# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
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# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
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# Please retain this information to preserve the provenance of 
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data_eli156_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2421484'
loop_
_audit_author_name
_audit_author_address
'Elishua D. Litle'
;Texas A and M University
United States of America
;
_audit_update_record             
;
2025-02-05 deposited with the CCDC.	2025-05-05 downloaded from the CCDC.
;
_audit_creation_date             2025-02-05
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelxl_version_number           2013-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         '2(C40 H37 Cl N P Rh), 2(C F3 O3 S), C H2 Cl'
_chemical_formula_sum            'C83 H76 Cl3 F6 N2 O6 P2 Rh2 S2'
_chemical_formula_weight         1749.68
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.6732(9)
_cell_length_b                   15.7373(11)
_cell_length_c                   17.8565(12)
_cell_angle_alpha                91.328(2)
_cell_angle_beta                 91.152(2)
_cell_angle_gamma                102.706(2)
_cell_volume                     3746.0(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9884
_cell_measurement_temperature    112.00
_cell_measurement_theta_max      27.190
_cell_measurement_theta_min      2.283
_shelx_estimated_absorpt_T_max   0.956
_shelx_estimated_absorpt_T_min   0.644
_exptl_absorpt_coefficient_mu    0.718
_exptl_absorpt_correction_T_max  0.3782
_exptl_absorpt_correction_T_min  0.3252
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1577 before and 0.0675 after correction.
The Ratio of minimum to maximum transmission is 0.8599.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.551
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1786
_exptl_crystal_size_max          0.671
_exptl_crystal_size_mid          0.131
_exptl_crystal_size_min          0.063
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0799
_diffrn_reflns_av_unetI/netI     0.0511
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            120346
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.527
_diffrn_reflns_theta_min         1.774
_diffrn_ambient_temperature      112.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13420
_reflns_number_total             17210
_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       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         1.569
_refine_diff_density_min         -1.044
_refine_diff_density_rms         0.106
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     957
_refine_ls_number_reflns         17210
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0829
_refine_ls_R_factor_gt           0.0610
_refine_ls_restrained_S_all      1.067
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0531P)²+11.9098P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1365
_refine_ls_wR_factor_ref         0.1468
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1.a Ternary CH refined with riding coordinates:
 C34(H34), C38'(H38'), C37(H37), C38(H38), C33(H33), C37'(H37'), C34'(H34'),
 C33'(H33')
1.b Secondary CH2 refined with riding coordinates:
 C39'(H39A,H39B), C35(H35C,H35D), C36(H36C,H36D), C36'(H36A,H36B), C40'(H40A,
 H40B), C39(H39C,H39D), C40(H40C,H40D), C35'(H35A,H35B), C2(H42A,H42B)
1.c Aromatic/amide H refined with riding coordinates:
 C20'(H20'), C32'(H32'), C1'(H1'), C19'(H19'), C41(H1), C20(H20), C17(H17),
 C17'(H17'), C4'(H4'), C4(H4), C8(H8), C1(H2), C5(H5), C8'(H8'), C25'(H25'),
 C28'(H28'), C19(H19), C32(H32), C31'(H31'), C18'(H18'), C24'(H24'), C3'(H3'),
 C5'(H5'), C26'(H26'), C18(H18), C3(H3), C31(H31), C2'(H2'), C30'(H30'),
 C6'(H6'), C28(H28), C7'(H7'), C6(H6), C26(H26), C29'(H29'), C22(H22), C7(H7),
 C29(H29), C24(H24), C30(H30), C22'(H22'), C23'(H23'), C23(H23), C25(H25)
1.d Idealised Me refined as rotating group:
 C14(H14D,H14E,H14F), C14'(H14A,H14B,H14C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.84799(3) 0.78532(2) 0.39803(2) 0.02659(9) Uani 1 1 d . . . . .
Rh1 Rh 0.64318(3) 1.20365(2) 0.48577(2) 0.02818(10) Uani 1 1 d . . . . .
S1 S 0.79405(8) 0.60262(8) -0.10078(6) 0.0278(2) Uani 1 1 d . . . . .
P1' P 0.89437(8) 0.82469(7) 0.27650(6) 0.0225(2) Uani 1 1 d . . . . .
P1 P 0.62534(8) 1.27645(7) 0.37662(6) 0.0243(2) Uani 1 1 d . . . . .
S1' S 1.31984(9) 0.87117(8) 0.02971(7) 0.0338(3) Uani 1 1 d . . . . .
Cl1 Cl 0.71927(10) 1.10561(8) 0.41698(7) 0.0401(3) Uani 1 1 d . . . . .
Cl1' Cl 0.75644(12) 0.64929(8) 0.35074(7) 0.0485(3) Uani 1 1 d . . . . .
Cl2 Cl 0.86425(17) 0.50075(16) 0.55881(16) 0.0996(7) Uani 1 1 d . . . . .
F1' F 1.3055(2) 0.7120(2) 0.0732(2) 0.0507(8) Uani 1 1 d . . . . .
O2 O 0.8769(2) 0.5724(2) -0.06832(18) 0.0367(8) Uani 1 1 d . . . . .
F2 F 0.8229(2) 0.5338(2) -0.23099(17) 0.0510(8) Uani 1 1 d . . . . .
F3 F 0.6688(2) 0.5343(2) -0.20985(18) 0.0549(9) Uani 1 1 d . . . . .
F1 F 0.7397(2) 0.4430(2) -0.1561(2) 0.0572(9) Uani 1 1 d . . . . .
O3 O 0.7071(2) 0.5908(3) -0.05515(18) 0.0395(8) Uani 1 1 d . . . . .
N1 N 0.8079(2) 1.3483(2) 0.09712(19) 0.0223(7) Uani 1 1 d . . . . .
O1 O 0.8201(3) 0.6850(2) -0.1362(2) 0.0439(9) Uani 1 1 d . . . . .
N1' N 0.6982(3) 0.7980(2) 0.0062(2) 0.0233(7) Uani 1 1 d . . . . .
O3' O 1.3163(3) 0.9500(2) 0.0683(2) 0.0517(10) Uani 1 1 d . . . . .
C9' C 0.8303(3) 0.7353(3) 0.1002(2) 0.0211(8) Uani 1 1 d . . . . .
C16' C 0.9277(3) 0.7331(3) 0.2242(2) 0.0213(8) Uani 1 1 d . . . . .
C15' C 0.9024(3) 0.7025(3) 0.1508(2) 0.0216(8) Uani 1 1 d . . . . .
F2' F 1.3665(4) 0.8090(3) 0.15551(19) 0.0770(12) Uani 1 1 d . . . . .
C15 C 0.5846(3) 1.1884(3) 0.2288(2) 0.0226(8) Uani 1 1 d . . . . .
C13 C 0.8346(3) 1.2874(3) 0.1422(2) 0.0232(8) Uani 1 1 d . . . . .
C12' C 0.8675(3) 0.7935(3) 0.0438(2) 0.0205(8) Uani 1 1 d . . . . .
C10 C 0.6406(3) 1.3168(3) 0.1461(2) 0.0210(8) Uani 1 1 d . . . . .
F3' F 1.2109(3) 0.7813(3) 0.1300(3) 0.0987(18) Uani 1 1 d . . . . .
C9 C 0.6641(3) 1.2499(3) 0.1884(2) 0.0203(8) Uani 1 1 d . . . . .
C11 C 0.7144(3) 1.3664(3) 0.0995(2) 0.0207(8) Uani 1 1 d . . . . .
C20' C 0.9464(3) 0.6382(3) 0.1199(2) 0.0246(9) Uani 1 1 d . . . . .
H20' H 0.9274 0.6162 0.0705 0.030 Uiso 1 1 calc R U . . .
C32' C 0.8198(3) 0.9267(3) 0.1694(2) 0.0244(9) Uani 1 1 d . . . . .
H32' H 0.8871 0.9460 0.1544 0.029 Uiso 1 1 calc R U . . .
C1' C 0.6861(3) 0.6480(3) 0.1644(3) 0.0255(9) Uani 1 1 d . . . . .
H1' H 0.7301 0.6267 0.1974 0.031 Uiso 1 1 calc R U . . .
C27' C 0.7984(3) 0.8668(3) 0.2263(2) 0.0254(9) Uani 1 1 d . . . . .
C10' C 0.7263(3) 0.7067(3) 0.1077(2) 0.0215(8) Uani 1 1 d . . . . .
C12 C 0.7607(3) 1.2344(3) 0.1872(2) 0.0233(8) Uani 1 1 d . . . . .
C19' C 1.0170(3) 0.6058(3) 0.1599(3) 0.0267(9) Uani 1 1 d . . . . .
H19' H 1.0484 0.5638 0.1373 0.032 Uiso 1 1 calc R U . . .
C1 C 0.5445(3) 1.3374(3) 0.1481(2) 0.0238(9) Uani 1 1 d . . . . .
H1 H 0.4945 1.3052 0.1789 0.029 Uiso 1 1 calc R U . . .
C20 C 0.5286(3) 1.1204(3) 0.1843(3) 0.0265(9) Uani 1 1 d . . . . .
H20 H 0.5418 1.1174 0.1324 0.032 Uiso 1 1 calc R U . . .
C17 C 0.4910(3) 1.1278(3) 0.3351(3) 0.0285(9) Uani 1 1 d . . . . .
H17 H 0.4784 1.1289 0.3872 0.034 Uiso 1 1 calc R U . . .
C13' C 0.7991(3) 0.8257(3) -0.0033(2) 0.0229(8) Uani 1 1 d . . . . .
C17' C 0.9959(3) 0.6964(3) 0.2648(3) 0.0280(9) Uani 1 1 d . . . . .
H17' H 1.0110 0.7142 0.3157 0.034 Uiso 1 1 calc R U . . .
C16 C 0.5657(3) 1.1939(3) 0.3056(2) 0.0234(8) Uani 1 1 d . . . . .
C21' C 1.0069(3) 0.9107(3) 0.2634(2) 0.0243(9) Uani 1 1 d . . . . .
C11' C 0.6599(3) 0.7390(3) 0.0589(2) 0.0234(8) Uani 1 1 d . . . . .
C27 C 0.7411(3) 1.3417(3) 0.3410(2) 0.0271(9) Uani 1 1 d . . . . .
O1' O 1.4126(4) 0.8626(4) 0.0002(3) 0.0897(19) Uani 1 1 d . . . . .
C4' C 0.5551(3) 0.7091(3) 0.0684(3) 0.0302(10) Uani 1 1 d . . . . .
H4' H 0.5090 0.7290 0.0363 0.036 Uiso 1 1 calc R U . . .
C4 C 0.6900(3) 1.4337(3) 0.0571(2) 0.0256(9) Uani 1 1 d . . . . .
H4 H 0.7384 1.4671 0.0258 0.031 Uiso 1 1 calc R U . . .
C8 C 0.9347(3) 1.2752(3) 0.1448(3) 0.0295(10) Uani 1 1 d . . . . .
H8 H 0.9848 1.3105 0.1160 0.035 Uiso 1 1 calc R U . . .
C2 C 0.5230(3) 1.4026(3) 0.1066(3) 0.0283(9) Uani 1 1 d . . . . .
H2 H 0.4584 1.4156 0.1082 0.034 Uiso 1 1 calc R U . . .
C5 C 0.7899(3) 1.1688(3) 0.2300(3) 0.0330(10) Uani 1 1 d . . . . .
H5 H 0.7415 1.1313 0.2586 0.040 Uiso 1 1 calc R U . . .
C8' C 0.8369(3) 0.8869(3) -0.0569(3) 0.0283(9) Uani 1 1 d . . . . .
H8' H 0.7919 0.9095 -0.0879 0.034 Uiso 1 1 calc R U . . .
C25' C 1.0911(3) 1.0622(3) 0.2798(3) 0.0299(10) Uani 1 1 d . . . . .
H25' H 1.0886 1.1196 0.2960 0.036 Uiso 1 1 calc R U . . .
C28' C 0.6986(3) 0.8393(3) 0.2481(3) 0.0295(10) Uani 1 1 d . . . . .
H28' H 0.6824 0.7996 0.2876 0.035 Uiso 1 1 calc R U . . .
C19 C 0.4539(3) 1.0570(3) 0.2142(3) 0.0301(10) Uani 1 1 d . . . . .
H19 H 0.4158 1.0111 0.1832 0.036 Uiso 1 1 calc R U . . .
C21 C 0.5417(3) 1.3534(3) 0.3781(2) 0.0284(9) Uani 1 1 d . . . . .
C32 C 0.7440(3) 1.4141(3) 0.2964(2) 0.0273(9) Uani 1 1 d . . . . .
H32 H 0.6838 1.4321 0.2843 0.033 Uiso 1 1 calc R U . . .
C31' C 0.7446(3) 0.9586(3) 0.1344(3) 0.0292(9) Uani 1 1 d . . . . .
H31' H 0.7604 1.0003 0.0964 0.035 Uiso 1 1 calc R U . . .
C18' C 1.0419(3) 0.6350(3) 0.2329(3) 0.0284(9) Uani 1 1 d . . . . .
H18' H 1.0903 0.6131 0.2609 0.034 Uiso 1 1 calc R U . . .
C24' C 1.1755(3) 1.0464(3) 0.2476(3) 0.0334(10) Uani 1 1 d . . . . .
H24' H 1.2331 1.0923 0.2431 0.040 Uiso 1 1 calc R U . . .
C14 C 0.8819(3) 1.3917(3) 0.0436(3) 0.0317(10) Uani 1 1 d . . . . .
H14D H 0.9333 1.4358 0.0704 0.048 Uiso 1 1 calc R U . . .
H14E H 0.8482 1.4198 0.0056 0.048 Uiso 1 1 calc R U . . .
H14F H 0.9135 1.3485 0.0194 0.048 Uiso 1 1 calc R U . . .
C3' C 0.5205(3) 0.6532(3) 0.1224(3) 0.0352(11) Uani 1 1 d . . . . .
H3' H 0.4501 0.6340 0.1274 0.042 Uiso 1 1 calc R U . . .
C5' C 0.9726(3) 0.8240(3) 0.0329(3) 0.0265(9) Uani 1 1 d . . . . .
H5' H 1.0195 0.8028 0.0632 0.032 Uiso 1 1 calc R U . . .
C26' C 1.0087(3) 0.9937(3) 0.2885(2) 0.0283(9) Uani 1 1 d . . . . .
H26' H 0.9516 1.0050 0.3130 0.034 Uiso 1 1 calc R U . . .
C18 C 0.4357(3) 1.0618(3) 0.2902(3) 0.0329(10) Uani 1 1 d . . . . .
H18 H 0.3846 1.0189 0.3114 0.040 Uiso 1 1 calc R U . . .
C3 C 0.5969(3) 1.4506(3) 0.0612(2) 0.0290(10) Uani 1 1 d . . . . .
H3 H 0.5813 1.4962 0.0326 0.035 Uiso 1 1 calc R U . . .
C31 C 0.8341(3) 1.4595(3) 0.2698(3) 0.0316(10) Uani 1 1 d . . . . .
H31 H 0.8359 1.5093 0.2403 0.038 Uiso 1 1 calc R U . . .
C2' C 0.5851(3) 0.6220(3) 0.1718(3) 0.0324(10) Uani 1 1 d . . . . .
H2' H 0.5585 0.5833 0.2100 0.039 Uiso 1 1 calc R U . . .
C30' C 0.6455(4) 0.9291(3) 0.1553(3) 0.0344(11) Uani 1 1 d . . . . .
H30' H 0.5933 0.9496 0.1307 0.041 Uiso 1 1 calc R U . . .
C6' C 1.0058(3) 0.8828(3) -0.0202(3) 0.0321(10) Uani 1 1 d . . . . .
H6' H 1.0758 0.9028 -0.0269 0.038 Uiso 1 1 calc R U . . .
C34 C 0.5405(4) 1.2619(3) 0.5446(3) 0.0371(11) Uani 1 1 d . . . . .
H34 H 0.4983 1.2908 0.5116 0.045 Uiso 1 1 calc R U . . .
C28 C 0.8309(4) 1.3177(3) 0.3600(3) 0.0344(11) Uani 1 1 d . . . . .
H28 H 0.8306 1.2705 0.3922 0.041 Uiso 1 1 calc R U . . .
C7' C 0.9372(4) 0.9143(3) -0.0652(3) 0.0349(11) Uani 1 1 d . . . . .
H7' H 0.9614 0.9555 -0.1023 0.042 Uiso 1 1 calc R U . . .
C41' C 0.7543(3) 0.5248(3) -0.1783(3) 0.0324(10) Uani 1 1 d . . . . .
C6 C 0.8854(4) 1.1590(3) 0.2307(3) 0.0423(13) Uani 1 1 d . . . . .
H6 H 0.9038 1.1152 0.2601 0.051 Uiso 1 1 calc R U . . .
C26 C 0.5768(4) 1.4376(3) 0.4042(3) 0.0359(11) Uani 1 1 d . . . . .
H26 H 0.6450 1.4566 0.4201 0.043 Uiso 1 1 calc R U . . .
C026 C 1.2986(4) 0.7905(3) 0.1000(3) 0.0352(11) Uani 1 1 d . . . . .
C29' C 0.6233(4) 0.8705(3) 0.2112(3) 0.0348(11) Uani 1 1 d . . . . .
H29' H 0.5556 0.8509 0.2252 0.042 Uiso 1 1 calc R U . . .
C22 C 0.4406(4) 1.3258(4) 0.3559(3) 0.0387(12) Uani 1 1 d . . . . .
H22 H 0.4156 1.2680 0.3369 0.046 Uiso 1 1 calc R U . . .
C14' C 0.6303(4) 0.8351(3) -0.0425(3) 0.0378(11) Uani 1 1 d . . . . .
H14A H 0.6498 0.8989 -0.0391 0.057 Uiso 1 1 calc R U . . .
H14B H 0.5612 0.8158 -0.0261 0.057 Uiso 1 1 calc R U . . .
H14C H 0.6350 0.8154 -0.0944 0.057 Uiso 1 1 calc R U . . .
C7 C 0.9580(4) 1.2130(3) 0.1883(3) 0.0398(12) Uani 1 1 d . . . . .
H7 H 1.0252 1.2058 0.1904 0.048 Uiso 1 1 calc R U . . .
C29 C 0.9202(4) 1.3632(3) 0.3315(3) 0.0408(12) Uani 1 1 d . . . . .
H29 H 0.9809 1.3459 0.3436 0.049 Uiso 1 1 calc R U . . .
C38' C 0.7674(4) 0.7602(4) 0.5032(3) 0.0415(12) Uani 1 1 d . . . . .
H38' H 0.7039 0.7143 0.4984 0.050 Uiso 1 1 calc R U . . .
C24 C 0.4133(5) 1.4677(4) 0.3862(3) 0.0524(16) Uani 1 1 d . . . . .
H24 H 0.3698 1.5071 0.3885 0.063 Uiso 1 1 calc R U . . .
C30 C 0.9223(4) 1.4328(3) 0.2861(3) 0.0403(12) Uani 1 1 d . . . . .
H30 H 0.9838 1.4625 0.2659 0.048 Uiso 1 1 calc R U . . .
C22' C 1.0933(3) 0.8962(3) 0.2288(3) 0.0350(11) Uani 1 1 d . . . . .
H22' H 1.0949 0.8396 0.2101 0.042 Uiso 1 1 calc R U . . .
C23' C 1.1764(4) 0.9642(3) 0.2220(3) 0.0412(12) Uani 1 1 d . . . . .
H23' H 1.2348 0.9533 0.1992 0.049 Uiso 1 1 calc R U . . .
C37 C 0.5982(4) 1.1034(3) 0.5693(3) 0.0411(12) Uani 1 1 d . . . . .
H37 H 0.6005 1.0434 0.5507 0.049 Uiso 1 1 calc R U . . .
C38 C 0.6897(5) 1.1523(4) 0.5919(3) 0.0476(14) Uani 1 1 d . . . . .
H38 H 0.7464 1.1218 0.5875 0.057 Uiso 1 1 calc R U . . .
C23 C 0.3770(4) 1.3834(4) 0.3619(3) 0.0484(14) Uani 1 1 d . . . . .
H23 H 0.3078 1.3640 0.3490 0.058 Uiso 1 1 calc R U . . .
C33 C 0.6374(4) 1.3102(4) 0.5574(3) 0.0422(13) Uani 1 1 d . . . . .
H33 H 0.6517 1.3675 0.5321 0.051 Uiso 1 1 calc R U . . .
C39' C 0.7554(5) 0.8428(4) 0.5419(3) 0.0515(15) Uani 1 1 d . . . . .
H39A H 0.6831 0.8391 0.5496 0.062 Uiso 1 1 calc R U . . .
H39B H 0.7888 0.8471 0.5920 0.062 Uiso 1 1 calc R U . . .
C37' C 0.8516(5) 0.7280(4) 0.5083(3) 0.0467(14) Uani 1 1 d . . . . .
H37' H 0.8388 0.6629 0.5070 0.056 Uiso 1 1 calc R U . . .
C34' C 0.9585(4) 0.8857(4) 0.4509(3) 0.0497(15) Uani 1 1 d . . . . .
H34' H 1.0144 0.9133 0.4181 0.060 Uiso 1 1 calc R U . . .
C33' C 0.8706(5) 0.9146(3) 0.4409(3) 0.0443(13) Uani 1 1 d . . . . .
H33' H 0.8743 0.9589 0.4013 0.053 Uiso 1 1 calc R U . . .
C25 C 0.5131(5) 1.4953(4) 0.4074(3) 0.0462(14) Uani 1 1 d . . . . .
H25 H 0.5383 1.5539 0.4242 0.055 Uiso 1 1 calc R U . . .
C35 C 0.4815(5) 1.2025(4) 0.6019(3) 0.0510(15) Uani 1 1 d . . . . .
H35C H 0.5018 1.2272 0.6528 0.061 Uiso 1 1 calc R U . . .
H35D H 0.4092 1.2013 0.5944 0.061 Uiso 1 1 calc R U . . .
C36 C 0.4962(5) 1.1105(4) 0.5974(4) 0.0586(17) Uani 1 1 d . . . . .
H36C H 0.4435 1.0753 0.5637 0.070 Uiso 1 1 calc R U . . .
H36D H 0.4875 1.0854 0.6478 0.070 Uiso 1 1 calc R U . . .
C36' C 0.9492(5) 0.7730(4) 0.5489(4) 0.0619(18) Uani 1 1 d . . . . .
H36A H 0.9374 0.7730 0.6034 0.074 Uiso 1 1 calc R U . . .
H36B H 0.9998 0.7379 0.5396 0.074 Uiso 1 1 calc R U . . .
C40' C 0.7961(7) 0.9225(5) 0.5020(4) 0.081(3) Uani 1 1 d . . . . .
H40A H 0.8296 0.9678 0.5391 0.097 Uiso 1 1 calc R U . . .
H40B H 0.7394 0.9431 0.4789 0.097 Uiso 1 1 calc R U . . .
C39 C 0.7019(6) 1.2194(5) 0.6548(4) 0.072(2) Uani 1 1 d . . . . .
H39C H 0.6466 1.2020 0.6901 0.086 Uiso 1 1 calc R U . . .
H39D H 0.7658 1.2208 0.6824 0.086 Uiso 1 1 calc R U . . .
C40 C 0.7019(6) 1.3084(4) 0.6280(3) 0.069(2) Uani 1 1 d . . . . .
H40C H 0.7718 1.3384 0.6180 0.082 Uiso 1 1 calc R U . . .
H40D H 0.6776 1.3418 0.6686 0.082 Uiso 1 1 calc R U . . .
C35' C 0.9912(6) 0.8622(6) 0.5279(4) 0.085(3) Uani 1 1 d . . . . .
H35A H 1.0652 0.8719 0.5298 0.102 Uiso 1 1 calc R U . . .
H35B H 0.9720 0.9023 0.5656 0.102 Uiso 1 1 calc R U . . .
C42 C 0.9699(10) 0.5289(7) 0.4880(7) 0.132(4) Uani 1 1 d . . . . .
H42A H 0.9447 0.5157 0.4357 0.158 Uiso 1 1 calc R U . . .
H42B H 1.0062 0.5906 0.4931 0.158 Uiso 1 1 calc R U . . .
O2' O 1.2369(4) 0.8417(3) -0.0211(3) 0.092(2) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1' P1' 2.3324(11) . ?
Rh1' Cl1' 2.3575(13) . ?
Rh1' C38' 2.197(5) . ?
Rh1' C37' 2.189(5) . ?
Rh1' C34' 2.120(5) . ?
Rh1' C33' 2.112(5) . ?
Rh1 P1 2.3191(11) . ?
Rh1 Cl1 2.3751(13) . ?
Rh1 C34 2.120(5) . ?
Rh1 C37 2.194(5) . ?
Rh1 C38 2.214(5) . ?
Rh1 C33 2.101(5) . ?
S1 O2 1.439(3) . ?
S1 O3 1.435(3) . ?
S1 O1 1.432(4) . ?
S1 C41' 1.820(5) . ?
P1' C16' 1.844(4) . ?
P1' C27' 1.825(4) . ?
P1' C21' 1.835(4) . ?
P1 C16 1.837(5) . ?
P1 C27 1.822(5) . ?
P1 C21 1.840(5) . ?
S1' O3' 1.416(4) . ?
S1' O1' 1.416(4) . ?
S1' C026 1.789(5) . ?
S1' O2' 1.425(5) . ?
Cl2 C42 1.924(14) . ?
F1' C026 1.338(6) . ?
F2 C41' 1.329(5) . ?
F3 C41' 1.327(5) . ?
F1 C41' 1.330(6) . ?
N1 C13 1.370(5) . ?
N1 C11 1.371(5) . ?
N1 C14 1.473(5) . ?
N1' C13' 1.367(5) . ?
N1' C11' 1.366(5) . ?
N1' C14' 1.480(5) . ?
C9' C15' 1.504(6) . ?
C9' C12' 1.404(6) . ?
C9' C10' 1.403(5) . ?
C16' C15' 1.397(6) . ?
C16' C17' 1.398(6) . ?
C15' C20' 1.395(6) . ?
F2' C026 1.326(6) . ?
C15 C9 1.496(5) . ?
C15 C20 1.393(6) . ?
C15 C16 1.405(6) . ?
C13 C12 1.433(6) . ?
C13 C8 1.424(6) . ?
C12' C13' 1.427(6) . ?
C12' C5' 1.430(6) . ?
C10 C9 1.398(6) . ?
C10 C11 1.429(6) . ?
C10 C1 1.423(6) . ?
F3' C026 1.304(5) . ?
C9 C12 1.395(5) . ?
C11 C4 1.409(6) . ?
C20' H20' 0.9500 . ?
C20' C19' 1.381(6) . ?
C32' H32' 0.9500 . ?
C32' C27' 1.393(6) . ?
C32' C31' 1.384(6) . ?
C1' H1' 0.9500 . ?
C1' C10' 1.424(6) . ?
C1' C2' 1.362(6) . ?
C27' C28' 1.404(6) . ?
C10' C11' 1.426(6) . ?
C12 C5 1.421(6) . ?
C19' H19' 0.9500 . ?
C19' C18' 1.383(6) . ?
C1 H1 0.9500 . ?
C1 C2 1.359(6) . ?
C20 H20 0.9500 . ?
C20 C19 1.386(6) . ?
C17 H17 0.9500 . ?
C17 C16 1.409(6) . ?
C17 C18 1.373(7) . ?
C13' C8' 1.398(6) . ?
C17' H17' 0.9500 . ?
C17' C18' 1.382(6) . ?
C21' C26' 1.365(6) . ?
C21' C22' 1.403(6) . ?
C11' C4' 1.422(6) . ?
C27 C32 1.400(6) . ?
C27 C28 1.399(6) . ?
C4' H4' 0.9500 . ?
C4' C3' 1.343(7) . ?
C4 H4 0.9500 . ?
C4 C3 1.360(6) . ?
C8 H8 0.9500 . ?
C8 C7 1.351(7) . ?
C2 H2 0.9500 . ?
C2 C3 1.405(6) . ?
C5 H5 0.9500 . ?
C5 C6 1.348(6) . ?
C8' H8' 0.9500 . ?
C8' C7' 1.357(6) . ?
C25' H25' 0.9500 . ?
C25' C24' 1.369(7) . ?
C25' C26' 1.391(6) . ?
C28' H28' 0.9500 . ?
C28' C29' 1.395(7) . ?
C19 H19 0.9500 . ?
C19 C18 1.387(7) . ?
C21 C26 1.373(7) . ?
C21 C22 1.401(7) . ?
C32 H32 0.9500 . ?
C32 C31 1.380(6) . ?
C31' H31' 0.9500 . ?
C31' C30' 1.393(7) . ?
C18' H18' 0.9500 . ?
C24' H24' 0.9500 . ?
C24' C23' 1.365(7) . ?
C14 H14D 0.9800 . ?
C14 H14E 0.9800 . ?
C14 H14F 0.9800 . ?
C3' H3' 0.9500 . ?
C3' C2' 1.406(7) . ?
C5' H5' 0.9500 . ?
C5' C6' 1.356(6) . ?
C26' H26' 0.9500 . ?
C18 H18 0.9500 . ?
C3 H3 0.9500 . ?
C31 H31 0.9500 . ?
C31 C30 1.388(7) . ?
C2' H2' 0.9500 . ?
C30' H30' 0.9500 . ?
C30' C29' 1.367(7) . ?
C6' H6' 0.9500 . ?
C6' C7' 1.402(7) . ?
C34 H34 1.0000 . ?
C34 C33 1.386(8) . ?
C34 C35 1.524(7) . ?
C28 H28 0.9500 . ?
C28 C29 1.385(7) . ?
C7' H7' 0.9500 . ?
C6 H6 0.9500 . ?
C6 C7 1.403(7) . ?
C26 H26 0.9500 . ?
C26 C25 1.390(7) . ?
C29' H29' 0.9500 . ?
C22 H22 0.9500 . ?
C22 C23 1.391(7) . ?
C14' H14A 0.9800 . ?
C14' H14B 0.9800 . ?
C14' H14C 0.9800 . ?
C7 H7 0.9500 . ?
C29 H29 0.9500 . ?
C29 C30 1.374(7) . ?
C38' H38' 1.0000 . ?
C38' C39' 1.500(8) . ?
C38' C37' 1.358(8) . ?
C24 H24 0.9500 . ?
C24 C23 1.367(9) . ?
C24 C25 1.380(9) . ?
C30 H30 0.9500 . ?
C22' H22' 0.9500 . ?
C22' C23' 1.389(7) . ?
C23' H23' 0.9500 . ?
C37 H37 1.0000 . ?
C37 C38 1.365(8) . ?
C37 C36 1.519(8) . ?
C38 H38 1.0000 . ?
C38 C39 1.504(9) . ?
C23 H23 0.9500 . ?
C33 H33 1.0000 . ?
C33 C40 1.529(8) . ?
C39' H39A 0.9900 . ?
C39' H39B 0.9900 . ?
C39' C40' 1.463(9) . ?
C37' H37' 1.0000 . ?
C37' C36' 1.526(9) . ?
C34' H34' 1.0000 . ?
C34' C33' 1.384(8) . ?
C34' C35' 1.515(8) . ?
C33' H33' 1.0000 . ?
C33' C40' 1.529(8) . ?
C25 H25 0.9500 . ?
C35 H35C 0.9900 . ?
C35 H35D 0.9900 . ?
C35 C36 1.505(8) . ?
C36 H36C 0.9900 . ?
C36 H36D 0.9900 . ?
C36' H36A 0.9900 . ?
C36' H36B 0.9900 . ?
C36' C35' 1.456(10) . ?
C40' H40A 0.9900 . ?
C40' H40B 0.9900 . ?
C39 H39C 0.9900 . ?
C39 H39D 0.9900 . ?
C39 C40 1.491(9) . ?
C40 H40C 0.9900 . ?
C40 H40D 0.9900 . ?
C35' H35A 0.9900 . ?
C35' H35B 0.9900 . ?
C42 C42 1.42(2) 2_766 ?
C42 H42A 0.9900 . ?
C42 H42B 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' Cl1' 89.56(4) . . ?
C38' Rh1' P1' 164.36(16) . . ?
C38' Rh1' Cl1' 88.61(14) . . ?
C37' Rh1' P1' 159.38(17) . . ?
C37' Rh1' Cl1' 88.75(16) . . ?
C37' Rh1' C38' 36.1(2) . . ?
C34' Rh1' P1' 94.87(15) . . ?
C34' Rh1' Cl1' 163.73(19) . . ?
C34' Rh1' C38' 91.2(2) . . ?
C34' Rh1' C37' 81.6(2) . . ?
C33' Rh1' P1' 95.09(14) . . ?
C33' Rh1' Cl1' 156.89(17) . . ?
C33' Rh1' C38' 80.8(2) . . ?
C33' Rh1' C37' 94.5(2) . . ?
C33' Rh1' C34' 38.2(2) . . ?
P1 Rh1 Cl1 89.74(4) . . ?
C34 Rh1 P1 93.33(14) . . ?
C34 Rh1 Cl1 164.16(15) . . ?
C34 Rh1 C37 81.60(19) . . ?
C34 Rh1 C38 90.1(2) . . ?
C37 Rh1 P1 155.30(16) . . ?
C37 Rh1 Cl1 89.14(15) . . ?
C37 Rh1 C38 36.1(2) . . ?
C38 Rh1 P1 168.59(17) . . ?
C38 Rh1 Cl1 89.96(16) . . ?
C33 Rh1 P1 94.67(14) . . ?
C33 Rh1 Cl1 156.75(17) . . ?
C33 Rh1 C34 38.3(2) . . ?
C33 Rh1 C37 96.0(2) . . ?
C33 Rh1 C38 81.3(2) . . ?
O2 S1 C41' 102.1(2) . . ?
O3 S1 O2 114.5(2) . . ?
O3 S1 C41' 103.4(2) . . ?
O1 S1 O2 115.3(2) . . ?
O1 S1 O3 115.1(2) . . ?
O1 S1 C41' 104.0(2) . . ?
C16' P1' Rh1' 110.87(13) . . ?
C27' P1' Rh1' 112.25(14) . . ?
C27' P1' C16' 111.48(19) . . ?
C27' P1' C21' 101.9(2) . . ?
C21' P1' Rh1' 118.86(14) . . ?
C21' P1' C16' 100.70(19) . . ?
C16 P1 Rh1 107.13(14) . . ?
C16 P1 C21 103.3(2) . . ?
C27 P1 Rh1 115.33(15) . . ?
C27 P1 C16 109.93(19) . . ?
C27 P1 C21 102.8(2) . . ?
C21 P1 Rh1 117.59(14) . . ?
O3' S1' C026 104.7(2) . . ?
O3' S1' O2' 113.1(3) . . ?
O1' S1' O3' 118.0(3) . . ?
O1' S1' C026 102.8(2) . . ?
O1' S1' O2' 113.4(4) . . ?
O2' S1' C026 102.6(3) . . ?
C13 N1 C11 121.5(3) . . ?
C13 N1 C14 117.8(3) . . ?
C11 N1 C14 120.7(4) . . ?
C13' N1' C14' 117.5(4) . . ?
C11' N1' C13' 122.3(4) . . ?
C11' N1' C14' 120.2(4) . . ?
C12' C9' C15' 119.6(3) . . ?
C10' C9' C15' 120.8(4) . . ?
C10' C9' C12' 119.7(4) . . ?
C15' C16' P1' 129.8(3) . . ?
C15' C16' C17' 118.1(4) . . ?
C17' C16' P1' 111.8(3) . . ?
C16' C15' C9' 124.4(4) . . ?
C20' C15' C9' 116.0(4) . . ?
C20' C15' C16' 119.6(4) . . ?
C20 C15 C9 114.7(4) . . ?
C20 C15 C16 120.0(4) . . ?
C16 C15 C9 125.3(4) . . ?
N1 C13 C12 119.7(4) . . ?
N1 C13 C8 121.1(4) . . ?
C8 C13 C12 119.2(4) . . ?
C9' C12' C13' 119.5(4) . . ?
C9' C12' C5' 122.2(4) . . ?
C13' C12' C5' 118.3(4) . . ?
C9 C10 C11 119.8(4) . . ?
C9 C10 C1 121.8(4) . . ?
C1 C10 C11 118.3(4) . . ?
C10 C9 C15 121.0(3) . . ?
C12 C9 C15 118.9(4) . . ?
C12 C9 C10 119.8(4) . . ?
N1 C11 C10 119.4(4) . . ?
N1 C11 C4 121.2(4) . . ?
C4 C11 C10 119.3(4) . . ?
C15' C20' H20' 119.4 . . ?
C19' C20' C15' 121.2(4) . . ?
C19' C20' H20' 119.4 . . ?
C27' C32' H32' 119.4 . . ?
C31' C32' H32' 119.4 . . ?
C31' C32' C27' 121.1(4) . . ?
C10' C1' H1' 119.8 . . ?
C2' C1' H1' 119.8 . . ?
C2' C1' C10' 120.4(4) . . ?
C32' C27' P1' 123.3(3) . . ?
C32' C27' C28' 118.8(4) . . ?
C28' C27' P1' 117.9(3) . . ?
C9' C10' C1' 121.1(4) . . ?
C9' C10' C11' 119.4(4) . . ?
C1' C10' C11' 119.5(4) . . ?
C9 C12 C13 119.3(4) . . ?
C9 C12 C5 122.6(4) . . ?
C5 C12 C13 118.0(4) . . ?
C20' C19' H19' 120.2 . . ?
C20' C19' C18' 119.6(4) . . ?
C18' C19' H19' 120.2 . . ?
C10 C1 H1 119.5 . . ?
C2 C1 C10 121.0(4) . . ?
C2 C1 H1 119.5 . . ?
C15 C20 H20 119.3 . . ?
C19 C20 C15 121.3(4) . . ?
C19 C20 H20 119.3 . . ?
C16 C17 H17 119.2 . . ?
C18 C17 H17 119.2 . . ?
C18 C17 C16 121.5(4) . . ?
N1' C13' C12' 119.4(4) . . ?
N1' C13' C8' 121.4(4) . . ?
C8' C13' C12' 119.1(4) . . ?
C16' C17' H17' 119.1 . . ?
C18' C17' C16' 121.9(4) . . ?
C18' C17' H17' 119.1 . . ?
C15 C16 P1 129.5(3) . . ?
C15 C16 C17 117.6(4) . . ?
C17 C16 P1 112.9(3) . . ?
C26' C21' P1' 119.4(3) . . ?
C26' C21' C22' 117.1(4) . . ?
C22' C21' P1' 123.5(3) . . ?
N1' C11' C10' 119.6(4) . . ?
N1' C11' C4' 122.5(4) . . ?
C4' C11' C10' 117.8(4) . . ?
C32 C27 P1 123.2(3) . . ?
C28 C27 P1 117.7(3) . . ?
C28 C27 C32 119.1(4) . . ?
C11' C4' H4' 119.7 . . ?
C3' C4' C11' 120.6(4) . . ?
C3' C4' H4' 119.7 . . ?
C11 C4 H4 120.1 . . ?
C3 C4 C11 119.8(4) . . ?
C3 C4 H4 120.1 . . ?
C13 C8 H8 120.2 . . ?
C7 C8 C13 119.6(4) . . ?
C7 C8 H8 120.2 . . ?
C1 C2 H2 120.2 . . ?
C1 C2 C3 119.5(4) . . ?
C3 C2 H2 120.2 . . ?
C12 C5 H5 119.6 . . ?
C6 C5 C12 120.9(4) . . ?
C6 C5 H5 119.6 . . ?
C13' C8' H8' 119.7 . . ?
C7' C8' C13' 120.7(4) . . ?
C7' C8' H8' 119.7 . . ?
C24' C25' H25' 120.2 . . ?
C24' C25' C26' 119.6(4) . . ?
C26' C25' H25' 120.2 . . ?
C27' C28' H28' 120.3 . . ?
C29' C28' C27' 119.5(4) . . ?
C29' C28' H28' 120.3 . . ?
C20 C19 H19 120.6 . . ?
C20 C19 C18 118.8(4) . . ?
C18 C19 H19 120.6 . . ?
C26 C21 P1 120.2(4) . . ?
C26 C21 C22 119.3(4) . . ?
C22 C21 P1 120.4(4) . . ?
C27 C32 H32 119.9 . . ?
C31 C32 C27 120.2(4) . . ?
C31 C32 H32 119.9 . . ?
C32' C31' H31' 120.2 . . ?
C32' C31' C30' 119.5(4) . . ?
C30' C31' H31' 120.2 . . ?
C19' C18' H18' 120.3 . . ?
C17' C18' C19' 119.5(4) . . ?
C17' C18' H18' 120.3 . . ?
C25' C24' H24' 120.3 . . ?
C23' C24' C25' 119.5(4) . . ?
C23' C24' H24' 120.3 . . ?
N1 C14 H14D 109.5 . . ?
N1 C14 H14E 109.5 . . ?
N1 C14 H14F 109.5 . . ?
H14D C14 H14E 109.5 . . ?
H14D C14 H14F 109.5 . . ?
H14E C14 H14F 109.5 . . ?
C4' C3' H3' 118.9 . . ?
C4' C3' C2' 122.1(4) . . ?
C2' C3' H3' 118.9 . . ?
C12' C5' H5' 119.7 . . ?
C6' C5' C12' 120.5(4) . . ?
C6' C5' H5' 119.7 . . ?
C21' C26' C25' 122.5(4) . . ?
C21' C26' H26' 118.8 . . ?
C25' C26' H26' 118.8 . . ?
C17 C18 C19 120.7(4) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 H18 119.7 . . ?
C4 C3 C2 122.0(4) . . ?
C4 C3 H3 119.0 . . ?
C2 C3 H3 119.0 . . ?
C32 C31 H31 119.8 . . ?
C32 C31 C30 120.3(4) . . ?
C30 C31 H31 119.8 . . ?
C1' C2' C3' 119.5(4) . . ?
C1' C2' H2' 120.3 . . ?
C3' C2' H2' 120.3 . . ?
C31' C30' H30' 120.0 . . ?
C29' C30' C31' 120.1(4) . . ?
C29' C30' H30' 120.0 . . ?
C5' C6' H6' 119.9 . . ?
C5' C6' C7' 120.1(4) . . ?
C7' C6' H6' 119.9 . . ?
Rh1 C34 H34 114.0 . . ?
C33 C34 Rh1 70.1(3) . . ?
C33 C34 H34 114.0 . . ?
C33 C34 C35 123.8(5) . . ?
C35 C34 Rh1 113.2(3) . . ?
C35 C34 H34 114.0 . . ?
C27 C28 H28 120.2 . . ?
C29 C28 C27 119.7(4) . . ?
C29 C28 H28 120.2 . . ?
C8' C7' C6' 121.2(4) . . ?
C8' C7' H7' 119.4 . . ?
C6' C7' H7' 119.4 . . ?
F2 C41' S1 111.4(3) . . ?
F2 C41' F1 106.8(4) . . ?
F3 C41' S1 111.5(3) . . ?
F3 C41' F2 108.0(4) . . ?
F3 C41' F1 107.1(4) . . ?
F1 C41' S1 111.8(3) . . ?
C5 C6 H6 119.7 . . ?
C5 C6 C7 120.6(5) . . ?
C7 C6 H6 119.7 . . ?
C21 C26 H26 119.8 . . ?
C21 C26 C25 120.4(5) . . ?
C25 C26 H26 119.8 . . ?
F1' C026 S1' 112.2(3) . . ?
F2' C026 S1' 111.9(4) . . ?
F2' C026 F1' 105.1(4) . . ?
F3' C026 S1' 113.0(4) . . ?
F3' C026 F1' 107.1(4) . . ?
F3' C026 F2' 107.0(5) . . ?
C28' C29' H29' 119.5 . . ?
C30' C29' C28' 121.0(4) . . ?
C30' C29' H29' 119.5 . . ?
C21 C22 H22 120.2 . . ?
C23 C22 C21 119.6(5) . . ?
C23 C22 H22 120.2 . . ?
N1' C14' H14A 109.5 . . ?
N1' C14' H14B 109.5 . . ?
N1' C14' H14C 109.5 . . ?
H14A C14' H14B 109.5 . . ?
H14A C14' H14C 109.5 . . ?
H14B C14' H14C 109.5 . . ?
C8 C7 C6 121.6(4) . . ?
C8 C7 H7 119.2 . . ?
C6 C7 H7 119.2 . . ?
C28 C29 H29 119.5 . . ?
C30 C29 C28 120.9(5) . . ?
C30 C29 H29 119.5 . . ?
Rh1' C38' H38' 113.9 . . ?
C39' C38' Rh1' 112.1(3) . . ?
C39' C38' H38' 113.9 . . ?
C37' C38' Rh1' 71.7(3) . . ?
C37' C38' H38' 113.9 . . ?
C37' C38' C39' 124.1(5) . . ?
C23 C24 H24 120.1 . . ?
C23 C24 C25 119.9(5) . . ?
C25 C24 H24 120.1 . . ?
C31 C30 H30 120.1 . . ?
C29 C30 C31 119.7(5) . . ?
C29 C30 H30 120.1 . . ?
C21' C22' H22' 119.8 . . ?
C23' C22' C21' 120.4(5) . . ?
C23' C22' H22' 119.8 . . ?
C24' C23' C22' 121.0(5) . . ?
C24' C23' H23' 119.5 . . ?
C22' C23' H23' 119.5 . . ?
Rh1 C37 H37 113.5 . . ?
C38 C37 Rh1 72.8(3) . . ?
C38 C37 H37 113.5 . . ?
C38 C37 C36 127.5(6) . . ?
C36 C37 Rh1 107.9(3) . . ?
C36 C37 H37 113.5 . . ?
Rh1 C38 H38 114.8 . . ?
C37 C38 Rh1 71.2(3) . . ?
C37 C38 H38 114.8 . . ?
C37 C38 C39 122.3(6) . . ?
C39 C38 Rh1 111.4(4) . . ?
C39 C38 H38 114.8 . . ?
C22 C23 H23 119.7 . . ?
C24 C23 C22 120.6(6) . . ?
C24 C23 H23 119.7 . . ?
Rh1 C33 H33 113.8 . . ?
C34 C33 Rh1 71.6(3) . . ?
C34 C33 H33 113.8 . . ?
C34 C33 C40 125.7(5) . . ?
C40 C33 Rh1 110.1(4) . . ?
C40 C33 H33 113.8 . . ?
C38' C39' H39A 108.5 . . ?
C38' C39' H39B 108.5 . . ?
H39A C39' H39B 107.5 . . ?
C40' C39' C38' 114.9(5) . . ?
C40' C39' H39A 108.5 . . ?
C40' C39' H39B 108.5 . . ?
Rh1' C37' H37' 114.3 . . ?
C38' C37' Rh1' 72.3(3) . . ?
C38' C37' H37' 114.3 . . ?
C38' C37' C36' 125.4(6) . . ?
C36' C37' Rh1' 108.1(4) . . ?
C36' C37' H37' 114.3 . . ?
Rh1' C34' H34' 114.9 . . ?
C33' C34' Rh1' 70.6(3) . . ?
C33' C34' H34' 114.9 . . ?
C33' C34' C35' 120.8(6) . . ?
C35' C34' Rh1' 113.2(4) . . ?
C35' C34' H34' 114.9 . . ?
Rh1' C33' H33' 113.7 . . ?
C34' C33' Rh1' 71.2(3) . . ?
C34' C33' H33' 113.7 . . ?
C34' C33' C40' 125.6(6) . . ?
C40' C33' Rh1' 111.4(4) . . ?
C40' C33' H33' 113.7 . . ?
C26 C25 H25 119.9 . . ?
C24 C25 C26 120.2(6) . . ?
C24 C25 H25 119.9 . . ?
C34 C35 H35C 108.8 . . ?
C34 C35 H35D 108.8 . . ?
H35C C35 H35D 107.7 . . ?
C36 C35 C34 113.7(5) . . ?
C36 C35 H35C 108.8 . . ?
C36 C35 H35D 108.8 . . ?
C37 C36 H36C 108.8 . . ?
C37 C36 H36D 108.8 . . ?
C35 C36 C37 113.7(5) . . ?
C35 C36 H36C 108.8 . . ?
C35 C36 H36D 108.8 . . ?
H36C C36 H36D 107.7 . . ?
C37' C36' H36A 108.3 . . ?
C37' C36' H36B 108.3 . . ?
H36A C36' H36B 107.4 . . ?
C35' C36' C37' 116.0(5) . . ?
C35' C36' H36A 108.3 . . ?
C35' C36' H36B 108.3 . . ?
C39' C40' C33' 115.9(5) . . ?
C39' C40' H40A 108.3 . . ?
C39' C40' H40B 108.3 . . ?
C33' C40' H40A 108.3 . . ?
C33' C40' H40B 108.3 . . ?
H40A C40' H40B 107.4 . . ?
C38 C39 H39C 109.0 . . ?
C38 C39 H39D 109.0 . . ?
H39C C39 H39D 107.8 . . ?
C40 C39 C38 112.8(5) . . ?
C40 C39 H39C 109.0 . . ?
C40 C39 H39D 109.0 . . ?
C33 C40 H40C 108.6 . . ?
C33 C40 H40D 108.6 . . ?
C39 C40 C33 114.6(5) . . ?
C39 C40 H40C 108.6 . . ?
C39 C40 H40D 108.6 . . ?
H40C C40 H40D 107.6 . . ?
C34' C35' H35A 108.5 . . ?
C34' C35' H35B 108.5 . . ?
C36' C35' C34' 114.9(6) . . ?
C36' C35' H35A 108.5 . . ?
C36' C35' H35B 108.5 . . ?
H35A C35' H35B 107.5 . . ?
Cl2 C42 H42A 112.0 . . ?
Cl2 C42 H42B 112.0 . . ?
C42 C42 Cl2 99.1(12) 2_766 . ?
C42 C42 H42A 112.0 2_766 . ?
C42 C42 H42B 112.0 2_766 . ?
H42A C42 H42B 109.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1' P1' C16' C15' 136.5(4) . . . . ?
Rh1' P1' C16' C17' -49.9(3) . . . . ?
Rh1' P1' C27' C32' 151.8(3) . . . . ?
Rh1' P1' C27' C28' -26.2(4) . . . . ?
Rh1' P1' C21' C26' -64.7(4) . . . . ?
Rh1' P1' C21' C22' 114.8(4) . . . . ?
Rh1' C38' C39' C40' 1.7(8) . . . . ?
Rh1' C38' C37' C36' 100.0(5) . . . . ?
Rh1' C37' C36' C35' 28.0(8) . . . . ?
Rh1' C34' C33' C40' 103.3(6) . . . . ?
Rh1' C34' C35' C36' 5.7(10) . . . . ?
Rh1' C33' C40' C39' 25.1(9) . . . . ?
Rh1 P1 C16 C15 -141.0(4) . . . . ?
Rh1 P1 C16 C17 38.9(3) . . . . ?
Rh1 P1 C27 C32 -154.2(3) . . . . ?
Rh1 P1 C27 C28 25.5(4) . . . . ?
Rh1 P1 C21 C26 84.6(4) . . . . ?
Rh1 P1 C21 C22 -92.5(4) . . . . ?
Rh1 C34 C33 C40 -101.9(6) . . . . ?
Rh1 C34 C35 C36 -8.6(7) . . . . ?
Rh1 C37 C38 C39 103.9(5) . . . . ?
Rh1 C37 C36 C35 -34.7(7) . . . . ?
Rh1 C38 C39 C40 -12.5(8) . . . . ?
Rh1 C33 C40 C39 -35.3(8) . . . . ?
P1' C16' C15' C9' -6.8(6) . . . . ?
P1' C16' C15' C20' 172.3(3) . . . . ?
P1' C16' C17' C18' -171.0(4) . . . . ?
P1' C27' C28' C29' 179.6(4) . . . . ?
P1' C21' C26' C25' -179.3(3) . . . . ?
P1' C21' C22' C23' -178.9(4) . . . . ?
P1 C27 C32 C31 -178.5(3) . . . . ?
P1 C27 C28 C29 177.2(4) . . . . ?
P1 C21 C26 C25 -178.2(4) . . . . ?
P1 C21 C22 C23 176.0(4) . . . . ?
O2 S1 C41' F2 -67.9(4) . . . . ?
O2 S1 C41' F3 171.4(3) . . . . ?
O2 S1 C41' F1 51.6(4) . . . . ?
O3 S1 C41' F2 172.9(3) . . . . ?
O3 S1 C41' F3 52.2(4) . . . . ?
O3 S1 C41' F1 -67.6(4) . . . . ?
N1 C13 C12 C9 -4.5(6) . . . . ?
N1 C13 C12 C5 176.6(4) . . . . ?
N1 C13 C8 C7 -178.3(4) . . . . ?
N1 C11 C4 C3 -179.4(4) . . . . ?
O1 S1 C41' F2 52.4(4) . . . . ?
O1 S1 C41' F3 -68.4(4) . . . . ?
O1 S1 C41' F1 171.8(3) . . . . ?
N1' C13' C8' C7' 179.4(4) . . . . ?
N1' C11' C4' C3' -177.9(4) . . . . ?
O3' S1' C026 F1' -176.3(4) . . . . ?
O3' S1' C026 F2' -58.4(4) . . . . ?
O3' S1' C026 F3' 62.4(5) . . . . ?
C9' C15' C20' C19' 177.2(4) . . . . ?
C9' C12' C13' N1' -1.2(6) . . . . ?
C9' C12' C13' C8' 176.9(4) . . . . ?
C9' C12' C5' C6' -177.4(4) . . . . ?
C9' C10' C11' N1' -0.9(6) . . . . ?
C9' C10' C11' C4' -179.5(4) . . . . ?
C16' P1' C27' C32' -83.2(4) . . . . ?
C16' P1' C27' C28' 98.9(4) . . . . ?
C16' P1' C21' C26' 174.1(4) . . . . ?
C16' P1' C21' C22' -6.4(4) . . . . ?
C16' C15' C20' C19' -2.0(6) . . . . ?
C16' C17' C18' C19' -2.9(7) . . . . ?
C15' C9' C12' C13' -179.0(4) . . . . ?
C15' C9' C12' C5' -0.6(6) . . . . ?
C15' C9' C10' C1' 1.7(6) . . . . ?
C15' C9' C10' C11' -180.0(4) . . . . ?
C15' C16' C17' C18' 3.5(6) . . . . ?
C15' C20' C19' C18' 2.6(6) . . . . ?
C15 C9 C12 C13 173.5(4) . . . . ?
C15 C9 C12 C5 -7.7(6) . . . . ?
C15 C20 C19 C18 -0.5(7) . . . . ?
C13 N1 C11 C10 -4.4(6) . . . . ?
C13 N1 C11 C4 175.1(4) . . . . ?
C13 C12 C5 C6 2.6(7) . . . . ?
C13 C8 C7 C6 0.9(8) . . . . ?
C12' C9' C15' C16' 102.5(5) . . . . ?
C12' C9' C15' C20' -76.7(5) . . . . ?
C12' C9' C10' C1' -179.7(4) . . . . ?
C12' C9' C10' C11' -1.4(6) . . . . ?
C12' C13' C8' C7' 1.3(7) . . . . ?
C12' C5' C6' C7' -0.2(7) . . . . ?
C10 C9 C12 C13 -0.2(6) . . . . ?
C10 C9 C12 C5 178.6(4) . . . . ?
C10 C11 C4 C3 0.1(6) . . . . ?
C10 C1 C2 C3 -0.3(7) . . . . ?
C9 C15 C20 C19 178.4(4) . . . . ?
C9 C15 C16 P1 2.9(6) . . . . ?
C9 C15 C16 C17 -176.9(4) . . . . ?
C9 C10 C11 N1 -0.5(6) . . . . ?
C9 C10 C11 C4 180.0(4) . . . . ?
C9 C10 C1 C2 -179.9(4) . . . . ?
C9 C12 C5 C6 -176.2(5) . . . . ?
C11 N1 C13 C12 6.9(6) . . . . ?
C11 N1 C13 C8 -173.7(4) . . . . ?
C11 C10 C9 C15 -170.9(4) . . . . ?
C11 C10 C9 C12 2.7(6) . . . . ?
C11 C10 C1 C2 0.2(6) . . . . ?
C11 C4 C3 C2 -0.2(7) . . . . ?
C20' C19' C18' C17' -0.2(7) . . . . ?
C32' C27' C28' C29' 1.6(7) . . . . ?
C32' C31' C30' C29' 1.5(7) . . . . ?
C1' C10' C11' N1' 177.5(4) . . . . ?
C1' C10' C11' C4' -1.2(6) . . . . ?
C27' P1' C16' C15' 10.7(4) . . . . ?
C27' P1' C16' C17' -175.7(3) . . . . ?
C27' P1' C21' C26' 59.2(4) . . . . ?
C27' P1' C21' C22' -121.3(4) . . . . ?
C27' C32' C31' C30' -1.3(7) . . . . ?
C27' C28' C29' C30' -1.4(7) . . . . ?
C10' C9' C15' C16' -78.9(5) . . . . ?
C10' C9' C15' C20' 101.9(5) . . . . ?
C10' C9' C12' C13' 2.4(6) . . . . ?
C10' C9' C12' C5' -179.2(4) . . . . ?
C10' C1' C2' C3' 0.6(7) . . . . ?
C10' C11' C4' C3' 0.8(7) . . . . ?
C12 C13 C8 C7 1.1(7) . . . . ?
C12 C5 C6 C7 -0.7(9) . . . . ?
C1 C10 C9 C15 9.2(6) . . . . ?
C1 C10 C9 C12 -177.2(4) . . . . ?
C1 C10 C11 N1 179.4(4) . . . . ?
C1 C10 C11 C4 -0.1(6) . . . . ?
C1 C2 C3 C4 0.3(7) . . . . ?
C20 C15 C9 C10 81.6(5) . . . . ?
C20 C15 C9 C12 -92.1(5) . . . . ?
C20 C15 C16 P1 -178.7(3) . . . . ?
C20 C15 C16 C17 1.4(6) . . . . ?
C20 C19 C18 C17 -0.3(7) . . . . ?
C13' N1' C11' C10' 2.2(6) . . . . ?
C13' N1' C11' C4' -179.2(4) . . . . ?
C13' C12' C5' C6' 1.0(6) . . . . ?
C13' C8' C7' C6' -0.5(7) . . . . ?
C17' C16' C15' C9' 179.9(4) . . . . ?
C17' C16' C15' C20' -1.0(6) . . . . ?
C16 P1 C27 C32 84.6(4) . . . . ?
C16 P1 C27 C28 -95.7(4) . . . . ?
C16 P1 C21 C26 -157.7(4) . . . . ?
C16 P1 C21 C22 25.2(4) . . . . ?
C16 C15 C9 C10 -100.0(5) . . . . ?
C16 C15 C9 C12 86.4(5) . . . . ?
C16 C15 C20 C19 -0.2(6) . . . . ?
C16 C17 C18 C19 1.7(7) . . . . ?
C21' P1' C16' C15' -96.8(4) . . . . ?
C21' P1' C16' C17' 76.8(3) . . . . ?
C21' P1' C27' C32' 23.5(4) . . . . ?
C21' P1' C27' C28' -154.4(3) . . . . ?
C21' C22' C23' C24' -0.9(8) . . . . ?
C11' N1' C13' C12' -1.2(6) . . . . ?
C11' N1' C13' C8' -179.2(4) . . . . ?
C11' C4' C3' C2' 0.4(8) . . . . ?
C27 P1 C16 C15 -15.0(4) . . . . ?
C27 P1 C16 C17 164.9(3) . . . . ?
C27 P1 C21 C26 -43.3(4) . . . . ?
C27 P1 C21 C22 139.6(4) . . . . ?
C27 C32 C31 C30 1.2(7) . . . . ?
C27 C28 C29 C30 1.4(8) . . . . ?
O1' S1' C026 F1' -52.5(5) . . . . ?
O1' S1' C026 F2' 65.4(5) . . . . ?
O1' S1' C026 F3' -173.8(5) . . . . ?
C4' C3' C2' C1' -1.1(8) . . . . ?
C8 C13 C12 C9 176.1(4) . . . . ?
C8 C13 C12 C5 -2.8(6) . . . . ?
C5 C6 C7 C8 -1.2(9) . . . . ?
C25' C24' C23' C22' -0.7(8) . . . . ?
C21 P1 C16 C15 94.2(4) . . . . ?
C21 P1 C16 C17 -85.9(3) . . . . ?
C21 P1 C27 C32 -24.9(4) . . . . ?
C21 P1 C27 C28 154.8(4) . . . . ?
C21 C26 C25 C24 1.7(8) . . . . ?
C21 C22 C23 C24 2.8(8) . . . . ?
C32 C27 C28 C29 -3.1(7) . . . . ?
C32 C31 C30 C29 -2.9(8) . . . . ?
C31' C32' C27' P1' -178.2(3) . . . . ?
C31' C32' C27' C28' -0.3(6) . . . . ?
C31' C30' C29' C28' -0.1(7) . . . . ?
C24' C25' C26' C21' -2.8(7) . . . . ?
C14 N1 C13 C12 -170.9(4) . . . . ?
C14 N1 C13 C8 8.5(6) . . . . ?
C14 N1 C11 C10 173.4(4) . . . . ?
C14 N1 C11 C4 -7.1(6) . . . . ?
C5' C12' C13' N1' -179.6(4) . . . . ?
C5' C12' C13' C8' -1.5(6) . . . . ?
C5' C6' C7' C8' -0.1(8) . . . . ?
C26' C21' C22' C23' 0.7(7) . . . . ?
C26' C25' C24' C23' 2.4(7) . . . . ?
C18 C17 C16 P1 177.9(4) . . . . ?
C18 C17 C16 C15 -2.2(6) . . . . ?
C2' C1' C10' C9' 178.8(4) . . . . ?
C2' C1' C10' C11' 0.5(6) . . . . ?
C34 C33 C40 C39 46.0(10) . . . . ?
C34 C35 C36 C37 29.5(8) . . . . ?
C28 C27 C32 C31 1.8(7) . . . . ?
C28 C29 C30 C31 1.6(9) . . . . ?
C26 C21 C22 C23 -1.2(7) . . . . ?
C22 C21 C26 C25 -1.0(7) . . . . ?
C14' N1' C13' C12' 178.2(4) . . . . ?
C14' N1' C13' C8' 0.1(6) . . . . ?
C14' N1' C11' C10' -177.1(4) . . . . ?
C14' N1' C11' C4' 1.5(6) . . . . ?
C38' C39' C40' C33' -17.6(10) . . . . ?
C38' C37' C36' C35' -52.8(9) . . . . ?
C22' C21' C26' C25' 1.2(7) . . . . ?
C37 C38 C39 C40 -93.1(8) . . . . ?
C38 C37 C36 C35 47.0(8) . . . . ?
C38 C39 C40 C33 31.5(10) . . . . ?
C23 C24 C25 C26 -0.1(8) . . . . ?
C33 C34 C35 C36 -89.5(7) . . . . ?
C39' C38' C37' Rh1' -104.7(5) . . . . ?
C39' C38' C37' C36' -4.7(9) . . . . ?
C37' C38' C39' C40' 83.9(8) . . . . ?
C37' C36' C35' C34' -23.1(11) . . . . ?
C34' C33' C40' C39' -56.5(10) . . . . ?
C33' C34' C35' C36' 86.2(9) . . . . ?
C25 C24 C23 C22 -2.1(9) . . . . ?
C35 C34 C33 Rh1 105.1(5) . . . . ?
C35 C34 C33 C40 3.2(9) . . . . ?
C36 C37 C38 Rh1 -99.6(5) . . . . ?
C36 C37 C38 C39 4.3(8) . . . . ?
C35' C34' C33' Rh1' -106.0(6) . . . . ?
C35' C34' C33' C40' -2.7(9) . . . . ?
O2' S1' C026 F1' 65.4(4) . . . . ?
O2' S1' C026 F2' -176.8(4) . . . . ?
O2' S1' C026 F3' -55.9(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_eli159_0ma_a
_database_code_depnum_ccdc_archive 'CCDC 2421486'
loop_
_audit_author_name
_audit_author_address
'Elishua D. Litle'
;Texas A and M University
United States of America
;
_audit_update_record             
;
2025-02-05 deposited with the CCDC.	2025-05-05 downloaded from the CCDC.
;
_audit_creation_date             2023-10-04
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H25 Cl N P Rh, C F3 O3 S'
_chemical_formula_sum            'C33 H25 Cl F3 N O3 P Rh S'
_chemical_formula_weight         741.93
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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                   27.264(4)
_cell_length_b                   9.5891(14)
_cell_length_c                   22.664(3)
_cell_angle_alpha                90
_cell_angle_beta                 93.997(6)
_cell_angle_gamma                90
_cell_volume                     5910.9(15)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9936
_cell_measurement_temperature    110.00
_cell_measurement_theta_max      30.564
_cell_measurement_theta_min      2.253
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.850
_exptl_absorpt_correction_T_max  0.1293
_exptl_absorpt_correction_T_min  0.0647
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1301 before and 0.0785 after correction.
The Ratio of minimum to maximum transmission is 0.5004.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.667
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2992
_exptl_crystal_size_max          0.202
_exptl_crystal_size_mid          0.108
_exptl_crystal_size_min          0.054
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1002
_diffrn_reflns_av_unetI/netI     0.0500
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            42195
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_min         1.801
_diffrn_ambient_temperature      110.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5940
_reflns_number_total             6778
_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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         2.907
_refine_diff_density_min         -1.589
_refine_diff_density_rms         0.197
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.157
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     398
_refine_ls_number_reflns         6778
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0704
_refine_ls_R_factor_gt           0.0629
_refine_ls_restrained_S_all      1.157
_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)+(0.0927P)²+25.9239P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1624
_refine_ls_wR_factor_ref         0.1687
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C25(H25), C20(H20), C1(H1), C28(H28), C17(H17), C22(H22), C26(H26), C5(H5),
 C30(H30), C29(H29), C2(H2), C3(H3), C23(H23), C18(H18), C7(H7), C4(H4), C6(H6),
  C8(H8), C24(H24), C32(H32), C19(H19), C31(H31)
2.b Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.55097(2) 0.58865(3) 0.20369(2) 0.01615(13) Uani 1 1 d . . . . .
Cl1 Cl 0.53899(4) 0.61618(12) 0.30436(4) 0.0240(2) Uani 1 1 d . . . . .
P1 P 0.63091(4) 0.60220(11) 0.22823(5) 0.0167(2) Uani 1 1 d . . . . .
S1 S 0.64045(4) 0.94027(12) 0.45845(5) 0.0237(2) Uani 1 1 d . . . . .
F2 F 0.65363(12) 1.1942(3) 0.50115(15) 0.0404(7) Uani 1 1 d . . . . .
F1 F 0.68693(14) 1.0334(4) 0.55553(14) 0.0493(9) Uani 1 1 d . . . . .
F3 F 0.71938(11) 1.0976(4) 0.47538(15) 0.0416(8) Uani 1 1 d . . . . .
O1 O 0.63239(14) 1.0022(4) 0.40093(15) 0.0353(8) Uani 1 1 d . . . . .
N1 N 0.47639(13) 0.4508(4) 0.07958(16) 0.0214(7) Uani 1 1 d . . . . .
O2 O 0.59870(14) 0.9244(4) 0.49293(17) 0.0389(9) Uani 1 1 d . . . . .
O3 O 0.67342(17) 0.8234(4) 0.46017(18) 0.0448(10) Uani 1 1 d . . . . .
C12 C 0.54252(16) 0.3308(5) 0.13639(19) 0.0218(8) Uani 1 1 d . . . . .
C11 C 0.50184(16) 0.5712(5) 0.07952(17) 0.0206(8) Uani 1 1 d . . . . .
C15 C 0.66113(15) 0.5012(4) 0.17403(18) 0.0192(8) Uani 1 1 d . . . . .
C25 C 0.67394(17) 0.3225(5) 0.3563(2) 0.0256(9) Uani 1 1 d . . . . .
H25 H 0.6738 0.2238 0.3599 0.031 Uiso 1 1 calc R U . . .
C20 C 0.71178(15) 0.4845(5) 0.17203(19) 0.0211(8) Uani 1 1 d . . . . .
H20 H 0.7335 0.5286 0.2008 0.025 Uiso 1 1 calc R U . . .
C1 C 0.48186(16) 0.6953(5) 0.05367(19) 0.0242(9) Uani 1 1 d . . . . .
H1 H 0.4490 0.6952 0.0366 0.029 Uiso 1 1 calc R U . . .
C16 C 0.62846(15) 0.4342(4) 0.13354(18) 0.0187(8) Uani 1 1 d . . . . .
C10 C 0.55157(15) 0.5773(4) 0.10721(17) 0.0176(8) Uani 1 1 d . . . . .
C21 C 0.65437(14) 0.5300(4) 0.29925(17) 0.0174(8) Uani 1 1 d . . . . .
C13 C 0.49396(16) 0.3323(5) 0.11093(19) 0.0218(8) Uani 1 1 d . . . . .
C9 C 0.57359(14) 0.4544(4) 0.13471(17) 0.0172(8) Uani 1 1 d . . . . .
C28 C 0.63042(16) 0.8777(5) 0.26324(19) 0.0223(8) Uani 1 1 d . . . . .
H28 H 0.6056 0.8478 0.2878 0.027 Uiso 1 1 calc R U . . .
C27 C 0.65264(14) 0.7806(4) 0.22786(17) 0.0181(8) Uani 1 1 d . . . . .
C17 C 0.64733(16) 0.3491(5) 0.08958(19) 0.0231(9) Uani 1 1 d . . . . .
H17 H 0.6257 0.3006 0.0621 0.028 Uiso 1 1 calc R U . . .
C22 C 0.67384(15) 0.6122(5) 0.34581(19) 0.0209(8) Uani 1 1 d . . . . .
H22 H 0.6733 0.7110 0.3426 0.025 Uiso 1 1 calc R U . . .
C14 C 0.42710(17) 0.4440(6) 0.0491(2) 0.0300(10) Uani 1 1 d . . . . .
H14A H 0.4029 0.4811 0.0750 0.045 Uiso 1 1 calc R U . . .
H14B H 0.4190 0.3469 0.0391 0.045 Uiso 1 1 calc R U . . .
H14C H 0.4265 0.4996 0.0127 0.045 Uiso 1 1 calc R U . . .
C26 C 0.65356(17) 0.3861(5) 0.3052(2) 0.0252(9) Uani 1 1 d . . . . .
H26 H 0.6389 0.3304 0.2741 0.030 Uiso 1 1 calc R U . . .
C5 C 0.56063(17) 0.2086(5) 0.1653(2) 0.0266(9) Uani 1 1 d . . . . .
H5 H 0.5938 0.2053 0.1810 0.032 Uiso 1 1 calc R U . . .
C30 C 0.68003(16) 1.0622(5) 0.2267(2) 0.0237(9) Uani 1 1 d . . . . .
H30 H 0.6892 1.1577 0.2262 0.028 Uiso 1 1 calc R U . . .
C29 C 0.64392(17) 1.0166(5) 0.26322(19) 0.0238(9) Uani 1 1 d . . . . .
H29 H 0.6287 1.0811 0.2880 0.029 Uiso 1 1 calc R U . . .
C2 C 0.50886(18) 0.8148(5) 0.0528(2) 0.0284(10) Uani 1 1 d . . . . .
H2 H 0.4941 0.8964 0.0357 0.034 Uiso 1 1 calc R U . . .
C3 C 0.55786(17) 0.8210(5) 0.0762(2) 0.0263(9) Uani 1 1 d . . . . .
H3 H 0.5760 0.9053 0.0748 0.032 Uiso 1 1 calc R U . . .
C23 C 0.69420(16) 0.5484(5) 0.39748(18) 0.0213(8) Uani 1 1 d . . . . .
H23 H 0.7078 0.6039 0.4293 0.026 Uiso 1 1 calc R U . . .
C18 C 0.69804(17) 0.3372(5) 0.0870(2) 0.0267(9) Uani 1 1 d . . . . .
H18 H 0.7108 0.2825 0.0567 0.032 Uiso 1 1 calc R U . . .
C7 C 0.48247(19) 0.0981(5) 0.1465(3) 0.0333(11) Uani 1 1 d . . . . .
H7 H 0.4620 0.0188 0.1501 0.040 Uiso 1 1 calc R U . . .
C4 C 0.57906(15) 0.7036(4) 0.10126(18) 0.0197(8) Uani 1 1 d . . . . .
H4 H 0.6128 0.7058 0.1150 0.024 Uiso 1 1 calc R U . . .
C6 C 0.53080(19) 0.0944(5) 0.1708(2) 0.0309(10) Uani 1 1 d . . . . .
H6 H 0.5431 0.0136 0.1911 0.037 Uiso 1 1 calc R U . . .
C8 C 0.46380(17) 0.2148(5) 0.1171(2) 0.0285(10) Uani 1 1 d . . . . .
H8 H 0.4307 0.2158 0.1011 0.034 Uiso 1 1 calc R U . . .
C24 C 0.69450(16) 0.4045(5) 0.4023(2) 0.0240(9) Uani 1 1 d . . . . .
H24 H 0.7088 0.3615 0.4371 0.029 Uiso 1 1 calc R U . . .
C32 C 0.68904(15) 0.8267(5) 0.19130(19) 0.0228(9) Uani 1 1 d . . . . .
H32 H 0.7044 0.7621 0.1667 0.027 Uiso 1 1 calc R U . . .
C19 C 0.73040(17) 0.4038(5) 0.1282(2) 0.0252(9) Uani 1 1 d . . . . .
H19 H 0.7649 0.3939 0.1261 0.030 Uiso 1 1 calc R U . . .
C33 C 0.67692(18) 1.0712(5) 0.5000(2) 0.0289(10) Uani 1 1 d . . . . .
C31 C 0.70248(16) 0.9656(5) 0.19098(19) 0.0243(9) Uani 1 1 d . . . . .
H31 H 0.7272 0.9958 0.1663 0.029 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 Cl1 2.4608(11) 2_655 ?
Rh1 Cl1 2.3422(11) . ?
Rh1 P1 2.2153(11) . ?
Rh1 C10 2.191(4) . ?
Rh1 C9 2.148(4) . ?
Cl1 Rh1 2.4609(11) 2_655 ?
P1 C15 1.808(4) . ?
P1 C21 1.827(4) . ?
P1 C27 1.810(4) . ?
S1 O1 1.435(3) . ?
S1 O2 1.433(4) . ?
S1 O3 1.435(4) . ?
S1 C33 1.823(5) . ?
F2 C33 1.341(6) . ?
F1 C33 1.319(6) . ?
F3 C33 1.344(6) . ?
N1 C11 1.347(6) . ?
N1 C13 1.406(6) . ?
N1 C14 1.469(6) . ?
C12 C13 1.407(6) . ?
C12 C9 1.459(6) . ?
C12 C5 1.415(6) . ?
C11 C1 1.418(6) . ?
C11 C10 1.455(6) . ?
C15 C20 1.394(6) . ?
C15 C16 1.391(6) . ?
C25 H25 0.9500 . ?
C25 C26 1.390(6) . ?
C25 C24 1.391(6) . ?
C20 H20 0.9500 . ?
C20 C19 1.384(6) . ?
C1 H1 0.9500 . ?
C1 C2 1.362(7) . ?
C16 C9 1.511(5) . ?
C16 C17 1.412(6) . ?
C10 C9 1.444(6) . ?
C10 C4 1.435(6) . ?
C21 C22 1.392(6) . ?
C21 C26 1.387(6) . ?
C13 C8 1.407(6) . ?
C28 H28 0.9500 . ?
C28 C27 1.395(6) . ?
C28 C29 1.382(6) . ?
C27 C32 1.408(6) . ?
C17 H17 0.9500 . ?
C17 C18 1.392(6) . ?
C22 H22 0.9500 . ?
C22 C23 1.401(6) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C26 H26 0.9500 . ?
C5 H5 0.9500 . ?
C5 C6 1.375(7) . ?
C30 H30 0.9500 . ?
C30 C29 1.400(6) . ?
C30 C31 1.399(6) . ?
C29 H29 0.9500 . ?
C2 H2 0.9500 . ?
C2 C3 1.404(7) . ?
C3 H3 0.9500 . ?
C3 C4 1.371(6) . ?
C23 H23 0.9500 . ?
C23 C24 1.384(6) . ?
C18 H18 0.9500 . ?
C18 C19 1.393(7) . ?
C7 H7 0.9500 . ?
C7 C6 1.393(7) . ?
C7 C8 1.381(7) . ?
C4 H4 0.9500 . ?
C6 H6 0.9500 . ?
C8 H8 0.9500 . ?
C24 H24 0.9500 . ?
C32 H32 0.9500 . ?
C32 C31 1.382(7) . ?
C19 H19 0.9500 . ?
C31 H31 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
Cl1 Rh1 Cl1 81.61(4) . 2_655 ?
P1 Rh1 Cl1 87.16(4) . . ?
P1 Rh1 Cl1 166.01(4) . 2_655 ?
C10 Rh1 Cl1 90.46(11) . 2_655 ?
C10 Rh1 Cl1 171.58(11) . . ?
C10 Rh1 P1 100.24(11) . . ?
C9 Rh1 Cl1 110.21(11) . 2_655 ?
C9 Rh1 Cl1 147.45(12) . . ?
C9 Rh1 P1 83.72(11) . . ?
C9 Rh1 C10 38.88(15) . . ?
Rh1 Cl1 Rh1 96.99(4) . 2_655 ?
C15 P1 Rh1 106.57(14) . . ?
C15 P1 C21 104.32(19) . . ?
C15 P1 C27 109.78(19) . . ?
C21 P1 Rh1 118.49(13) . . ?
C27 P1 Rh1 111.77(13) . . ?
C27 P1 C21 105.52(19) . . ?
O1 S1 O3 113.8(2) . . ?
O1 S1 C33 103.2(2) . . ?
O2 S1 O1 117.5(3) . . ?
O2 S1 O3 115.0(3) . . ?
O2 S1 C33 102.5(2) . . ?
O3 S1 C33 101.9(3) . . ?
C11 N1 C13 122.4(4) . . ?
C11 N1 C14 119.4(4) . . ?
C13 N1 C14 118.0(4) . . ?
C13 C12 C9 120.8(4) . . ?
C13 C12 C5 119.1(4) . . ?
C5 C12 C9 120.0(4) . . ?
N1 C11 C1 122.5(4) . . ?
N1 C11 C10 119.9(4) . . ?
C1 C11 C10 117.6(4) . . ?
C20 C15 P1 125.7(3) . . ?
C16 C15 P1 113.2(3) . . ?
C16 C15 C20 121.1(4) . . ?
C26 C25 H25 120.3 . . ?
C26 C25 C24 119.5(4) . . ?
C24 C25 H25 120.3 . . ?
C15 C20 H20 120.0 . . ?
C19 C20 C15 120.1(4) . . ?
C19 C20 H20 120.0 . . ?
C11 C1 H1 119.4 . . ?
C2 C1 C11 121.3(4) . . ?
C2 C1 H1 119.4 . . ?
C15 C16 C9 121.2(4) . . ?
C15 C16 C17 119.0(4) . . ?
C17 C16 C9 119.8(4) . . ?
C11 C10 Rh1 111.2(3) . . ?
C9 C10 Rh1 69.0(2) . . ?
C9 C10 C11 120.0(4) . . ?
C4 C10 Rh1 95.3(3) . . ?
C4 C10 C11 118.1(4) . . ?
C4 C10 C9 121.7(4) . . ?
C22 C21 P1 123.0(3) . . ?
C26 C21 P1 117.2(3) . . ?
C26 C21 C22 119.8(4) . . ?
N1 C13 C12 119.5(4) . . ?
N1 C13 C8 121.1(4) . . ?
C12 C13 C8 119.4(4) . . ?
C12 C9 Rh1 105.7(3) . . ?
C12 C9 C16 118.3(4) . . ?
C16 C9 Rh1 115.1(3) . . ?
C10 C9 Rh1 72.1(2) . . ?
C10 C9 C12 116.7(4) . . ?
C10 C9 C16 118.6(4) . . ?
C27 C28 H28 119.4 . . ?
C29 C28 H28 119.4 . . ?
C29 C28 C27 121.1(4) . . ?
C28 C27 P1 118.2(3) . . ?
C28 C27 C32 118.7(4) . . ?
C32 C27 P1 123.0(3) . . ?
C16 C17 H17 120.4 . . ?
C18 C17 C16 119.2(4) . . ?
C18 C17 H17 120.4 . . ?
C21 C22 H22 120.2 . . ?
C21 C22 C23 119.6(4) . . ?
C23 C22 H22 120.2 . . ?
N1 C14 H14A 109.5 . . ?
N1 C14 H14B 109.5 . . ?
N1 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C25 C26 H26 119.7 . . ?
C21 C26 C25 120.7(4) . . ?
C21 C26 H26 119.7 . . ?
C12 C5 H5 119.6 . . ?
C6 C5 C12 120.8(4) . . ?
C6 C5 H5 119.6 . . ?
C29 C30 H30 120.3 . . ?
C31 C30 H30 120.3 . . ?
C31 C30 C29 119.3(4) . . ?
C28 C29 C30 120.0(4) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 H29 120.0 . . ?
C1 C2 H2 119.0 . . ?
C1 C2 C3 122.1(4) . . ?
C3 C2 H2 119.0 . . ?
C2 C3 H3 120.5 . . ?
C4 C3 C2 119.0(4) . . ?
C4 C3 H3 120.5 . . ?
C22 C23 H23 120.0 . . ?
C24 C23 C22 120.0(4) . . ?
C24 C23 H23 120.0 . . ?
C17 C18 H18 119.4 . . ?
C17 C18 C19 121.3(4) . . ?
C19 C18 H18 119.4 . . ?
C6 C7 H7 119.4 . . ?
C8 C7 H7 119.4 . . ?
C8 C7 C6 121.2(4) . . ?
C10 C4 H4 119.2 . . ?
C3 C4 C10 121.6(4) . . ?
C3 C4 H4 119.2 . . ?
C5 C6 C7 119.5(5) . . ?
C5 C6 H6 120.2 . . ?
C7 C6 H6 120.2 . . ?
C13 C8 H8 120.0 . . ?
C7 C8 C13 119.9(4) . . ?
C7 C8 H8 120.0 . . ?
C25 C24 H24 119.8 . . ?
C23 C24 C25 120.4(4) . . ?
C23 C24 H24 119.8 . . ?
C27 C32 H32 119.9 . . ?
C31 C32 C27 120.3(4) . . ?
C31 C32 H32 119.9 . . ?
C20 C19 C18 119.3(4) . . ?
C20 C19 H19 120.3 . . ?
C18 C19 H19 120.3 . . ?
F2 C33 S1 111.9(3) . . ?
F2 C33 F3 105.3(4) . . ?
F1 C33 S1 111.9(4) . . ?
F1 C33 F2 106.9(4) . . ?
F1 C33 F3 108.7(4) . . ?
F3 C33 S1 111.7(3) . . ?
C30 C31 H31 119.7 . . ?
C32 C31 C30 120.5(4) . . ?
C32 C31 H31 119.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 P1 C15 C20 178.4(3) . . . . ?
Rh1 P1 C15 C16 -3.7(3) . . . . ?
Rh1 P1 C21 C22 -112.3(3) . . . . ?
Rh1 P1 C21 C26 69.5(4) . . . . ?
Rh1 P1 C27 C28 56.5(4) . . . . ?
Rh1 P1 C27 C32 -120.1(3) . . . . ?
Rh1 C10 C9 C12 99.0(3) . . . . ?
Rh1 C10 C9 C16 -109.4(3) . . . . ?
Rh1 C10 C4 C3 -110.1(4) . . . . ?
P1 C15 C20 C19 179.8(3) . . . . ?
P1 C15 C16 C9 3.3(5) . . . . ?
P1 C15 C16 C17 -178.6(3) . . . . ?
P1 C21 C22 C23 -175.6(3) . . . . ?
P1 C21 C26 C25 175.4(4) . . . . ?
P1 C27 C32 C31 177.0(3) . . . . ?
O1 S1 C33 F2 58.3(4) . . . . ?
O1 S1 C33 F1 178.3(4) . . . . ?
O1 S1 C33 F3 -59.6(4) . . . . ?
N1 C11 C1 C2 -178.2(4) . . . . ?
N1 C11 C10 Rh1 -77.3(4) . . . . ?
N1 C11 C10 C9 0.0(6) . . . . ?
N1 C11 C10 C4 174.2(4) . . . . ?
N1 C13 C8 C7 177.9(4) . . . . ?
O2 S1 C33 F2 -64.3(4) . . . . ?
O2 S1 C33 F1 55.7(4) . . . . ?
O2 S1 C33 F3 177.9(4) . . . . ?
O3 S1 C33 F2 176.5(3) . . . . ?
O3 S1 C33 F1 -63.5(4) . . . . ?
O3 S1 C33 F3 58.6(4) . . . . ?
C12 C13 C8 C7 -1.9(7) . . . . ?
C12 C5 C6 C7 1.5(8) . . . . ?
C11 N1 C13 C12 -9.3(6) . . . . ?
C11 N1 C13 C8 170.9(4) . . . . ?
C11 C1 C2 C3 1.2(7) . . . . ?
C11 C10 C9 Rh1 -103.0(3) . . . . ?
C11 C10 C9 C12 -4.0(5) . . . . ?
C11 C10 C9 C16 147.6(4) . . . . ?
C11 C10 C4 C3 7.3(6) . . . . ?
C15 P1 C21 C22 129.4(3) . . . . ?
C15 P1 C21 C26 -48.7(4) . . . . ?
C15 P1 C27 C28 174.6(3) . . . . ?
C15 P1 C27 C32 -2.0(4) . . . . ?
C15 C20 C19 C18 -1.4(7) . . . . ?
C15 C16 C9 Rh1 -1.2(5) . . . . ?
C15 C16 C9 C12 -127.5(4) . . . . ?
C15 C16 C9 C10 81.4(5) . . . . ?
C15 C16 C17 C18 -1.5(6) . . . . ?
C20 C15 C16 C9 -178.7(4) . . . . ?
C20 C15 C16 C17 -0.5(6) . . . . ?
C1 C11 C10 Rh1 102.2(4) . . . . ?
C1 C11 C10 C9 179.4(4) . . . . ?
C1 C11 C10 C4 -6.4(5) . . . . ?
C1 C2 C3 C4 -0.6(7) . . . . ?
C16 C15 C20 C19 2.0(7) . . . . ?
C16 C17 C18 C19 2.1(7) . . . . ?
C10 C11 C1 C2 2.4(6) . . . . ?
C21 P1 C15 C20 -55.5(4) . . . . ?
C21 P1 C15 C16 122.5(3) . . . . ?
C21 P1 C27 C28 -73.5(4) . . . . ?
C21 P1 C27 C32 109.8(4) . . . . ?
C21 C22 C23 C24 -0.6(6) . . . . ?
C13 N1 C11 C1 -172.6(4) . . . . ?
C13 N1 C11 C10 6.8(6) . . . . ?
C13 C12 C9 Rh1 79.1(4) . . . . ?
C13 C12 C9 C16 -150.2(4) . . . . ?
C13 C12 C9 C10 1.5(6) . . . . ?
C13 C12 C5 C6 -2.8(7) . . . . ?
C9 C12 C13 N1 4.9(6) . . . . ?
C9 C12 C13 C8 -175.3(4) . . . . ?
C9 C12 C5 C6 175.5(4) . . . . ?
C9 C16 C17 C18 176.6(4) . . . . ?
C9 C10 C4 C3 -178.7(4) . . . . ?
C28 C27 C32 C31 0.4(6) . . . . ?
C27 P1 C15 C20 57.2(4) . . . . ?
C27 P1 C15 C16 -124.9(3) . . . . ?
C27 P1 C21 C22 13.7(4) . . . . ?
C27 P1 C21 C26 -164.4(3) . . . . ?
C27 C28 C29 C30 0.8(7) . . . . ?
C27 C32 C31 C30 -0.3(7) . . . . ?
C17 C16 C9 Rh1 -179.3(3) . . . . ?
C17 C16 C9 C12 54.3(5) . . . . ?
C17 C16 C9 C10 -96.8(5) . . . . ?
C17 C18 C19 C20 -0.6(7) . . . . ?
C22 C21 C26 C25 -2.8(7) . . . . ?
C22 C23 C24 C25 -1.1(7) . . . . ?
C14 N1 C11 C1 3.5(6) . . . . ?
C14 N1 C11 C10 -177.1(4) . . . . ?
C14 N1 C13 C12 174.6(4) . . . . ?
C14 N1 C13 C8 -5.2(6) . . . . ?
C26 C25 C24 C23 0.8(7) . . . . ?
C26 C21 C22 C23 2.5(6) . . . . ?
C5 C12 C13 N1 -176.8(4) . . . . ?
C5 C12 C13 C8 2.9(6) . . . . ?
C5 C12 C9 Rh1 -99.2(4) . . . . ?
C5 C12 C9 C16 31.6(6) . . . . ?
C5 C12 C9 C10 -176.8(4) . . . . ?
C29 C28 C27 P1 -177.4(3) . . . . ?
C29 C28 C27 C32 -0.6(6) . . . . ?
C29 C30 C31 C32 0.4(7) . . . . ?
C2 C3 C4 C10 -3.8(6) . . . . ?
C4 C10 C9 Rh1 83.1(3) . . . . ?
C4 C10 C9 C12 -177.9(4) . . . . ?
C4 C10 C9 C16 -26.3(5) . . . . ?
C6 C7 C8 C13 0.6(8) . . . . ?
C8 C7 C6 C5 -0.4(8) . . . . ?
C24 C25 C26 C21 1.2(7) . . . . ?
C31 C30 C29 C28 -0.7(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_vrf_PLAT971_eli159_0ma_a        
;
PROBLEM: Check Calcd Resid. Dens.  0.94Ang From Rh01            2.97 eA-3  
RESPONSE: Risidual electron density is located aound around a heavy metal 
;
####################################################################### 
# 
# 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_eli153_0ma_a
_database_code_depnum_ccdc_archive 'CCDC 2421485'
loop_
_audit_author_name
_audit_author_address
'Elishua D. Litle'
;Texas A and M University
United States of America
;
_audit_update_record             
;
2025-02-05 deposited with the CCDC.	2025-05-05 downloaded from the CCDC.
;
_audit_creation_date             2023-10-04
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C36 H31 Cl N3 P Rh, C F3 O3 S, C4 H10 O'
_chemical_formula_sum            'C41 H41 Cl F3 N3 O4 P Rh S'
_chemical_formula_weight         898.16
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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                   13.0560(9)
_cell_length_b                   12.3746(9)
_cell_length_c                   25.291(2)
_cell_angle_alpha                90
_cell_angle_beta                 102.588(2)
_cell_angle_gamma                90
_cell_volume                     3987.9(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9788
_cell_measurement_temperature    110.00
_cell_measurement_theta_max      29.916
_cell_measurement_theta_min      2.293
_shelx_estimated_absorpt_T_max   0.917
_shelx_estimated_absorpt_T_min   0.881
_exptl_absorpt_coefficient_mu    0.647
_exptl_absorpt_correction_T_max  0.3812
_exptl_absorpt_correction_T_min  0.3468
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0768 before and 0.0646 after correction.
The Ratio of minimum to maximum transmission is 0.9098.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.496
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1840
_exptl_crystal_size_max          0.201
_exptl_crystal_size_mid          0.188
_exptl_crystal_size_min          0.136
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0758
_diffrn_reflns_av_unetI/netI     0.0346
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            110569
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.489
_diffrn_reflns_theta_min         1.841
_diffrn_ambient_temperature      110.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7298
_reflns_number_total             9134
_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       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 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 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         2.153
_refine_diff_density_min         -1.069
_refine_diff_density_rms         0.142
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.144
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     501
_refine_ls_number_reflns         9134
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0977
_refine_ls_R_factor_gt           0.0782
_refine_ls_restrained_S_all      1.144
_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)+(0.0496P)²+37.7850P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1925
_refine_ls_wR_factor_ref         0.2049
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C38(H38A,H38B), C40(H40A,H40B)
2.b Aromatic/amide H refined with riding coordinates:
 C28(H28), C20(H20), C5(H5), C1(H1), C19(H19), C2(H2), C3(H3), C4(H4), C6(H6),
 C17(H17), C32(H32), C29(H29), C18(H18), C31(H31), C22(H22), C23(H23), C7(H7),
 C26(H26), C30(H30), C8(H8), C24(H24), C25(H25)
2.c Idealised Me refined as rotating group:
 C36(H36A,H36B,H36C), C34(H34A,H34B,H34C), C14(H14A,H14B,H14C), C39(H39A,H39B,
 H39C), C41(H41A,H41B,H41C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.47526(4) 0.44820(4) 0.42823(2) 0.02703(14) Uani 1 1 d . . . . .
Cl1 Cl 0.48560(12) 0.62480(13) 0.47366(6) 0.0314(3) Uani 1 1 d . . . . .
P1 P 0.48127(14) 0.28391(14) 0.39279(7) 0.0315(4) Uani 1 1 d . . . . .
S1 S 0.52094(16) 0.23951(18) 0.07772(9) 0.0512(5) Uani 1 1 d . . . . .
N2 N 0.6304(4) 0.4576(4) 0.43156(18) 0.0241(10) Uani 1 1 d . . . . .
N3 N 0.3202(4) 0.4437(4) 0.42823(18) 0.0251(10) Uani 1 1 d . . . . .
F2 F 0.5504(5) 0.3886(5) 0.0108(3) 0.0840(19) Uani 1 1 d . . . . .
O1 O 0.5842(5) 0.1896(5) 0.1232(2) 0.0556(15) Uani 1 1 d . . . . .
N1 N 0.3315(5) 0.6885(5) 0.3541(2) 0.0415(14) Uani 1 1 d . . . . .
C12 C 0.3292(5) 0.5065(6) 0.3213(2) 0.0303(13) Uani 1 1 d . . . . .
C9 C 0.4446(5) 0.5014(5) 0.3420(2) 0.0281(12) Uani 1 1 d . . . . .
C28 C 0.3073(6) 0.1963(6) 0.4234(3) 0.0380(15) Uani 1 1 d . . . . .
H28 H 0.3307 0.2351 0.4562 0.046 Uiso 1 1 calc R U . . .
C10 C 0.4944(5) 0.6091(6) 0.3442(2) 0.0344(14) Uani 1 1 d . . . . .
F1 F 0.6540(5) 0.3969(5) 0.0899(3) 0.089(2) Uani 1 1 d . . . . .
C20 C 0.5085(5) 0.4421(7) 0.2590(3) 0.0393(15) Uani 1 1 d . . . . .
H20 H 0.4942 0.5132 0.2453 0.047 Uiso 1 1 calc R U . . .
C35 C 0.2353(5) 0.4413(5) 0.4277(2) 0.0315(13) Uani 1 1 d . . . . .
C13 C 0.2749(5) 0.6002(6) 0.3299(3) 0.0352(14) Uani 1 1 d . . . . .
C27 C 0.3629(6) 0.2019(6) 0.3824(3) 0.0351(14) Uani 1 1 d . . . . .
C15 C 0.4933(5) 0.4172(6) 0.3102(2) 0.0337(14) Uani 1 1 d . . . . .
C33 C 0.7159(5) 0.4612(5) 0.4349(2) 0.0325(14) Uani 1 1 d . . . . .
F3 F 0.6795(5) 0.2689(7) 0.0355(3) 0.104(3) Uani 1 1 d . . . . .
C5 C 0.5989(5) 0.6241(7) 0.3406(3) 0.0405(16) Uani 1 1 d . . . . .
H5 H 0.6390 0.5636 0.3340 0.049 Uiso 1 1 calc R U . . .
C1 C 0.2705(5) 0.4195(6) 0.2944(3) 0.0368(15) Uani 1 1 d . . . . .
H1 H 0.3062 0.3567 0.2865 0.044 Uiso 1 1 calc R U . . .
C11 C 0.4352(6) 0.7018(6) 0.3518(3) 0.0387(15) Uani 1 1 d . . . . .
C19 C 0.5442(6) 0.3646(7) 0.2273(3) 0.0467(19) Uani 1 1 d . . . . .
H19 H 0.5543 0.3834 0.1924 0.056 Uiso 1 1 calc R U . . .
C2 C 0.1615(6) 0.4232(7) 0.2789(3) 0.0455(18) Uani 1 1 d . . . . .
H2 H 0.1228 0.3627 0.2620 0.055 Uiso 1 1 calc R U . . .
C16 C 0.5123(5) 0.3116(6) 0.3282(3) 0.0330(14) Uani 1 1 d . . . . .
O4 O 0.8797(6) 0.3206(7) 0.3376(3) 0.085(2) Uani 1 1 d . . . . .
C3 C 0.1110(6) 0.5160(7) 0.2885(3) 0.049(2) Uani 1 1 d . . . . .
H3 H 0.0367 0.5194 0.2778 0.059 Uiso 1 1 calc R U . . .
C4 C 0.1647(6) 0.6040(7) 0.3132(3) 0.0458(18) Uani 1 1 d . . . . .
H4 H 0.1277 0.6674 0.3191 0.055 Uiso 1 1 calc R U . . .
C21 C 0.5856(6) 0.1982(6) 0.4297(3) 0.0433(17) Uani 1 1 d . . . . .
C36 C 0.1225(5) 0.4361(6) 0.4264(3) 0.0397(15) Uani 1 1 d . . . . .
H36A H 0.0854 0.4074 0.3913 0.059 Uiso 1 1 calc R U . . .
H36B H 0.0963 0.5087 0.4315 0.059 Uiso 1 1 calc R U . . .
H36C H 0.1105 0.3885 0.4554 0.059 Uiso 1 1 calc R U . . .
C34 C 0.8297(6) 0.4628(7) 0.4366(3) 0.0448(17) Uani 1 1 d . . . . .
H34A H 0.8431 0.4286 0.4038 0.067 Uiso 1 1 calc R U . . .
H34B H 0.8671 0.4232 0.4685 0.067 Uiso 1 1 calc R U . . .
H34C H 0.8545 0.5378 0.4385 0.067 Uiso 1 1 calc R U . . .
O2 O 0.4756(8) 0.1765(6) 0.0341(3) 0.109(3) Uani 1 1 d . . . . .
O3 O 0.4487(6) 0.3222(10) 0.0942(3) 0.112(4) Uani 1 1 d . . . . .
C6 C 0.6453(7) 0.7256(7) 0.3466(3) 0.053(2) Uani 1 1 d . . . . .
H6 H 0.7166 0.7338 0.3445 0.064 Uiso 1 1 calc R U . . .
C17 C 0.5495(6) 0.2334(6) 0.2969(3) 0.0429(17) Uani 1 1 d . . . . .
H17 H 0.5639 0.1621 0.3104 0.051 Uiso 1 1 calc R U . . .
C32 C 0.3290(6) 0.1437(6) 0.3349(3) 0.0411(16) Uani 1 1 d . . . . .
H32 H 0.3668 0.1473 0.3068 0.049 Uiso 1 1 calc R U . . .
C29 C 0.2182(6) 0.1340(7) 0.4159(3) 0.0448(17) Uani 1 1 d . . . . .
H29 H 0.1784 0.1319 0.4432 0.054 Uiso 1 1 calc R U . . .
C18 C 0.5650(6) 0.2606(7) 0.2466(3) 0.049(2) Uani 1 1 d . . . . .
H18 H 0.5898 0.2080 0.2250 0.058 Uiso 1 1 calc R U . . .
C31 C 0.2392(7) 0.0801(7) 0.3285(3) 0.0510(19) Uani 1 1 d . . . . .
H31 H 0.2151 0.0407 0.2959 0.061 Uiso 1 1 calc R U . . .
C22 C 0.5690(6) 0.1304(6) 0.4698(3) 0.0463(18) Uani 1 1 d . . . . .
H22 H 0.5003 0.1225 0.4762 0.056 Uiso 1 1 calc R U . . .
C23 C 0.6515(7) 0.0734(7) 0.5009(4) 0.055(2) Uani 1 1 d . . . . .
H23 H 0.6384 0.0246 0.5277 0.066 Uiso 1 1 calc R U . . .
C7 C 0.5882(7) 0.8137(8) 0.3555(4) 0.059(2) Uani 1 1 d . . . . .
H7 H 0.6208 0.8826 0.3607 0.071 Uiso 1 1 calc R U . . .
C26 C 0.6877(7) 0.2104(7) 0.4212(4) 0.052(2) Uani 1 1 d . . . . .
H26 H 0.7011 0.2573 0.3938 0.063 Uiso 1 1 calc R U . . .
C14 C 0.2760(8) 0.7794(8) 0.3737(4) 0.066(3) Uani 1 1 d . . . . .
H14A H 0.2525 0.8309 0.3441 0.099 Uiso 1 1 calc R U . . .
H14B H 0.3237 0.8158 0.4037 0.099 Uiso 1 1 calc R U . . .
H14C H 0.2151 0.7517 0.3862 0.099 Uiso 1 1 calc R U . . .
C30 C 0.1858(7) 0.0746(7) 0.3692(3) 0.0508(19) Uani 1 1 d . . . . .
H30 H 0.1259 0.0293 0.3654 0.061 Uiso 1 1 calc R U . . .
C8 C 0.4831(7) 0.8033(7) 0.3570(3) 0.052(2) Uani 1 1 d . . . . .
H8 H 0.4435 0.8657 0.3615 0.063 Uiso 1 1 calc R U . . .
C24 C 0.7505(7) 0.0861(8) 0.4940(4) 0.062(2) Uani 1 1 d . . . . .
H24 H 0.8067 0.0490 0.5170 0.074 Uiso 1 1 calc R U . . .
C25 C 0.7701(7) 0.1517(8) 0.4541(5) 0.066(3) Uani 1 1 d . . . . .
H25 H 0.8394 0.1580 0.4484 0.079 Uiso 1 1 calc R U . . .
C37 C 0.6052(9) 0.3292(9) 0.0542(4) 0.070(3) Uani 1 1 d . . . . .
C38 C 0.8633(8) 0.3499(11) 0.2846(5) 0.079(3) Uani 1 1 d . . . . .
H38A H 0.8152 0.2979 0.2619 0.095 Uiso 1 1 calc R U . . .
H38B H 0.9307 0.3498 0.2726 0.095 Uiso 1 1 calc R U . . .
C39 C 0.8151(8) 0.4636(11) 0.2785(5) 0.085(3) Uani 1 1 d . . . . .
H39A H 0.8016 0.4854 0.2403 0.127 Uiso 1 1 calc R U . . .
H39B H 0.8640 0.5148 0.3004 0.127 Uiso 1 1 calc R U . . .
H39C H 0.7490 0.4632 0.2908 0.127 Uiso 1 1 calc R U . . .
C40 C 0.9378(10) 0.2178(9) 0.3490(6) 0.093(4) Uani 1 1 d . . . . .
H40A H 0.9998 0.2201 0.3324 0.112 Uiso 1 1 calc R U . . .
H40B H 0.9636 0.2103 0.3887 0.112 Uiso 1 1 calc R U . . .
C41 C 0.8756(14) 0.1253(13) 0.3290(8) 0.143(7) Uani 1 1 d . . . . .
H41A H 0.8470 0.1337 0.2901 0.215 Uiso 1 1 calc R U . . .
H41B H 0.8179 0.1185 0.3479 0.215 Uiso 1 1 calc R U . . .
H41C H 0.9194 0.0602 0.3353 0.215 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 Cl1 2.5847(15) 3_666 ?
Rh1 Cl1 2.4590(16) . ?
Rh1 P1 2.2301(17) . ?
Rh1 N2 2.012(5) . ?
Rh1 N3 2.025(5) . ?
Rh1 C9 2.228(6) . ?
Cl1 Rh1 2.5847(15) 3_666 ?
P1 C27 1.819(7) . ?
P1 C16 1.799(7) . ?
P1 C21 1.815(7) . ?
S1 O1 1.405(6) . ?
S1 O2 1.374(7) . ?
S1 O3 1.511(9) . ?
S1 C37 1.755(11) . ?
N2 C33 1.102(8) . ?
N3 C35 1.106(8) . ?
F2 C37 1.384(11) . ?
N1 C13 1.385(9) . ?
N1 C11 1.377(9) . ?
N1 C14 1.481(10) . ?
C12 C9 1.484(8) . ?
C12 C13 1.401(10) . ?
C12 C1 1.408(10) . ?
C9 C10 1.479(10) . ?
C9 C15 1.538(9) . ?
C28 H28 0.9500 . ?
C28 C27 1.392(9) . ?
C28 C29 1.374(11) . ?
C10 C5 1.399(10) . ?
C10 C11 1.421(10) . ?
F1 C37 1.293(12) . ?
C20 H20 0.9500 . ?
C20 C15 1.386(9) . ?
C20 C19 1.393(10) . ?
C35 C36 1.467(9) . ?
C13 C4 1.410(9) . ?
C27 C32 1.388(9) . ?
C15 C16 1.388(10) . ?
C33 C34 1.478(10) . ?
F3 C37 1.386(12) . ?
C5 H5 0.9500 . ?
C5 C6 1.388(11) . ?
C1 H1 0.9500 . ?
C1 C2 1.392(10) . ?
C11 C8 1.397(11) . ?
C19 H19 0.9500 . ?
C19 C18 1.382(12) . ?
C2 H2 0.9500 . ?
C2 C3 1.372(12) . ?
C16 C17 1.404(9) . ?
O4 C38 1.361(13) . ?
O4 C40 1.477(14) . ?
C3 H3 0.9500 . ?
C3 C4 1.369(12) . ?
C4 H4 0.9500 . ?
C21 C22 1.370(11) . ?
C21 C26 1.404(11) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C6 H6 0.9500 . ?
C6 C7 1.366(13) . ?
C17 H17 0.9500 . ?
C17 C18 1.372(10) . ?
C32 H32 0.9500 . ?
C32 C31 1.391(11) . ?
C29 H29 0.9500 . ?
C29 C30 1.376(11) . ?
C18 H18 0.9500 . ?
C31 H31 0.9500 . ?
C31 C30 1.366(11) . ?
C22 H22 0.9500 . ?
C22 C23 1.381(11) . ?
C23 H23 0.9500 . ?
C23 C24 1.352(13) . ?
C7 H7 0.9500 . ?
C7 C8 1.386(12) . ?
C26 H26 0.9500 . ?
C26 C25 1.408(12) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C30 H30 0.9500 . ?
C8 H8 0.9500 . ?
C24 H24 0.9500 . ?
C24 C25 1.361(14) . ?
C25 H25 0.9500 . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C38 C39 1.536(17) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C40 C41 1.431(18) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl1 Rh1 Cl1 83.27(6) . 3_666 ?
P1 Rh1 Cl1 174.17(6) . . ?
P1 Rh1 Cl1 92.89(6) . 3_666 ?
N2 Rh1 Cl1 88.69(14) . . ?
N2 Rh1 Cl1 89.62(13) . 3_666 ?
N2 Rh1 P1 86.90(15) . . ?
N2 Rh1 N3 177.11(19) . . ?
N2 Rh1 C9 89.3(2) . . ?
N3 Rh1 Cl1 88.73(15) . . ?
N3 Rh1 Cl1 88.79(13) . 3_666 ?
N3 Rh1 P1 95.59(15) . . ?
N3 Rh1 C9 92.4(2) . . ?
C9 Rh1 Cl1 100.05(18) . . ?
C9 Rh1 Cl1 176.50(17) . 3_666 ?
C9 Rh1 P1 83.71(18) . . ?
Rh1 Cl1 Rh1 96.73(6) . 3_666 ?
C27 P1 Rh1 117.6(2) . . ?
C16 P1 Rh1 103.0(2) . . ?
C16 P1 C27 109.1(3) . . ?
C16 P1 C21 106.6(3) . . ?
C21 P1 Rh1 114.5(3) . . ?
C21 P1 C27 105.5(4) . . ?
O1 S1 O3 111.3(4) . . ?
O1 S1 C37 104.8(4) . . ?
O2 S1 O1 118.8(5) . . ?
O2 S1 O3 114.9(6) . . ?
O2 S1 C37 106.2(6) . . ?
O3 S1 C37 98.1(6) . . ?
C33 N2 Rh1 177.8(5) . . ?
C35 N3 Rh1 179.3(5) . . ?
C13 N1 C14 119.6(7) . . ?
C11 N1 C13 120.7(6) . . ?
C11 N1 C14 118.7(7) . . ?
C13 C12 C9 119.3(6) . . ?
C13 C12 C1 117.8(6) . . ?
C1 C12 C9 122.8(6) . . ?
C12 C9 Rh1 108.0(4) . . ?
C12 C9 C15 110.4(5) . . ?
C10 C9 Rh1 104.3(4) . . ?
C10 C9 C12 112.3(6) . . ?
C10 C9 C15 113.6(5) . . ?
C15 C9 Rh1 107.8(4) . . ?
C27 C28 H28 120.4 . . ?
C29 C28 H28 120.4 . . ?
C29 C28 C27 119.2(7) . . ?
C5 C10 C9 123.0(6) . . ?
C5 C10 C11 118.0(7) . . ?
C11 C10 C9 119.0(6) . . ?
C15 C20 H20 119.4 . . ?
C15 C20 C19 121.2(8) . . ?
C19 C20 H20 119.4 . . ?
N3 C35 C36 178.7(7) . . ?
N1 C13 C12 118.8(6) . . ?
N1 C13 C4 121.2(7) . . ?
C12 C13 C4 120.0(7) . . ?
C28 C27 P1 119.0(5) . . ?
C32 C27 P1 121.1(5) . . ?
C32 C27 C28 119.9(7) . . ?
C20 C15 C9 119.9(6) . . ?
C20 C15 C16 117.7(6) . . ?
C16 C15 C9 122.0(6) . . ?
N2 C33 C34 176.9(7) . . ?
C10 C5 H5 119.3 . . ?
C6 C5 C10 121.4(8) . . ?
C6 C5 H5 119.3 . . ?
C12 C1 H1 119.1 . . ?
C2 C1 C12 121.8(7) . . ?
C2 C1 H1 119.1 . . ?
N1 C11 C10 118.6(7) . . ?
N1 C11 C8 121.9(7) . . ?
C8 C11 C10 119.5(7) . . ?
C20 C19 H19 119.9 . . ?
C18 C19 C20 120.2(7) . . ?
C18 C19 H19 119.9 . . ?
C1 C2 H2 120.7 . . ?
C3 C2 C1 118.6(7) . . ?
C3 C2 H2 120.7 . . ?
C15 C16 P1 114.8(5) . . ?
C15 C16 C17 121.5(6) . . ?
C17 C16 P1 123.8(6) . . ?
C38 O4 C40 112.6(9) . . ?
C2 C3 H3 119.0 . . ?
C4 C3 C2 121.9(7) . . ?
C4 C3 H3 119.0 . . ?
C13 C4 H4 120.1 . . ?
C3 C4 C13 119.9(8) . . ?
C3 C4 H4 120.1 . . ?
C22 C21 P1 121.1(6) . . ?
C22 C21 C26 119.2(7) . . ?
C26 C21 P1 119.4(6) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C5 C6 H6 120.0 . . ?
C7 C6 C5 119.9(8) . . ?
C7 C6 H6 120.0 . . ?
C16 C17 H17 120.2 . . ?
C18 C17 C16 119.6(8) . . ?
C18 C17 H17 120.2 . . ?
C27 C32 H32 120.1 . . ?
C27 C32 C31 119.7(7) . . ?
C31 C32 H32 120.1 . . ?
C28 C29 H29 119.6 . . ?
C28 C29 C30 120.7(7) . . ?
C30 C29 H29 119.6 . . ?
C19 C18 H18 120.1 . . ?
C17 C18 C19 119.8(7) . . ?
C17 C18 H18 120.1 . . ?
C32 C31 H31 120.1 . . ?
C30 C31 C32 119.8(8) . . ?
C30 C31 H31 120.1 . . ?
C21 C22 H22 119.8 . . ?
C21 C22 C23 120.4(8) . . ?
C23 C22 H22 119.8 . . ?
C22 C23 H23 119.5 . . ?
C24 C23 C22 121.0(9) . . ?
C24 C23 H23 119.5 . . ?
C6 C7 H7 119.7 . . ?
C6 C7 C8 120.6(8) . . ?
C8 C7 H7 119.7 . . ?
C21 C26 H26 120.6 . . ?
C21 C26 C25 118.9(8) . . ?
C25 C26 H26 120.6 . . ?
N1 C14 H14A 109.5 . . ?
N1 C14 H14B 109.5 . . ?
N1 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C29 C30 H30 119.7 . . ?
C31 C30 C29 120.5(8) . . ?
C31 C30 H30 119.7 . . ?
C11 C8 H8 119.8 . . ?
C7 C8 C11 120.5(8) . . ?
C7 C8 H8 119.8 . . ?
C23 C24 H24 119.8 . . ?
C23 C24 C25 120.3(9) . . ?
C25 C24 H24 119.8 . . ?
C26 C25 H25 119.9 . . ?
C24 C25 C26 120.2(9) . . ?
C24 C25 H25 119.9 . . ?
F2 C37 S1 110.6(8) . . ?
F2 C37 F3 107.1(8) . . ?
F1 C37 S1 115.1(7) . . ?
F1 C37 F2 107.5(9) . . ?
F1 C37 F3 108.1(10) . . ?
F3 C37 S1 108.2(8) . . ?
O4 C38 H38A 110.0 . . ?
O4 C38 H38B 110.0 . . ?
O4 C38 C39 108.4(10) . . ?
H38A C38 H38B 108.4 . . ?
C39 C38 H38A 110.0 . . ?
C39 C38 H38B 110.0 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
O4 C40 H40A 109.0 . . ?
O4 C40 H40B 109.0 . . ?
H40A C40 H40B 107.8 . . ?
C41 C40 O4 113.1(13) . . ?
C41 C40 H40A 109.0 . . ?
C41 C40 H40B 109.0 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 P1 C27 C28 -44.9(6) . . . . ?
Rh1 P1 C27 C32 136.3(5) . . . . ?
Rh1 P1 C16 C15 -18.4(5) . . . . ?
Rh1 P1 C16 C17 163.7(6) . . . . ?
Rh1 P1 C21 C22 91.6(7) . . . . ?
Rh1 P1 C21 C26 -81.2(7) . . . . ?
Rh1 C9 C10 C5 89.8(6) . . . . ?
Rh1 C9 C10 C11 -88.1(6) . . . . ?
Rh1 C9 C15 C20 -164.4(5) . . . . ?
Rh1 C9 C15 C16 23.0(7) . . . . ?
P1 C27 C32 C31 178.8(6) . . . . ?
P1 C16 C17 C18 176.0(6) . . . . ?
P1 C21 C22 C23 -173.8(7) . . . . ?
P1 C21 C26 C25 173.3(7) . . . . ?
O1 S1 C37 F2 -176.6(7) . . . . ?
O1 S1 C37 F1 -54.6(9) . . . . ?
O1 S1 C37 F3 66.4(8) . . . . ?
N1 C13 C4 C3 178.9(7) . . . . ?
N1 C11 C8 C7 178.9(7) . . . . ?
C12 C9 C10 C5 -153.4(6) . . . . ?
C12 C9 C10 C11 28.6(8) . . . . ?
C12 C9 C15 C20 77.8(7) . . . . ?
C12 C9 C15 C16 -94.8(7) . . . . ?
C12 C13 C4 C3 -0.2(10) . . . . ?
C12 C1 C2 C3 2.6(10) . . . . ?
C9 C12 C13 N1 4.6(9) . . . . ?
C9 C12 C13 C4 -176.4(6) . . . . ?
C9 C12 C1 C2 175.1(6) . . . . ?
C9 C10 C5 C6 -175.4(6) . . . . ?
C9 C10 C11 N1 -3.5(9) . . . . ?
C9 C10 C11 C8 176.4(6) . . . . ?
C9 C15 C16 P1 -2.8(8) . . . . ?
C9 C15 C16 C17 175.1(6) . . . . ?
C28 C27 C32 C31 0.1(11) . . . . ?
C28 C29 C30 C31 -2.9(13) . . . . ?
C10 C9 C15 C20 -49.4(8) . . . . ?
C10 C9 C15 C16 138.0(6) . . . . ?
C10 C5 C6 C7 -0.8(12) . . . . ?
C10 C11 C8 C7 -1.0(11) . . . . ?
C20 C15 C16 P1 -175.5(5) . . . . ?
C20 C15 C16 C17 2.4(10) . . . . ?
C20 C19 C18 C17 0.5(12) . . . . ?
C13 N1 C11 C10 -24.2(10) . . . . ?
C13 N1 C11 C8 155.9(7) . . . . ?
C13 C12 C9 Rh1 85.2(6) . . . . ?
C13 C12 C9 C10 -29.2(8) . . . . ?
C13 C12 C9 C15 -157.1(6) . . . . ?
C13 C12 C1 C2 -3.3(9) . . . . ?
C27 P1 C16 C15 107.3(5) . . . . ?
C27 P1 C16 C17 -70.6(7) . . . . ?
C27 P1 C21 C22 -39.3(7) . . . . ?
C27 P1 C21 C26 148.0(6) . . . . ?
C27 C28 C29 C30 2.3(11) . . . . ?
C27 C32 C31 C30 -0.7(13) . . . . ?
C15 C9 C10 C5 -27.3(8) . . . . ?
C15 C9 C10 C11 154.8(6) . . . . ?
C15 C20 C19 C18 0.2(11) . . . . ?
C15 C16 C17 C18 -1.7(11) . . . . ?
C5 C10 C11 N1 178.4(6) . . . . ?
C5 C10 C11 C8 -1.7(10) . . . . ?
C5 C6 C7 C8 -2.0(13) . . . . ?
C1 C12 C9 Rh1 -93.1(6) . . . . ?
C1 C12 C9 C10 152.4(6) . . . . ?
C1 C12 C9 C15 24.6(8) . . . . ?
C1 C12 C13 N1 -177.0(6) . . . . ?
C1 C12 C13 C4 2.0(9) . . . . ?
C1 C2 C3 C4 -0.6(11) . . . . ?
C11 N1 C13 C12 23.8(10) . . . . ?
C11 N1 C13 C4 -155.3(7) . . . . ?
C11 C10 C5 C6 2.6(10) . . . . ?
C19 C20 C15 C9 -174.5(6) . . . . ?
C19 C20 C15 C16 -1.6(10) . . . . ?
C2 C3 C4 C13 -0.6(12) . . . . ?
C16 P1 C27 C28 -161.7(5) . . . . ?
C16 P1 C27 C32 19.5(7) . . . . ?
C16 P1 C21 C22 -155.2(6) . . . . ?
C16 P1 C21 C26 32.0(7) . . . . ?
C16 C17 C18 C19 0.2(11) . . . . ?
C21 P1 C27 C28 84.1(6) . . . . ?
C21 P1 C27 C32 -94.6(6) . . . . ?
C21 P1 C16 C15 -139.3(5) . . . . ?
C21 P1 C16 C17 42.9(7) . . . . ?
C21 C22 C23 C24 2.4(14) . . . . ?
C21 C26 C25 C24 -1.2(14) . . . . ?
O2 S1 C37 F2 56.9(9) . . . . ?
O2 S1 C37 F1 178.9(8) . . . . ?
O2 S1 C37 F3 -60.1(9) . . . . ?
O3 S1 C37 F2 -62.0(8) . . . . ?
O3 S1 C37 F1 60.0(9) . . . . ?
O3 S1 C37 F3 -179.0(7) . . . . ?
C6 C7 C8 C11 2.9(13) . . . . ?
C32 C31 C30 C29 2.0(13) . . . . ?
C29 C28 C27 P1 -179.7(6) . . . . ?
C29 C28 C27 C32 -0.9(11) . . . . ?
C22 C21 C26 C25 0.4(12) . . . . ?
C22 C23 C24 C25 -3.2(15) . . . . ?
C23 C24 C25 C26 2.6(16) . . . . ?
C26 C21 C22 C23 -1.0(12) . . . . ?
C14 N1 C13 C12 -167.5(7) . . . . ?
C14 N1 C13 C4 13.4(11) . . . . ?
C14 N1 C11 C10 167.0(7) . . . . ?
C14 N1 C11 C8 -12.9(11) . . . . ?
C38 O4 C40 C41 -73.4(15) . . . . ?
C40 O4 C38 C39 -173.0(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
