn.r9718050b for OlexSys, GUI svn.r6410)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C33 H60 P2 Rh, C24 H12 B F40 S8'
_chemical_formula_sum            'C57 H72 B F40 P2 Rh S8'
_chemical_formula_weight         1949.28
_chemical_melting_point          ?
_chemical_oxdiff_formula         C57H72BF40P2RhS8
_chemical_oxdiff_usercomment     LD48H
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   19.4479(9)
_cell_length_b                   19.0194(10)
_cell_length_c                   20.1725(7)
_cell_angle_alpha                90
_cell_angle_beta                 91.572(4)
_cell_angle_gamma                90
_cell_volume                     7458.7(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3934
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      70.5910
_cell_measurement_theta_min      6.4750
_shelx_estimated_absorpt_T_max   0.571
_shelx_estimated_absorpt_T_min   0.528
_exptl_absorpt_coefficient_mu    5.628
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.743
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.736
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3928
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 1 -13 0.0610
-4 5 11 0.0660
-4 -2 12 0.0586
7 5 9 0.0592
10 7 1 0.0575
1 -3 12 0.0612
-6 10 -4 0.0513
-8 -5 10 0.0697
8 5 -9 0.0674
1 0 -13 0.0590
-10 -7 0 0.0623
1 -4 12 0.0643
-7 9 5 0.0609
-7 10 -4 0.0525
7 -10 0 0.0524

_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.123
_exptl_crystal_size_min          0.112
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-0.0035 1.0011 -12.9954 0.0502 0.1033 0.9901
-3.9968 5.0014 10.9976 0.0889 0.4669 -0.8549
-3.9948 -1.9993 11.9948 0.2804 -0.0665 -0.9315
6.9981 4.9965 8.9997 -0.7140 0.1670 -0.6545
9.9944 6.9960 1.0035 -0.9445 0.2528 -0.0321
1.0033 -3.0017 11.9952 -0.0618 -0.2806 -0.9097
-6.0009 10.0040 -3.9960 0.1865 0.9332 0.2789
-7.9929 -4.9976 9.9939 0.6735 -0.1794 -0.7968
7.9932 4.9976 -8.9942 -0.6795 0.1773 0.7207
0.9963 0.0006 -12.9956 0.0044 -0.0003 0.9944
-9.9941 -6.9961 -0.0038 0.9384 -0.2549 -0.0441
1.0035 -4.0018 11.9948 -0.0336 -0.3565 -0.9097
-6.9980 9.0036 5.0005 0.2345 0.8660 -0.4109
-7.0005 10.0044 -3.9962 0.2605 0.9608 0.2745
6.9995 -10.0041 -0.0025 -0.2364 -0.9524 0.0301

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0599
_diffrn_reflns_av_unetI/netI     0.0851
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.968
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            26754
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         70.928
_diffrn_reflns_theta_min         3.886
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      110(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1450
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -29.00  42.00   1.00   10.00    --    0.00  77.00 -90.00   71
  2  ω     44.00 126.00   1.00   20.00    --   54.00  38.00   0.00   82
  3  ω     27.00 108.00   1.00   20.00    --   54.00-125.00  90.00   81
  4  ω     46.00 100.00   1.00   20.00    --   54.00  57.00 -60.00   54
  5  ω     -9.00  73.00   1.00   20.00    --   54.00 -57.00 120.00   82
  6  ω     36.00 109.00   1.00   47.50    --  108.00-111.00-120.00   73
  7  ω     43.00 129.00   1.00   47.50    --  108.00 -38.00-120.00   86
  8  ω     38.00 109.00   1.00   47.50    --  108.00-111.00  60.00   71
  9  ω    105.00 174.00   1.00   47.50    --  108.00  77.00   0.00   69
 10  ω    116.00 178.00   1.00   47.50    --  108.00 111.00 -90.00   62
 11  ω     72.00 129.00   1.00   47.50    --  108.00 -63.00   0.00   57
 12  ω     46.00 119.00   1.00   47.50    --  108.00   0.00 -30.00   73
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0741325000
_diffrn_orient_matrix_UB_12      -0.0282353000
_diffrn_orient_matrix_UB_13      -0.0060204000
_diffrn_orient_matrix_UB_21      -0.0276156000
_diffrn_orient_matrix_UB_22      0.0758795000
_diffrn_orient_matrix_UB_23      -0.0020937000
_diffrn_orient_matrix_UB_31      0.0043861000
_diffrn_orient_matrix_UB_32      0.0000798000
_diffrn_orient_matrix_UB_33      -0.0761820000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8569
_reflns_number_total             13926
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.681
_refine_diff_density_min         -0.649
_refine_diff_density_rms         0.183
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     982
_refine_ls_number_reflns         13926
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1385
_refine_ls_R_factor_gt           0.0865
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0936P)²+61.3202P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2273
_refine_ls_wR_factor_ref         0.2587
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C10(H10), C16(H16), C22(H22), C28(H28), C3(H3), C6(H6)
2.b Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C9(H9A,H9B), C11(H11A,H11B), C12(H12A,H12B), C13(H13A,H13B),
 C14(H14A,H14B), C15(H15A,H15B), C17(H17A,H17B), C18(H18A,H18B), C19(H19A,H19B),
  C20(H20A,H20B), C21(H21A,H21B), C23(H23A,H23B), C24(H24A,H24B), C25(H25A,
 H25B), C26(H26A,H26B), C27(H27A,H27B), C29(H29A,H29B), C30(H30A,H30B),
 C31(H31A,H31B), C32(H32A,H32B), C33(H33A,H33B), C1(H1A,H1B), C2(H2A,H2B),
 C4(H4A,H4B), C5(H5A,H5B), C7(H7A,H7B)
2.c Aromatic/amide H refined with riding coordinates:
 C35(H35), C37(H37), C39(H39), C41(H41), C43(H43), C45(H45), C47(H47),
 C49(H49), C51(H51), C53(H53), C55(H55), C57(H57)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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 0.50696(4) 0.78956(4) 0.75364(3) 0.0326(2) Uani 1 1 d . . . . .
P1 P 0.48252(11) 0.70245(13) 0.81951(10) 0.0298(5) Uani 1 1 d . . . . .
P2 P 0.51622(11) 0.70873(13) 0.67672(10) 0.0291(5) Uani 1 1 d . . . . .
C8 C 0.4999(5) 0.6177(5) 0.7793(5) 0.036(2) Uani 1 1 d . . . . .
H8A H 0.548208 0.603949 0.789023 0.044 Uiso 1 1 calc R U . . .
H8B H 0.469747 0.581197 0.797945 0.044 Uiso 1 1 calc R U . . .
C9 C 0.4876(5) 0.6212(5) 0.7037(4) 0.036(2) Uani 1 1 d . . . . .
H9A H 0.438145 0.614551 0.692400 0.044 Uiso 1 1 calc R U . . .
H9B H 0.514085 0.583988 0.681587 0.044 Uiso 1 1 calc R U . . .
C10 C 0.5363(4) 0.7083(6) 0.8954(4) 0.035(2) Uani 1 1 d . . . . .
H10 H 0.522990 0.752950 0.917926 0.041 Uiso 1 1 calc R U . . .
C11 C 0.6136(5) 0.7155(6) 0.8800(5) 0.042(2) Uani 1 1 d . . . . .
H11A H 0.630529 0.670959 0.861013 0.051 Uiso 1 1 calc R U . . .
H11B H 0.619869 0.753309 0.847003 0.051 Uiso 1 1 calc R U . . .
C12 C 0.6547(5) 0.7328(7) 0.9439(5) 0.048(3) Uani 1 1 d . . . . .
H12A H 0.704234 0.735802 0.934182 0.058 Uiso 1 1 calc R U . . .
H12B H 0.639996 0.779136 0.960912 0.058 Uiso 1 1 calc R U . . .
C13 C 0.6439(5) 0.6776(7) 0.9958(5) 0.053(3) Uani 1 1 d . . . . .
H13A H 0.668642 0.691561 1.037303 0.064 Uiso 1 1 calc R U . . .
H13B H 0.663654 0.632590 0.980752 0.064 Uiso 1 1 calc R U . . .
C14 C 0.5677(5) 0.6671(7) 1.0098(5) 0.054(3) Uani 1 1 d . . . . .
H14A H 0.549072 0.710554 1.029501 0.064 Uiso 1 1 calc R U . . .
H14B H 0.562768 0.628552 1.042336 0.064 Uiso 1 1 calc R U . . .
C15 C 0.5266(5) 0.6492(7) 0.9461(5) 0.047(3) Uani 1 1 d . . . . .
H15A H 0.477196 0.644276 0.955893 0.056 Uiso 1 1 calc R U . . .
H15B H 0.542834 0.604052 0.927788 0.056 Uiso 1 1 calc R U . . .
C16 C 0.3922(4) 0.6986(5) 0.8477(4) 0.031(2) Uani 1 1 d . . . . .
H16 H 0.385814 0.652119 0.869971 0.037 Uiso 1 1 calc R U . . .
C17 C 0.3771(5) 0.7554(6) 0.8980(5) 0.041(2) Uani 1 1 d . . . . .
H17A H 0.386865 0.802092 0.878591 0.050 Uiso 1 1 calc R U . . .
H17B H 0.407644 0.749204 0.937637 0.050 Uiso 1 1 calc R U . . .
C18 C 0.3018(5) 0.7525(7) 0.9185(5) 0.047(3) Uani 1 1 d . . . . .
H18A H 0.293398 0.707589 0.941698 0.056 Uiso 1 1 calc R U . . .
H18B H 0.292852 0.791355 0.949714 0.056 Uiso 1 1 calc R U . . .
C19 C 0.2530(5) 0.7584(6) 0.8592(5) 0.045(3) Uani 1 1 d . . . . .
H19A H 0.204953 0.754951 0.873838 0.054 Uiso 1 1 calc R U . . .
H19B H 0.258867 0.804727 0.837639 0.054 Uiso 1 1 calc R U . . .
C20 C 0.2669(5) 0.7009(7) 0.8104(5) 0.053(3) Uani 1 1 d . . . . .
H20A H 0.236027 0.706705 0.770977 0.064 Uiso 1 1 calc R U . . .
H20B H 0.256629 0.654911 0.830857 0.064 Uiso 1 1 calc R U . . .
C21 C 0.3422(5) 0.7015(6) 0.7886(4) 0.039(2) Uani 1 1 d . . . . .
H21A H 0.350157 0.660640 0.759403 0.047 Uiso 1 1 calc R U . . .
H21B H 0.350695 0.744760 0.762803 0.047 Uiso 1 1 calc R U . . .
C22 C 0.6049(4) 0.6974(5) 0.6481(4) 0.034(2) Uani 1 1 d . . . . .
H22 H 0.602081 0.672177 0.604622 0.041 Uiso 1 1 calc R U . . .
C23 C 0.6523(5) 0.6545(6) 0.6947(5) 0.047(3) Uani 1 1 d . . . . .
H23A H 0.655542 0.677602 0.738669 0.057 Uiso 1 1 calc R U . . .
H23B H 0.632906 0.606928 0.700647 0.057 Uiso 1 1 calc R U . . .
C24 C 0.7241(5) 0.6488(6) 0.6660(6) 0.052(3) Uani 1 1 d . . . . .
H24A H 0.754664 0.622774 0.697500 0.062 Uiso 1 1 calc R U . . .
H24B H 0.721272 0.621704 0.624064 0.062 Uiso 1 1 calc R U . . .
C25 C 0.7551(5) 0.7209(6) 0.6526(6) 0.049(3) Uani 1 1 d . . . . .
H25A H 0.762227 0.746161 0.695169 0.059 Uiso 1 1 calc R U . . .
H25B H 0.800532 0.714895 0.632395 0.059 Uiso 1 1 calc R U . . .
C26 C 0.7090(5) 0.7646(7) 0.6066(7) 0.060(3) Uani 1 1 d . . . . .
H26A H 0.705890 0.742355 0.562282 0.072 Uiso 1 1 calc R U . . .
H26B H 0.728857 0.812194 0.601551 0.072 Uiso 1 1 calc R U . . .
C27 C 0.6363(5) 0.7705(6) 0.6354(6) 0.050(3) Uani 1 1 d . . . . .
H27A H 0.639058 0.797062 0.677619 0.060 Uiso 1 1 calc R U . . .
H27B H 0.605927 0.796824 0.604057 0.060 Uiso 1 1 calc R U . . .
C28 C 0.4662(4) 0.7294(5) 0.6002(4) 0.032(2) Uani 1 1 d . . . . .
H28 H 0.487817 0.772150 0.580731 0.039 Uiso 1 1 calc R U . . .
C29 C 0.4677(5) 0.6716(6) 0.5463(4) 0.044(3) Uani 1 1 d . . . . .
H29A H 0.515921 0.659324 0.536882 0.053 Uiso 1 1 calc R U . . .
H29B H 0.444342 0.628852 0.562186 0.053 Uiso 1 1 calc R U . . .
C30 C 0.4309(5) 0.6986(6) 0.4823(5) 0.044(3) Uani 1 1 d . . . . .
H30A H 0.456791 0.739048 0.464678 0.052 Uiso 1 1 calc R U . . .
H30B H 0.430718 0.660938 0.448402 0.052 Uiso 1 1 calc R U . . .
C31 C 0.3572(5) 0.7212(6) 0.4945(5) 0.043(2) Uani 1 1 d . . . . .
H31A H 0.329547 0.679574 0.506457 0.052 Uiso 1 1 calc R U . . .
H31B H 0.336697 0.741615 0.453324 0.052 Uiso 1 1 calc R U . . .
C32 C 0.3551(5) 0.7758(6) 0.5506(5) 0.044(3) Uani 1 1 d . . . . .
H32A H 0.377997 0.819469 0.536213 0.052 Uiso 1 1 calc R U . . .
H32B H 0.306656 0.787208 0.559783 0.052 Uiso 1 1 calc R U . . .
C33 C 0.3907(4) 0.7490(6) 0.6139(4) 0.038(2) Uani 1 1 d . . . . .
H33A H 0.366050 0.707176 0.630283 0.045 Uiso 1 1 calc R U . . .
H33B H 0.389491 0.785820 0.648518 0.045 Uiso 1 1 calc R U . . .
S1 S 0.62416(12) 0.43089(14) 0.92766(11) 0.0376(6) Uani 1 1 d . . . . .
S2 S 0.72706(13) 0.40115(16) 0.67778(12) 0.0462(7) Uani 1 1 d . . . . .
S3 S 0.30783(16) 0.45319(18) 0.82494(13) 0.0554(8) Uani 1 1 d . . . . .
S4 S 0.37825(13) 0.43139(13) 0.56403(11) 0.0377(5) Uani 1 1 d . . . . .
S5 S 0.58021(12) 0.09777(14) 0.95387(11) 0.0389(6) Uani 1 1 d . . . . .
S6 S 0.30525(12) 0.11489(14) 0.88271(12) 0.0393(6) Uani 1 1 d . . . . .
S7 S 0.67470(12) 0.08653(14) 0.63603(12) 0.0392(6) Uani 1 1 d . . . . .
S8 S 0.40790(13) 0.10559(14) 0.53913(11) 0.0393(6) Uani 1 1 d . . . . .
F1 F 0.6186(3) 0.3564(3) 0.9631(3) 0.0480(15) Uani 1 1 d . . . . .
F2 F 0.5433(3) 0.4390(3) 0.9289(3) 0.0449(14) Uani 1 1 d . . . . .
F3 F 0.6300(3) 0.5075(3) 0.8979(3) 0.0444(14) Uani 1 1 d . . . . .
F4 F 0.7053(3) 0.4253(3) 0.9324(3) 0.0465(15) Uani 1 1 d . . . . .
F5 F 0.6270(3) 0.4649(4) 0.9989(3) 0.0565(18) Uani 1 1 d . . . . .
F6 F 0.7880(3) 0.3934(4) 0.7311(3) 0.0581(18) Uani 1 1 d . . . . .
F7 F 0.7229(4) 0.4821(3) 0.6942(3) 0.0586(18) Uani 1 1 d . . . . .
F8 F 0.6704(3) 0.4118(4) 0.6209(3) 0.0617(19) Uani 1 1 d . . . . .
F9 F 0.7354(3) 0.3215(4) 0.6571(3) 0.0582(18) Uani 1 1 d . . . . .
F10 F 0.7833(4) 0.4201(4) 0.6252(3) 0.069(2) Uani 1 1 d . . . . .
F11 F 0.3716(4) 0.4531(5) 0.8738(3) 0.084(3) Uani 1 1 d . . . . .
F12 F 0.3285(4) 0.5294(4) 0.7982(4) 0.074(2) Uani 1 1 d . . . . .
F13 F 0.2404(3) 0.4561(5) 0.7797(3) 0.076(2) Uani 1 1 d . . . . .
F14 F 0.2831(4) 0.3802(5) 0.8535(4) 0.080(2) Uani 1 1 d . . . . .
F15 F 0.2662(5) 0.4908(5) 0.8803(3) 0.098(3) Uani 1 1 d . . . . .
F16 F 0.4593(3) 0.4308(3) 0.5568(3) 0.0430(14) Uani 1 1 d . . . . .
F17 F 0.3823(3) 0.5117(3) 0.5866(3) 0.0482(15) Uani 1 1 d . . . . .
F18 F 0.2973(3) 0.4342(3) 0.5654(3) 0.0468(14) Uani 1 1 d . . . . .
F19 F 0.3749(3) 0.3535(3) 0.5360(3) 0.0475(15) Uani 1 1 d . . . . .
F20 F 0.3720(3) 0.4580(4) 0.4898(3) 0.0556(17) Uani 1 1 d . . . . .
F21 F 0.6162(3) 0.1723(3) 0.9616(3) 0.0435(14) Uani 1 1 d . . . . .
F22 F 0.6257(3) 0.0818(3) 0.8917(3) 0.0445(14) Uani 1 1 d . . . . .
F23 F 0.5491(3) 0.0204(3) 0.9493(3) 0.0511(16) Uani 1 1 d . . . . .
F24 F 0.5392(3) 0.1110(3) 1.0200(3) 0.0489(15) Uani 1 1 d . . . . .
F25 F 0.6403(3) 0.0662(4) 0.9989(3) 0.0620(19) Uani 1 1 d . . . . .
F26 F 0.3097(3) 0.1276(4) 0.9602(3) 0.0564(17) Uani 1 1 d . . . . .
F27 F 0.3266(3) 0.0357(3) 0.8940(3) 0.0458(14) Uani 1 1 d . . . . .
F28 F 0.2952(3) 0.0994(3) 0.8058(3) 0.0439(14) Uani 1 1 d . . . . .
F29 F 0.2777(3) 0.1923(3) 0.8710(3) 0.0535(16) Uani 1 1 d . . . . .
F30 F 0.2279(3) 0.0913(4) 0.8906(3) 0.0556(17) Uani 1 1 d . . . . .
F31 F 0.6737(3) 0.0702(3) 0.7132(3) 0.0442(14) Uani 1 1 d . . . . .
F32 F 0.7105(3) 0.1597(3) 0.6500(3) 0.0526(16) Uani 1 1 d . . . . .
F33 F 0.6808(3) 0.0995(4) 0.5586(3) 0.0566(17) Uani 1 1 d . . . . .
F34 F 0.6453(3) 0.0103(3) 0.6227(3) 0.0509(16) Uani 1 1 d . . . . .
F35 F 0.7485(3) 0.0523(4) 0.6356(3) 0.0582(17) Uani 1 1 d . . . . .
F36 F 0.4283(3) 0.0252(3) 0.5467(3) 0.0453(14) Uani 1 1 d . . . . .
F37 F 0.4578(3) 0.1108(3) 0.4777(3) 0.0491(15) Uani 1 1 d . . . . .
F38 F 0.3835(3) 0.1843(3) 0.5271(3) 0.0515(16) Uani 1 1 d . . . . .
F39 F 0.3547(3) 0.0976(4) 0.5959(3) 0.0541(17) Uani 1 1 d . . . . .
F40 F 0.3488(3) 0.0823(4) 0.4882(3) 0.0633(19) Uani 1 1 d . . . . .
C34 C 0.5631(4) 0.3122(4) 0.7685(4) 0.0218(16) Uani 1 1 d . . . . .
C35 C 0.5691(4) 0.3429(4) 0.8310(4) 0.0250(17) Uani 1 1 d . . . . .
H35 H 0.537461 0.330534 0.864047 0.030 Uiso 1 1 calc R U . . .
C36 C 0.6196(4) 0.3905(5) 0.8455(4) 0.0280(18) Uani 1 1 d . . . . .
C37 C 0.6682(4) 0.4092(5) 0.8003(4) 0.0287(18) Uani 1 1 d . . . . .
H37 H 0.703883 0.441462 0.811591 0.034 Uiso 1 1 calc R U . . .
C38 C 0.6632(4) 0.3800(5) 0.7392(4) 0.0286(19) Uani 1 1 d . . . . .
C39 C 0.6114(4) 0.3319(5) 0.7220(4) 0.0274(18) Uani 1 1 d . . . . .
H39 H 0.609052 0.312564 0.678578 0.033 Uiso 1 1 calc R U . . .
C40 C 0.4361(4) 0.3193(5) 0.7288(4) 0.0273(18) Uani 1 1 d . . . . .
C41 C 0.3974(4) 0.3519(5) 0.7776(4) 0.031(2) Uani 1 1 d . . . . .
H41 H 0.400333 0.335902 0.822176 0.038 Uiso 1 1 calc R U . . .
C42 C 0.3544(5) 0.4085(5) 0.7600(5) 0.036(2) Uani 1 1 d . . . . .
C43 C 0.3464(4) 0.4335(5) 0.6963(4) 0.033(2) Uani 1 1 d . . . . .
H43 H 0.315805 0.470944 0.685376 0.039 Uiso 1 1 calc R U . . .
C44 C 0.3857(4) 0.4009(5) 0.6487(4) 0.0295(19) Uani 1 1 d . . . . .
C45 C 0.4297(4) 0.3452(4) 0.6645(4) 0.0236(17) Uani 1 1 d . . . . .
H45 H 0.455981 0.324475 0.630610 0.028 Uiso 1 1 calc R U . . .
C46 C 0.4760(4) 0.2116(4) 0.8122(4) 0.0237(16) Uani 1 1 d . . . . .
C47 C 0.5279(4) 0.1822(5) 0.8533(4) 0.0251(17) Uani 1 1 d . . . . .
H47 H 0.574685 0.194679 0.847375 0.030 Uiso 1 1 calc R U . . .
C48 C 0.5108(4) 0.1351(5) 0.9024(4) 0.0278(18) Uani 1 1 d . . . . .
C49 C 0.4438(5) 0.1137(5) 0.9133(4) 0.033(2) Uani 1 1 d . . . . .
H49 H 0.433277 0.081466 0.947546 0.039 Uiso 1 1 calc R U . . .
C50 C 0.3935(4) 0.1416(5) 0.8722(4) 0.0292(19) Uani 1 1 d . . . . .
C51 C 0.4084(4) 0.1895(5) 0.8220(4) 0.0284(18) Uani 1 1 d . . . . .
H51 H 0.372213 0.207230 0.794225 0.034 Uiso 1 1 calc R U . . .
C52 C 0.5120(4) 0.2061(4) 0.6896(4) 0.0239(17) Uani 1 1 d . . . . .
C53 C 0.5766(4) 0.1751(4) 0.6853(4) 0.0244(17) Uani 1 1 d . . . . .
H53 H 0.612099 0.188252 0.716092 0.029 Uiso 1 1 calc R U . . .
C54 C 0.5903(4) 0.1259(5) 0.6375(4) 0.031(2) Uani 1 1 d . . . . .
C55 C 0.5409(5) 0.1046(5) 0.5905(4) 0.0308(19) Uani 1 1 d . . . . .
H55 H 0.551387 0.072514 0.556129 0.037 Uiso 1 1 calc R U . . .
C56 C 0.4760(4) 0.1322(5) 0.5964(4) 0.0282(19) Uani 1 1 d . . . . .
C57 C 0.4612(4) 0.1826(4) 0.6449(4) 0.0241(17) Uani 1 1 d . . . . .
H57 H 0.415895 0.200934 0.647283 0.029 Uiso 1 1 calc R U . . .
B1 B 0.4967(4) 0.2621(5) 0.7497(4) 0.0231(18) Uani 1 1 d . . . . .
C1 C 0.5234(6) 0.9034(6) 0.8039(5) 0.046(3) Uani 1 1 d . . . . .
H1A H 0.505207 0.856401 0.815266 0.055 Uiso 1 1 calc R U . . .
H1B H 0.565006 0.913050 0.831797 0.055 Uiso 1 1 calc R U . . .
C2 C 0.5395(6) 0.9086(6) 0.7269(5) 0.047(3) Uani 1 1 d . . . . .
H2A H 0.588723 0.919152 0.720241 0.056 Uiso 1 1 calc R U . . .
H2B H 0.527433 0.864310 0.703490 0.056 Uiso 1 1 calc R U . . .
C3 C 0.4944(6) 0.9683(6) 0.7031(5) 0.048(3) Uani 1 1 d . . . . .
H3 H 0.509814 0.990679 0.661174 0.058 Uiso 1 1 calc R U . . .
C4 C 0.4202(6) 0.9464(7) 0.7011(6) 0.054(3) Uani 1 1 d . . . . .
H4A H 0.413970 0.901332 0.677180 0.065 Uiso 1 1 calc R U . . .
H4B H 0.391027 0.982717 0.679292 0.065 Uiso 1 1 calc R U . . .
C5 C 0.4028(6) 0.9385(6) 0.7746(6) 0.053(3) Uani 1 1 d . . . . .
H5A H 0.390148 0.889332 0.784921 0.064 Uiso 1 1 calc R U . . .
H5B H 0.364253 0.969795 0.786220 0.064 Uiso 1 1 calc R U . . .
C6 C 0.4695(6) 0.9599(6) 0.8122(5) 0.051(3) Uani 1 1 d . . . . .
H6 H 0.463368 0.976152 0.858816 0.061 Uiso 1 1 calc R U . . .
C7 C 0.4973(6) 1.0174(6) 0.7635(6) 0.054(3) Uani 1 1 d . . . . .
H7A H 0.466193 1.058415 0.758532 0.065 Uiso 1 1 calc R U . . .
H7B H 0.544581 1.033152 0.775429 0.065 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 P1 2.184(2) . ?
Rh1 P2 2.195(2) . ?
Rh1 C1 2.408(10) . ?
Rh1 C2 2.416(11) . ?
P1 C8 1.840(10) . ?
P1 C10 1.834(9) . ?
P1 C16 1.863(8) . ?
P2 C9 1.842(10) . ?
P2 C22 1.847(9) . ?
P2 C28 1.844(9) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.538(13) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10 1.0000 . ?
C10 C11 1.549(12) . ?
C10 C15 1.535(13) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.534(13) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C13 1.501(15) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.529(13) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.534(14) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16 1.0000 . ?
C16 C17 1.517(13) . ?
C16 C21 1.518(12) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.534(13) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C19 1.511(14) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.500(15) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.540(13) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22 1.0000 . ?
C22 C23 1.533(14) . ?
C22 C27 1.541(14) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.530(14) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C25 1.525(16) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.521(15) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C27 1.547(13) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28 1.0000 . ?
C28 C29 1.547(13) . ?
C28 C33 1.548(12) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 C30 1.546(13) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 C31 1.524(13) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C31 C32 1.538(14) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 C33 1.522(13) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
S1 F1 1.591(7) . ?
S1 F2 1.581(6) . ?
S1 F3 1.581(6) . ?
S1 F4 1.582(6) . ?
S1 F5 1.576(6) . ?
S1 C36 1.826(8) . ?
S2 F6 1.585(7) . ?
S2 F7 1.577(7) . ?
S2 F8 1.583(7) . ?
S2 F9 1.581(7) . ?
S2 F10 1.585(6) . ?
S2 C38 1.824(8) . ?
S3 F11 1.562(8) . ?
S3 F12 1.601(8) . ?
S3 F13 1.578(7) . ?
S3 F14 1.582(9) . ?
S3 F15 1.569(7) . ?
S3 C42 1.823(9) . ?
S4 F16 1.588(6) . ?
S4 F17 1.595(7) . ?
S4 F18 1.575(6) . ?
S4 F19 1.587(7) . ?
S4 F20 1.582(6) . ?
S4 C44 1.807(9) . ?
S5 F21 1.588(6) . ?
S5 F22 1.584(6) . ?
S5 F23 1.593(6) . ?
S5 F24 1.593(6) . ?
S5 F25 1.579(6) . ?
S5 C48 1.824(9) . ?
S6 F26 1.582(6) . ?
S6 F27 1.578(7) . ?
S6 F28 1.586(6) . ?
S6 F29 1.582(7) . ?
S6 F30 1.581(6) . ?
S6 C50 1.809(9) . ?
S7 F31 1.588(6) . ?
S7 F32 1.578(7) . ?
S7 F33 1.588(6) . ?
S7 F34 1.578(7) . ?
S7 F35 1.576(6) . ?
S7 C54 1.806(8) . ?
S8 F36 1.586(6) . ?
S8 F37 1.598(6) . ?
S8 F38 1.587(7) . ?
S8 F39 1.572(7) . ?
S8 F40 1.584(6) . ?
S8 C56 1.806(9) . ?
C34 C35 1.391(11) . ?
C34 C39 1.397(11) . ?
C34 B1 1.642(12) . ?
C35 H35 0.9500 . ?
C35 C36 1.361(12) . ?
C36 C37 1.377(12) . ?
C37 H37 0.9500 . ?
C37 C38 1.352(12) . ?
C38 C39 1.397(12) . ?
C39 H39 0.9500 . ?
C40 C41 1.399(11) . ?
C40 C45 1.389(12) . ?
C40 B1 1.651(12) . ?
C41 H41 0.9500 . ?
C41 C42 1.402(13) . ?
C42 C43 1.377(13) . ?
C43 H43 0.9500 . ?
C43 C44 1.389(12) . ?
C44 C45 1.393(12) . ?
C45 H45 0.9500 . ?
C46 C47 1.405(11) . ?
C46 C51 1.398(11) . ?
C46 B1 1.645(12) . ?
C47 H47 0.9500 . ?
C47 C48 1.384(12) . ?
C48 C49 1.388(12) . ?
C49 H49 0.9500 . ?
C49 C50 1.370(13) . ?
C50 C51 1.398(12) . ?
C51 H51 0.9500 . ?
C52 C53 1.393(11) . ?
C52 C57 1.392(11) . ?
C52 B1 1.647(12) . ?
C53 H53 0.9500 . ?
C53 C54 1.374(12) . ?
C54 C55 1.392(13) . ?
C55 H55 0.9500 . ?
C55 C56 1.375(12) . ?
C56 C57 1.405(11) . ?
C57 H57 0.9500 . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C2 1.597(14) . ?
C1 C6 1.515(15) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.505(15) . ?
C3 H3 1.0000 . ?
C3 C4 1.501(15) . ?
C3 C7 1.536(16) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C5 1.538(15) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C6 1.540(15) . ?
C6 H6 1.0000 . ?
C6 C7 1.576(15) . ?
C7 H7A 0.9900 . ?
C7 H7B 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
P1 Rh1 P2 85.54(9) . . ?
P1 Rh1 C1 117.0(3) . . ?
P1 Rh1 C2 155.4(3) . . ?
P2 Rh1 C1 156.2(3) . . ?
P2 Rh1 C2 118.1(3) . . ?
C1 Rh1 C2 38.7(3) . . ?
C8 P1 Rh1 110.5(3) . . ?
C8 P1 C16 106.6(4) . . ?
C10 P1 Rh1 109.5(3) . . ?
C10 P1 C8 108.3(5) . . ?
C10 P1 C16 105.6(4) . . ?
C16 P1 Rh1 116.0(3) . . ?
C9 P2 Rh1 113.1(3) . . ?
C9 P2 C22 106.3(4) . . ?
C9 P2 C28 106.5(4) . . ?
C22 P2 Rh1 113.5(3) . . ?
C28 P2 Rh1 113.0(3) . . ?
C28 P2 C22 103.8(4) . . ?
P1 C8 H8A 109.2 . . ?
P1 C8 H8B 109.2 . . ?
H8A C8 H8B 107.9 . . ?
C9 C8 P1 111.9(7) . . ?
C9 C8 H8A 109.2 . . ?
C9 C8 H8B 109.2 . . ?
P2 C9 H9A 110.3 . . ?
P2 C9 H9B 110.3 . . ?
C8 C9 P2 107.0(7) . . ?
C8 C9 H9A 110.3 . . ?
C8 C9 H9B 110.3 . . ?
H9A C9 H9B 108.6 . . ?
P1 C10 H10 106.3 . . ?
C11 C10 P1 111.8(6) . . ?
C11 C10 H10 106.3 . . ?
C15 C10 P1 115.7(7) . . ?
C15 C10 H10 106.3 . . ?
C15 C10 C11 109.7(8) . . ?
C10 C11 H11A 109.7 . . ?
C10 C11 H11B 109.7 . . ?
H11A C11 H11B 108.2 . . ?
C12 C11 C10 109.7(8) . . ?
C12 C11 H11A 109.7 . . ?
C12 C11 H11B 109.7 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 108.1 . . ?
C13 C12 C11 110.9(9) . . ?
C13 C12 H12A 109.5 . . ?
C13 C12 H12B 109.5 . . ?
C12 C13 H13A 109.2 . . ?
C12 C13 H13B 109.2 . . ?
C12 C13 C14 112.0(9) . . ?
H13A C13 H13B 107.9 . . ?
C14 C13 H13A 109.2 . . ?
C14 C13 H13B 109.2 . . ?
C13 C14 H14A 109.4 . . ?
C13 C14 H14B 109.4 . . ?
C13 C14 C15 111.1(8) . . ?
H14A C14 H14B 108.0 . . ?
C15 C14 H14A 109.4 . . ?
C15 C14 H14B 109.4 . . ?
C10 C15 H15A 109.9 . . ?
C10 C15 H15B 109.9 . . ?
C14 C15 C10 108.9(9) . . ?
C14 C15 H15A 109.9 . . ?
C14 C15 H15B 109.9 . . ?
H15A C15 H15B 108.3 . . ?
P1 C16 H16 107.5 . . ?
C17 C16 P1 112.1(6) . . ?
C17 C16 H16 107.5 . . ?
C17 C16 C21 111.6(8) . . ?
C21 C16 P1 110.4(6) . . ?
C21 C16 H16 107.5 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 C18 110.9(8) . . ?
H17A C17 H17B 108.0 . . ?
C18 C17 H17A 109.5 . . ?
C18 C17 H17B 109.5 . . ?
C17 C18 H18A 109.3 . . ?
C17 C18 H18B 109.3 . . ?
H18A C18 H18B 108.0 . . ?
C19 C18 C17 111.6(8) . . ?
C19 C18 H18A 109.3 . . ?
C19 C18 H18B 109.3 . . ?
C18 C19 H19A 109.6 . . ?
C18 C19 H19B 109.6 . . ?
H19A C19 H19B 108.2 . . ?
C20 C19 C18 110.1(9) . . ?
C20 C19 H19A 109.6 . . ?
C20 C19 H19B 109.6 . . ?
C19 C20 H20A 109.2 . . ?
C19 C20 H20B 109.2 . . ?
C19 C20 C21 111.8(9) . . ?
H20A C20 H20B 107.9 . . ?
C21 C20 H20A 109.2 . . ?
C21 C20 H20B 109.2 . . ?
C16 C21 C20 111.6(8) . . ?
C16 C21 H21A 109.3 . . ?
C16 C21 H21B 109.3 . . ?
C20 C21 H21A 109.3 . . ?
C20 C21 H21B 109.3 . . ?
H21A C21 H21B 108.0 . . ?
P2 C22 H22 107.5 . . ?
C23 C22 P2 114.9(6) . . ?
C23 C22 H22 107.5 . . ?
C23 C22 C27 110.3(8) . . ?
C27 C22 P2 108.9(7) . . ?
C27 C22 H22 107.5 . . ?
C22 C23 H23A 109.6 . . ?
C22 C23 H23B 109.6 . . ?
H23A C23 H23B 108.1 . . ?
C24 C23 C22 110.2(8) . . ?
C24 C23 H23A 109.6 . . ?
C24 C23 H23B 109.6 . . ?
C23 C24 H24A 109.3 . . ?
C23 C24 H24B 109.3 . . ?
H24A C24 H24B 107.9 . . ?
C25 C24 C23 111.8(9) . . ?
C25 C24 H24A 109.3 . . ?
C25 C24 H24B 109.3 . . ?
C24 C25 H25A 109.3 . . ?
C24 C25 H25B 109.3 . . ?
H25A C25 H25B 107.9 . . ?
C26 C25 C24 111.8(9) . . ?
C26 C25 H25A 109.3 . . ?
C26 C25 H25B 109.3 . . ?
C25 C26 H26A 109.7 . . ?
C25 C26 H26B 109.7 . . ?
C25 C26 C27 109.8(9) . . ?
H26A C26 H26B 108.2 . . ?
C27 C26 H26A 109.7 . . ?
C27 C26 H26B 109.7 . . ?
C22 C27 C26 111.6(9) . . ?
C22 C27 H27A 109.3 . . ?
C22 C27 H27B 109.3 . . ?
C26 C27 H27A 109.3 . . ?
C26 C27 H27B 109.3 . . ?
H27A C27 H27B 108.0 . . ?
P2 C28 H28 106.6 . . ?
C29 C28 P2 114.7(7) . . ?
C29 C28 H28 106.6 . . ?
C29 C28 C33 109.4(8) . . ?
C33 C28 P2 112.5(6) . . ?
C33 C28 H28 106.6 . . ?
C28 C29 H29A 109.8 . . ?
C28 C29 H29B 109.8 . . ?
H29A C29 H29B 108.2 . . ?
C30 C29 C28 109.6(9) . . ?
C30 C29 H29A 109.8 . . ?
C30 C29 H29B 109.8 . . ?
C29 C30 H30A 109.2 . . ?
C29 C30 H30B 109.2 . . ?
H30A C30 H30B 107.9 . . ?
C31 C30 C29 112.0(8) . . ?
C31 C30 H30A 109.2 . . ?
C31 C30 H30B 109.2 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 C32 110.6(8) . . ?
H31A C31 H31B 108.1 . . ?
C32 C31 H31A 109.5 . . ?
C32 C31 H31B 109.5 . . ?
C31 C32 H32A 109.3 . . ?
C31 C32 H32B 109.3 . . ?
H32A C32 H32B 107.9 . . ?
C33 C32 C31 111.8(9) . . ?
C33 C32 H32A 109.3 . . ?
C33 C32 H32B 109.3 . . ?
C28 C33 H33A 109.7 . . ?
C28 C33 H33B 109.7 . . ?
C32 C33 C28 110.0(7) . . ?
C32 C33 H33A 109.7 . . ?
C32 C33 H33B 109.7 . . ?
H33A C33 H33B 108.2 . . ?
F1 S1 C36 91.8(4) . . ?
F2 S1 F1 90.0(3) . . ?
F2 S1 F3 89.8(3) . . ?
F2 S1 F4 175.3(3) . . ?
F2 S1 C36 91.9(4) . . ?
F3 S1 F1 175.6(3) . . ?
F3 S1 F4 90.2(3) . . ?
F3 S1 C36 92.6(4) . . ?
F4 S1 F1 89.6(4) . . ?
F4 S1 C36 92.8(4) . . ?
F5 S1 F1 87.5(3) . . ?
F5 S1 F2 87.4(3) . . ?
F5 S1 F3 88.1(4) . . ?
F5 S1 F4 87.9(3) . . ?
F5 S1 C36 179.0(4) . . ?
F6 S2 C38 91.7(4) . . ?
F7 S2 F6 89.4(4) . . ?
F7 S2 F8 89.4(4) . . ?
F7 S2 F9 175.5(3) . . ?
F7 S2 F10 87.7(4) . . ?
F7 S2 C38 91.9(4) . . ?
F8 S2 F6 175.5(3) . . ?
F8 S2 F10 88.0(4) . . ?
F8 S2 C38 92.7(4) . . ?
F9 S2 F6 90.6(4) . . ?
F9 S2 F8 90.3(4) . . ?
F9 S2 F10 87.9(4) . . ?
F9 S2 C38 92.6(4) . . ?
F10 S2 F6 87.6(4) . . ?
F10 S2 C38 179.2(4) . . ?
F11 S3 F12 90.7(5) . . ?
F11 S3 F13 175.8(4) . . ?
F11 S3 F14 90.7(5) . . ?
F11 S3 F15 88.1(4) . . ?
F11 S3 C42 92.9(4) . . ?
F12 S3 C42 92.7(4) . . ?
F13 S3 F12 89.2(5) . . ?
F13 S3 F14 89.2(5) . . ?
F13 S3 C42 91.3(4) . . ?
F14 S3 F12 176.2(4) . . ?
F14 S3 C42 90.8(4) . . ?
F15 S3 F12 88.1(5) . . ?
F15 S3 F13 87.6(4) . . ?
F15 S3 F14 88.5(5) . . ?
F15 S3 C42 178.7(6) . . ?
F16 S4 F17 89.5(3) . . ?
F16 S4 C44 91.7(4) . . ?
F17 S4 C44 92.0(4) . . ?
F18 S4 F16 175.5(3) . . ?
F18 S4 F17 90.3(3) . . ?
F18 S4 F19 90.4(4) . . ?
F18 S4 F20 87.4(3) . . ?
F18 S4 C44 92.8(4) . . ?
F19 S4 F16 89.5(3) . . ?
F19 S4 F17 175.6(3) . . ?
F19 S4 C44 92.2(4) . . ?
F20 S4 F16 88.1(3) . . ?
F20 S4 F17 88.1(3) . . ?
F20 S4 F19 87.7(3) . . ?
F20 S4 C44 179.8(5) . . ?
F21 S5 F23 175.5(3) . . ?
F21 S5 F24 90.4(3) . . ?
F21 S5 C48 91.5(4) . . ?
F22 S5 F21 89.7(3) . . ?
F22 S5 F23 89.8(4) . . ?
F22 S5 F24 175.5(3) . . ?
F22 S5 C48 92.5(3) . . ?
F23 S5 C48 93.0(4) . . ?
F24 S5 F23 89.8(3) . . ?
F24 S5 C48 92.0(4) . . ?
F25 S5 F21 88.0(3) . . ?
F25 S5 F22 87.8(3) . . ?
F25 S5 F23 87.5(4) . . ?
F25 S5 F24 87.6(4) . . ?
F25 S5 C48 179.4(5) . . ?
F26 S6 F28 175.6(3) . . ?
F26 S6 F29 90.8(4) . . ?
F26 S6 C50 92.7(4) . . ?
F27 S6 F26 89.7(4) . . ?
F27 S6 F28 89.4(3) . . ?
F27 S6 F29 175.4(3) . . ?
F27 S6 F30 87.8(3) . . ?
F27 S6 C50 92.2(4) . . ?
F28 S6 C50 91.7(4) . . ?
F29 S6 F28 89.7(4) . . ?
F29 S6 C50 92.3(4) . . ?
F30 S6 F26 88.3(3) . . ?
F30 S6 F28 87.4(3) . . ?
F30 S6 F29 87.7(3) . . ?
F30 S6 C50 179.0(4) . . ?
F31 S7 C54 91.7(3) . . ?
F32 S7 F31 90.9(4) . . ?
F32 S7 F33 89.7(4) . . ?
F32 S7 F34 174.9(3) . . ?
F32 S7 C54 91.6(4) . . ?
F33 S7 F31 175.7(3) . . ?
F33 S7 C54 92.5(4) . . ?
F34 S7 F31 88.5(3) . . ?
F34 S7 F33 90.7(4) . . ?
F34 S7 C54 93.4(4) . . ?
F35 S7 F31 87.7(3) . . ?
F35 S7 F32 88.1(4) . . ?
F35 S7 F33 88.1(3) . . ?
F35 S7 F34 86.9(4) . . ?
F35 S7 C54 179.3(4) . . ?
F36 S8 F37 88.8(3) . . ?
F36 S8 F38 175.6(3) . . ?
F36 S8 C56 91.8(4) . . ?
F37 S8 C56 91.7(4) . . ?
F38 S8 F37 90.5(4) . . ?
F38 S8 C56 92.5(4) . . ?
F39 S8 F36 90.2(4) . . ?
F39 S8 F37 175.6(3) . . ?
F39 S8 F38 90.2(4) . . ?
F39 S8 F40 88.0(4) . . ?
F39 S8 C56 92.6(4) . . ?
F40 S8 F36 88.2(4) . . ?
F40 S8 F37 87.7(4) . . ?
F40 S8 F38 87.5(4) . . ?
F40 S8 C56 179.3(4) . . ?
C35 C34 C39 117.1(7) . . ?
C35 C34 B1 120.0(7) . . ?
C39 C34 B1 122.6(7) . . ?
C34 C35 H35 119.5 . . ?
C36 C35 C34 121.1(7) . . ?
C36 C35 H35 119.5 . . ?
C35 C36 S1 119.4(6) . . ?
C35 C36 C37 122.2(8) . . ?
C37 C36 S1 118.4(7) . . ?
C36 C37 H37 121.2 . . ?
C38 C37 C36 117.7(8) . . ?
C38 C37 H37 121.2 . . ?
C37 C38 S2 119.7(7) . . ?
C37 C38 C39 121.9(8) . . ?
C39 C38 S2 118.4(6) . . ?
C34 C39 C38 120.1(8) . . ?
C34 C39 H39 120.0 . . ?
C38 C39 H39 120.0 . . ?
C41 C40 B1 120.4(7) . . ?
C45 C40 C41 117.6(8) . . ?
C45 C40 B1 121.1(7) . . ?
C40 C41 H41 120.3 . . ?
C40 C41 C42 119.4(8) . . ?
C42 C41 H41 120.3 . . ?
C41 C42 S3 118.8(7) . . ?
C43 C42 S3 117.7(7) . . ?
C43 C42 C41 123.5(8) . . ?
C42 C43 H43 121.9 . . ?
C42 C43 C44 116.1(8) . . ?
C44 C43 H43 121.9 . . ?
C43 C44 S4 118.5(7) . . ?
C43 C44 C45 121.9(8) . . ?
C45 C44 S4 119.6(6) . . ?
C40 C45 C44 121.4(7) . . ?
C40 C45 H45 119.3 . . ?
C44 C45 H45 119.3 . . ?
C47 C46 B1 119.8(7) . . ?
C51 C46 C47 117.4(8) . . ?
C51 C46 B1 122.4(7) . . ?
C46 C47 H47 120.1 . . ?
C48 C47 C46 119.7(7) . . ?
C48 C47 H47 120.1 . . ?
C47 C48 S5 118.0(6) . . ?
C47 C48 C49 123.3(8) . . ?
C49 C48 S5 118.6(7) . . ?
C48 C49 H49 121.7 . . ?
C50 C49 C48 116.6(8) . . ?
C50 C49 H49 121.7 . . ?
C49 C50 S6 118.9(7) . . ?
C49 C50 C51 122.1(8) . . ?
C51 C50 S6 118.9(7) . . ?
C46 C51 C50 120.8(8) . . ?
C46 C51 H51 119.6 . . ?
C50 C51 H51 119.6 . . ?
C53 C52 B1 120.1(7) . . ?
C57 C52 C53 116.7(7) . . ?
C57 C52 B1 123.0(7) . . ?
C52 C53 H53 119.2 . . ?
C54 C53 C52 121.6(8) . . ?
C54 C53 H53 119.2 . . ?
C53 C54 S7 119.2(7) . . ?
C53 C54 C55 122.2(8) . . ?
C55 C54 S7 118.6(7) . . ?
C54 C55 H55 121.7 . . ?
C56 C55 C54 116.6(8) . . ?
C56 C55 H55 121.7 . . ?
C55 C56 S8 119.7(7) . . ?
C55 C56 C57 121.8(8) . . ?
C57 C56 S8 118.5(6) . . ?
C52 C57 C56 120.9(8) . . ?
C52 C57 H57 119.5 . . ?
C56 C57 H57 119.5 . . ?
C34 B1 C40 103.2(7) . . ?
C34 B1 C46 111.7(7) . . ?
C34 B1 C52 112.9(6) . . ?
C46 B1 C40 113.1(6) . . ?
C46 B1 C52 103.9(7) . . ?
C52 B1 C40 112.4(7) . . ?
Rh1 C1 H1A 40.7 . . ?
Rh1 C1 H1B 120.2 . . ?
H1A C1 H1B 109.2 . . ?
C2 C1 Rh1 70.9(5) . . ?
C2 C1 H1A 111.2 . . ?
C2 C1 H1B 111.2 . . ?
C6 C1 Rh1 126.9(8) . . ?
C6 C1 H1A 111.2 . . ?
C6 C1 H1B 111.2 . . ?
C6 C1 C2 102.6(8) . . ?
Rh1 C2 H2A 118.8 . . ?
Rh1 C2 H2B 41.4 . . ?
C1 C2 Rh1 70.4(5) . . ?
C1 C2 H2A 111.1 . . ?
C1 C2 H2B 111.1 . . ?
H2A C2 H2B 109.1 . . ?
C3 C2 Rh1 128.6(8) . . ?
C3 C2 C1 103.2(9) . . ?
C3 C2 H2A 111.1 . . ?
C3 C2 H2B 111.1 . . ?
C2 C3 H3 113.9 . . ?
C2 C3 C7 101.4(9) . . ?
C4 C3 C2 110.6(9) . . ?
C4 C3 H3 113.9 . . ?
C4 C3 C7 101.7(10) . . ?
C7 C3 H3 113.9 . . ?
C3 C4 H4A 111.0 . . ?
C3 C4 H4B 111.0 . . ?
C3 C4 C5 103.9(10) . . ?
H4A C4 H4B 109.0 . . ?
C5 C4 H4A 111.0 . . ?
C5 C4 H4B 111.0 . . ?
C4 C5 H5A 110.9 . . ?
C4 C5 H5B 110.9 . . ?
C4 C5 C6 104.1(9) . . ?
H5A C5 H5B 109.0 . . ?
C6 C5 H5A 110.9 . . ?
C6 C5 H5B 110.9 . . ?
C1 C6 C5 109.5(9) . . ?
C1 C6 H6 115.1 . . ?
C1 C6 C7 100.0(9) . . ?
C5 C6 H6 115.1 . . ?
C5 C6 C7 100.1(9) . . ?
C7 C6 H6 115.1 . . ?
C3 C7 C6 93.8(9) . . ?
C3 C7 H7A 113.0 . . ?
C3 C7 H7B 113.0 . . ?
C6 C7 H7A 113.0 . . ?
C6 C7 H7B 113.0 . . ?
H7A C7 H7B 110.4 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 P1 C8 C9 -32.1(7) . . . . ?
Rh1 P1 C10 C11 -51.8(8) . . . . ?
Rh1 P1 C10 C15 -178.3(6) . . . . ?
Rh1 P1 C16 C17 -72.5(7) . . . . ?
Rh1 P1 C16 C21 52.5(7) . . . . ?
Rh1 P2 C9 C8 -28.8(7) . . . . ?
Rh1 P2 C22 C23 78.3(8) . . . . ?
Rh1 P2 C22 C27 -46.0(8) . . . . ?
Rh1 P2 C28 C29 -176.4(6) . . . . ?
Rh1 P2 C28 C33 -50.5(8) . . . . ?
Rh1 C1 C2 C3 126.6(8) . . . . ?
Rh1 C1 C6 C5 -7.9(13) . . . . ?
Rh1 C1 C6 C7 -112.5(9) . . . . ?
Rh1 C2 C3 C4 3.6(14) . . . . ?
Rh1 C2 C3 C7 110.9(9) . . . . ?
P1 C8 C9 P2 36.9(8) . . . . ?
P1 C10 C11 C12 170.3(8) . . . . ?
P1 C10 C15 C14 -172.5(7) . . . . ?
P1 C16 C17 C18 178.1(7) . . . . ?
P1 C16 C21 C20 -178.1(8) . . . . ?
P2 C22 C23 C24 -180.0(8) . . . . ?
P2 C22 C27 C26 -176.0(8) . . . . ?
P2 C28 C29 C30 -173.8(6) . . . . ?
P2 C28 C33 C32 171.7(7) . . . . ?
C8 P1 C10 C11 68.8(8) . . . . ?
C8 P1 C10 C15 -57.7(8) . . . . ?
C8 P1 C16 C17 163.9(7) . . . . ?
C8 P1 C16 C21 -71.0(8) . . . . ?
C9 P2 C22 C23 -46.6(9) . . . . ?
C9 P2 C22 C27 -170.9(7) . . . . ?
C9 P2 C28 C29 -51.7(8) . . . . ?
C9 P2 C28 C33 74.2(8) . . . . ?
C10 P1 C8 C9 -152.0(6) . . . . ?
C10 P1 C16 C17 48.9(8) . . . . ?
C10 P1 C16 C21 173.9(7) . . . . ?
C10 C11 C12 C13 57.2(12) . . . . ?
C11 C10 C15 C14 59.9(11) . . . . ?
C11 C12 C13 C14 -55.4(13) . . . . ?
C12 C13 C14 C15 55.9(14) . . . . ?
C13 C14 C15 C10 -57.5(13) . . . . ?
C15 C10 C11 C12 -59.9(12) . . . . ?
C16 P1 C8 C9 94.8(7) . . . . ?
C16 P1 C10 C11 -177.3(7) . . . . ?
C16 P1 C10 C15 56.1(8) . . . . ?
C16 C17 C18 C19 -56.5(12) . . . . ?
C17 C16 C21 C20 -52.7(12) . . . . ?
C17 C18 C19 C20 57.6(13) . . . . ?
C18 C19 C20 C21 -56.4(13) . . . . ?
C19 C20 C21 C16 54.5(13) . . . . ?
C21 C16 C17 C18 53.7(11) . . . . ?
C22 P2 C9 C8 96.3(7) . . . . ?
C22 P2 C28 C29 60.3(8) . . . . ?
C22 P2 C28 C33 -173.8(7) . . . . ?
C22 C23 C24 C25 56.5(13) . . . . ?
C23 C22 C27 C26 57.0(12) . . . . ?
C23 C24 C25 C26 -56.6(13) . . . . ?
C24 C25 C26 C27 55.3(13) . . . . ?
C25 C26 C27 C22 -56.0(14) . . . . ?
C27 C22 C23 C24 -56.4(12) . . . . ?
C28 P2 C9 C8 -153.4(6) . . . . ?
C28 P2 C22 C23 -158.7(8) . . . . ?
C28 P2 C22 C27 77.0(8) . . . . ?
C28 C29 C30 C31 -57.1(12) . . . . ?
C29 C28 C33 C32 -59.5(11) . . . . ?
C29 C30 C31 C32 54.6(13) . . . . ?
C30 C31 C32 C33 -55.1(12) . . . . ?
C31 C32 C33 C28 57.8(11) . . . . ?
C33 C28 C29 C30 58.7(10) . . . . ?
S1 C36 C37 C38 -178.5(7) . . . . ?
S2 C38 C39 C34 177.4(6) . . . . ?
S3 C42 C43 C44 176.3(7) . . . . ?
S4 C44 C45 C40 -178.9(7) . . . . ?
S5 C48 C49 C50 -178.2(7) . . . . ?
S6 C50 C51 C46 179.9(6) . . . . ?
S7 C54 C55 C56 175.5(7) . . . . ?
S8 C56 C57 C52 -178.7(6) . . . . ?
F1 S1 C36 C35 49.3(8) . . . . ?
F1 S1 C36 C37 -130.3(7) . . . . ?
F2 S1 C36 C35 -40.8(8) . . . . ?
F2 S1 C36 C37 139.6(7) . . . . ?
F3 S1 C36 C35 -130.7(7) . . . . ?
F3 S1 C36 C37 49.7(8) . . . . ?
F4 S1 C36 C35 139.0(7) . . . . ?
F4 S1 C36 C37 -40.6(8) . . . . ?
F6 S2 C38 C37 43.7(8) . . . . ?
F6 S2 C38 C39 -134.2(8) . . . . ?
F7 S2 C38 C37 -45.8(8) . . . . ?
F7 S2 C38 C39 136.3(8) . . . . ?
F8 S2 C38 C37 -135.2(8) . . . . ?
F8 S2 C38 C39 46.9(8) . . . . ?
F9 S2 C38 C37 134.3(8) . . . . ?
F9 S2 C38 C39 -43.6(8) . . . . ?
F11 S3 C42 C41 42.7(9) . . . . ?
F11 S3 C42 C43 -135.7(9) . . . . ?
F12 S3 C42 C41 133.5(8) . . . . ?
F12 S3 C42 C43 -44.9(9) . . . . ?
F13 S3 C42 C41 -137.2(8) . . . . ?
F13 S3 C42 C43 44.3(9) . . . . ?
F14 S3 C42 C41 -48.0(9) . . . . ?
F14 S3 C42 C43 133.5(9) . . . . ?
F16 S4 C44 C43 134.8(8) . . . . ?
F16 S4 C44 C45 -45.9(7) . . . . ?
F17 S4 C44 C43 45.3(8) . . . . ?
F17 S4 C44 C45 -135.5(7) . . . . ?
F18 S4 C44 C43 -45.1(8) . . . . ?
F18 S4 C44 C45 134.2(7) . . . . ?
F19 S4 C44 C43 -135.6(8) . . . . ?
F19 S4 C44 C45 43.7(7) . . . . ?
F21 S5 C48 C47 43.9(7) . . . . ?
F21 S5 C48 C49 -137.5(7) . . . . ?
F22 S5 C48 C47 -45.8(7) . . . . ?
F22 S5 C48 C49 132.8(7) . . . . ?
F23 S5 C48 C47 -135.8(7) . . . . ?
F23 S5 C48 C49 42.9(8) . . . . ?
F24 S5 C48 C47 134.3(7) . . . . ?
F24 S5 C48 C49 -47.1(8) . . . . ?
F26 S6 C50 C49 48.4(8) . . . . ?
F26 S6 C50 C51 -132.2(7) . . . . ?
F27 S6 C50 C49 -41.5(8) . . . . ?
F27 S6 C50 C51 138.0(7) . . . . ?
F28 S6 C50 C49 -130.9(8) . . . . ?
F28 S6 C50 C51 48.6(7) . . . . ?
F29 S6 C50 C49 139.3(8) . . . . ?
F29 S6 C50 C51 -41.2(8) . . . . ?
F31 S7 C54 C53 48.6(7) . . . . ?
F31 S7 C54 C55 -130.4(7) . . . . ?
F32 S7 C54 C53 -42.3(7) . . . . ?
F32 S7 C54 C55 138.6(7) . . . . ?
F33 S7 C54 C53 -132.0(7) . . . . ?
F33 S7 C54 C55 48.9(8) . . . . ?
F34 S7 C54 C53 137.2(7) . . . . ?
F34 S7 C54 C55 -41.9(8) . . . . ?
F36 S8 C56 C55 46.0(8) . . . . ?
F36 S8 C56 C57 -135.9(7) . . . . ?
F37 S8 C56 C55 -42.9(8) . . . . ?
F37 S8 C56 C57 135.3(7) . . . . ?
F38 S8 C56 C55 -133.4(8) . . . . ?
F38 S8 C56 C57 44.7(7) . . . . ?
F39 S8 C56 C55 136.3(8) . . . . ?
F39 S8 C56 C57 -45.6(7) . . . . ?
C34 C35 C36 S1 178.6(6) . . . . ?
C34 C35 C36 C37 -1.8(14) . . . . ?
C35 C34 C39 C38 0.6(12) . . . . ?
C35 C34 B1 C40 81.9(9) . . . . ?
C35 C34 B1 C46 -39.9(10) . . . . ?
C35 C34 B1 C52 -156.5(7) . . . . ?
C35 C36 C37 C38 1.8(14) . . . . ?
C36 C37 C38 S2 -178.6(7) . . . . ?
C36 C37 C38 C39 -0.7(14) . . . . ?
C37 C38 C39 C34 -0.4(14) . . . . ?
C39 C34 C35 C36 0.5(12) . . . . ?
C39 C34 B1 C40 -91.2(9) . . . . ?
C39 C34 B1 C46 147.0(8) . . . . ?
C39 C34 B1 C52 30.4(11) . . . . ?
C40 C41 C42 S3 -176.9(7) . . . . ?
C40 C41 C42 C43 1.5(15) . . . . ?
C41 C40 C45 C44 -1.0(13) . . . . ?
C41 C40 B1 C34 -83.1(9) . . . . ?
C41 C40 B1 C46 37.8(11) . . . . ?
C41 C40 B1 C52 155.0(8) . . . . ?
C41 C42 C43 C44 -2.0(15) . . . . ?
C42 C43 C44 S4 -179.7(7) . . . . ?
C42 C43 C44 C45 1.1(14) . . . . ?
C43 C44 C45 C40 0.4(13) . . . . ?
C45 C40 C41 C42 0.1(13) . . . . ?
C45 C40 B1 C34 86.0(9) . . . . ?
C45 C40 B1 C46 -153.2(8) . . . . ?
C45 C40 B1 C52 -35.9(11) . . . . ?
C46 C47 C48 S5 179.4(6) . . . . ?
C46 C47 C48 C49 0.9(13) . . . . ?
C47 C46 C51 C50 1.9(12) . . . . ?
C47 C46 B1 C34 -37.7(10) . . . . ?
C47 C46 B1 C40 -153.6(7) . . . . ?
C47 C46 B1 C52 84.3(9) . . . . ?
C47 C48 C49 C50 0.4(14) . . . . ?
C48 C49 C50 S6 178.9(7) . . . . ?
C48 C49 C50 C51 -0.5(13) . . . . ?
C49 C50 C51 C46 -0.6(13) . . . . ?
C51 C46 C47 C48 -2.0(12) . . . . ?
C51 C46 B1 C34 150.1(7) . . . . ?
C51 C46 B1 C40 34.2(11) . . . . ?
C51 C46 B1 C52 -87.9(9) . . . . ?
C52 C53 C54 S7 -178.6(6) . . . . ?
C52 C53 C54 C55 0.4(13) . . . . ?
C53 C52 C57 C56 -2.5(12) . . . . ?
C53 C52 B1 C34 36.5(10) . . . . ?
C53 C52 B1 C40 152.8(7) . . . . ?
C53 C52 B1 C46 -84.6(9) . . . . ?
C53 C54 C55 C56 -3.6(13) . . . . ?
C54 C55 C56 S8 -178.3(7) . . . . ?
C54 C55 C56 C57 3.7(13) . . . . ?
C55 C56 C57 C52 -0.7(13) . . . . ?
C57 C52 C53 C54 2.7(12) . . . . ?
C57 C52 B1 C34 -149.3(8) . . . . ?
C57 C52 B1 C40 -33.1(11) . . . . ?
C57 C52 B1 C46 89.5(9) . . . . ?
B1 C34 C35 C36 -172.9(8) . . . . ?
B1 C34 C39 C38 173.8(8) . . . . ?
B1 C40 C41 C42 169.6(8) . . . . ?
B1 C40 C45 C44 -170.4(8) . . . . ?
B1 C46 C47 C48 -174.6(8) . . . . ?
B1 C46 C51 C50 174.3(8) . . . . ?
B1 C52 C53 C54 177.2(8) . . . . ?
B1 C52 C57 C56 -176.9(8) . . . . ?
C1 C2 C3 C4 -71.7(11) . . . . ?
C1 C2 C3 C7 35.6(10) . . . . ?
C1 C6 C7 C3 58.0(10) . . . . ?
C2 C1 C6 C5 67.6(11) . . . . ?
C2 C1 C6 C7 -37.0(10) . . . . ?
C2 C3 C4 C5 69.2(12) . . . . ?
C2 C3 C7 C6 -57.3(10) . . . . ?
C3 C4 C5 C6 2.2(12) . . . . ?
C4 C3 C7 C6 56.8(10) . . . . ?
C4 C5 C6 C1 -71.5(11) . . . . ?
C4 C5 C6 C7 33.0(11) . . . . ?
C5 C6 C7 C3 -54.1(10) . . . . ?
C6 C1 C2 Rh1 -125.0(8) . . . . ?
C6 C1 C2 C3 1.6(11) . . . . ?
C7 C3 C4 C5 -37.9(11) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.969
_oxdiff_exptl_absorpt_empirical_full_min 0.576
