# Electronic Supplementary Material (ESI) for Catalysis Science & Technology.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_mo_ACM497_0m
_database_code_depnum_ccdc_archive 'CCDC 1951661'
loop_
_audit_author_name
_audit_author_address
'Eduardo Carmelo Escudero-Adan' ICIQ
_audit_update_record             
;
2019-09-05 deposited with the CCDC.	2020-01-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36.50 H57 B Cl F4 N4 P4 Rh'
_chemical_formula_weight         900.91
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Trigonal
_space_group_IT_number           152
_space_group_name_H-M_alt        'P 31 2 1'
_space_group_name_Hall           'P 31 2"'

_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'
'-y, x-y, z+1/3'
'-x+y, -x, z+2/3'
'y, x, -z'
'x-y, -y, -z+2/3'
'-x, -x+y, -z+1/3'

_cell_length_a                   13.824(3)
_cell_length_b                   13.824(3)
_cell_length_c                   40.089(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     6635(3)
_cell_formula_units_Z            6
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9834
_cell_measurement_theta_min      2.29
_cell_measurement_theta_max      28.67

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.353
_exptl_crystal_F_000             2802
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_exptl_absorpt_coefficient_mu    0.638
_shelx_estimated_absorpt_T_min   0.939
_shelx_estimated_absorpt_T_max   0.969
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.725
_exptl_absorpt_correction_T_max  0.969
_exptl_absorpt_process_details   
; 
 SADABS Version 2008/1 Bruker-Nonius
 Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_special_details           
; 
 It should be noted that the esd's of the cell dimensions are probably too low;
 they should be multiplied by a factor of 2 to 10
;
_diffrn_ambient_temperature      100(2)
_diffrn_measurement_specimen_support 'magnetic support with MicroMount'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Microfocus source E025 IuS'
_diffrn_source_type              'Bruker APEX DUO'
_diffrn_source_power             50
_diffrn_source_current           0.6
_diffrn_source_size              '0.2 mm x 0.2 mm fine focus'
_diffrn_radiation_monochromator  'Quazar MX Multilayer Optics'
_diffrn_detector_type            '4K CCD area detector APEX II'
_diffrn_measurement_device_type  'APEX DUO Kappa 4-axis goniometer'
_diffrn_measurement_method       
;
 Fullsphere data collection, phi and omega scans
;
_diffrn_detector_area_resol_mean 512
_diffrn_reflns_number            58300
_diffrn_reflns_av_unetI/netI     0.0516
_diffrn_reflns_av_R_equivalents  0.0612
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_limit_l_max       52
_diffrn_reflns_theta_min         1.524
_diffrn_reflns_theta_max         29.034
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             11429
_reflns_number_gt                9617
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.772
_reflns_Friedel_fraction_max     0.955
_reflns_Friedel_fraction_full    0.987

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.

 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2 v2014.9-0'
_computing_cell_refinement       'Bruker APEX2 v2014.9-0'
_computing_data_reduction        'Bruker SAINT V7.60A'
_computing_structure_solution    Sir2011
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0621P)²+8.4450P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 3582 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_chemical_absolute_configuration ad
_refine_ls_abs_structure_Flack   -0.016(17)
_refine_ls_number_reflns         11429
_refine_ls_number_parameters     885
_refine_ls_number_restraints     1215
_refine_ls_R_factor_all          0.0709
_refine_ls_R_factor_gt           0.0567
_refine_ls_wR_factor_ref         0.1458
_refine_ls_wR_factor_gt          0.1400
_refine_ls_goodness_of_fit_ref   1.156
_refine_ls_restrained_S_all      1.119
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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 0.70233(4) 0.29770(4) 0.75002(2) 0.03048(14) Uani 1 1 d . . . . .
C1 C 0.5121(6) 0.3871(6) 0.75137(17) 0.0270(13) Uani 1 1 d . . . . .
C2 C 0.6134(6) 0.4879(6) 0.74869(17) 0.0283(14) Uani 1 1 d . . . . .
C3 C 0.5183(6) 0.5831(6) 0.7502(2) 0.0344(16) Uani 1 1 d . . . . .
C4 C 0.5171(6) 0.6855(6) 0.7496(2) 0.046(2) Uani 1 1 d . . . . .
H4 H 0.585346 0.754634 0.748819 0.055 Uiso 1 1 calc R U . . .
C5 C 0.4174(6) 0.6842(6) 0.7503(3) 0.056(3) Uani 1 1 d . . . . .
H5 H 0.416803 0.752561 0.751089 0.068 Uiso 1 1 calc R U . . .
C6 C 0.3160(6) 0.5824(6) 0.7499(3) 0.056(3) Uani 1 1 d . . . . .
H6 H 0.247601 0.582931 0.749119 0.067 Uiso 1 1 calc R U . . .
C7 C 0.3142(6) 0.4825(6) 0.7506(2) 0.043(2) Uani 1 1 d . . . . .
H7 H 0.244950 0.414458 0.751583 0.052 Uiso 1 1 calc R U . . .
C8 C 0.4168(6) 0.4807(6) 0.7500(2) 0.0352(16) Uani 1 1 d . . . . .
C9 C 0.7647(6) 0.5175(6) 0.6956(2) 0.0397(16) Uani 1 1 d . . . . .
C10 C 0.6602(7) 0.4329(7) 0.6765(2) 0.0471(17) Uani 1 1 d . . . . .
H10A H 0.596880 0.442279 0.682845 0.071 Uiso 1 1 calc R U . . .
H10B H 0.643245 0.356907 0.682051 0.071 Uiso 1 1 calc R U . . .
H10C H 0.673591 0.445345 0.652502 0.071 Uiso 1 1 calc R U . . .
C11 C 0.8666(8) 0.5126(10) 0.6837(2) 0.066(3) Uani 1 1 d . . . . .
H11A H 0.932796 0.567591 0.695924 0.099 Uiso 1 1 calc R U . . .
H11B H 0.877491 0.529405 0.659764 0.099 Uiso 1 1 calc R U . . .
H11C H 0.855269 0.437645 0.687623 0.099 Uiso 1 1 calc R U . . .
C12 C 0.7855(8) 0.6364(7) 0.6889(2) 0.058(3) Uani 1 1 d . . . . .
H12A H 0.849041 0.690361 0.702232 0.087 Uiso 1 1 calc R U . . .
H12B H 0.718773 0.640091 0.694888 0.087 Uiso 1 1 calc R U . . .
H12C H 0.801970 0.654075 0.665129 0.087 Uiso 1 1 calc R U . . .
C13 C 0.8464(6) 0.6047(5) 0.7631(2) 0.0363(16) Uani 1 1 d . . . . .
H13A H 0.834670 0.667397 0.758066 0.054 Uiso 1 1 calc R U . . .
H13B H 0.921080 0.622541 0.755705 0.054 Uiso 1 1 calc R U . . .
H13C H 0.839789 0.591055 0.787237 0.054 Uiso 1 1 calc R U . . .
C14 C 0.4817(6) 0.2355(6) 0.80452(19) 0.0396(16) Uani 1 1 d . . . . .
C15 C 0.3634(7) 0.2148(9) 0.8109(2) 0.061(3) Uani 1 1 d . . . . .
H15A H 0.309912 0.151979 0.797229 0.092 Uiso 1 1 calc R U . . .
H15B H 0.360129 0.281921 0.805095 0.092 Uiso 1 1 calc R U . . .
H15C H 0.344683 0.197237 0.834556 0.092 Uiso 1 1 calc R U . . .
C16 C 0.5668(7) 0.3398(7) 0.8235(2) 0.0458(17) Uani 1 1 d . . . . .
H16A H 0.642546 0.355565 0.818193 0.069 Uiso 1 1 calc R U . . .
H16B H 0.553850 0.326844 0.847569 0.069 Uiso 1 1 calc R U . . .
H16C H 0.558543 0.403548 0.817005 0.069 Uiso 1 1 calc R U . . .
C17 C 0.4874(10) 0.1340(8) 0.8164(2) 0.067(3) Uani 1 1 d . . . . .
H17A H 0.563576 0.147516 0.813561 0.101 Uiso 1 1 calc R U . . .
H17B H 0.435556 0.068457 0.803312 0.101 Uiso 1 1 calc R U . . .
H17C H 0.466656 0.120496 0.840040 0.101 Uiso 1 1 calc R U . . .
C18 C 0.3953(5) 0.1542(6) 0.7368(2) 0.0384(17) Uani 1 1 d . . . . .
H18A H 0.332084 0.164357 0.742609 0.058 Uiso 1 1 calc R U . . .
H18B H 0.378768 0.079258 0.743558 0.058 Uiso 1 1 calc R U . . .
H18C H 0.407901 0.162750 0.712688 0.058 Uiso 1 1 calc R U . . .
P3 P 0.6616(7) 0.1160(7) 0.7421(2) 0.0261(13) Uani 0.42 1 d D U P A 1
P4 P 0.8810(7) 0.3355(6) 0.76068(19) 0.0245(14) Uani 0.42 1 d D U P A 1
C19 C 0.7844(10) 0.1052(11) 0.7523(3) 0.029(3) Uani 0.42 1 d D U P A 1
C20 C 0.8851(7) 0.0121(8) 0.7532(2) 0.036(3) Uani 0.42 1 d DG U P A 1
C21 C 0.8845(9) -0.0887(7) 0.7542(4) 0.049(4) Uani 0.42 1 d DG U P A 1
H21 H 0.815590 -0.157144 0.754972 0.059 Uiso 0.42 1 calc R U P A 1
C22 C 0.9847(11) -0.0893(9) 0.7541(4) 0.064(4) Uani 0.42 1 d DG U P A 1
H22 H 0.984341 -0.158179 0.754815 0.076 Uiso 0.42 1 calc R U P A 1
C23 C 1.0856(9) 0.0109(11) 0.7530(4) 0.064(4) Uani 0.42 1 d DG U P A 1
H23 H 1.154061 0.010467 0.752960 0.077 Uiso 0.42 1 calc R U P A 1
C24 C 1.0861(7) 0.1117(9) 0.7520(4) 0.052(4) Uani 0.42 1 d DG U P A 1
H24 H 1.155032 0.180150 0.751261 0.062 Uiso 0.42 1 calc R U P A 1
C25 C 0.9859(8) 0.1123(7) 0.7521(2) 0.037(3) Uani 0.42 1 d DG U P A 1
C26 C 0.8932(10) 0.2124(10) 0.7514(3) 0.024(3) Uani 0.42 1 d D U P A 1
N3 N 0.7828(9) 0.0082(10) 0.7532(3) 0.026(3) Uani 0.42 1 d D U P A 1
N4 N 0.9894(10) 0.2150(9) 0.7512(3) 0.026(3) Uani 0.42 1 d D U P A 1
C27 C 0.6450(15) 0.0799(14) 0.6963(4) 0.027(4) Uani 0.42 1 d D U P A 1
C28 C 0.624(2) -0.0381(15) 0.6887(6) 0.031(5) Uani 0.42 1 d D U P A 1
H28A H 0.629578 -0.046401 0.664621 0.047 Uiso 0.42 1 calc R U P A 1
H28B H 0.549729 -0.093719 0.696534 0.047 Uiso 0.42 1 calc R U P A 1
H28C H 0.680611 -0.049291 0.700193 0.047 Uiso 0.42 1 calc R U P A 1
C29 C 0.752(2) 0.166(2) 0.6776(6) 0.041(7) Uani 0.42 1 d D U P A 1
H29A H 0.743623 0.148819 0.653672 0.061 Uiso 0.42 1 calc R U P A 1
H29B H 0.816604 0.162034 0.686139 0.061 Uiso 0.42 1 calc R U P A 1
H29C H 0.764196 0.241319 0.681097 0.061 Uiso 0.42 1 calc R U P A 1
C30 C 0.545(2) 0.090(2) 0.6829(6) 0.031(6) Uani 0.42 1 d D U P A 1
H30A H 0.539124 0.078162 0.658724 0.046 Uiso 0.42 1 calc R U P A 1
H30B H 0.556787 0.164214 0.687993 0.046 Uiso 0.42 1 calc R U P A 1
H30C H 0.475988 0.033034 0.693598 0.046 Uiso 0.42 1 calc R U P A 1
C31 C 0.5552(17) -0.0122(19) 0.7621(6) 0.031(7) Uani 0.42 1 d D U P A 1
H31A H 0.571026 -0.072625 0.757732 0.046 Uiso 0.42 1 calc R U P A 1
H31B H 0.481505 -0.032481 0.753077 0.046 Uiso 0.42 1 calc R U P A 1
H31C H 0.555843 -0.000171 0.786212 0.046 Uiso 0.42 1 calc R U P A 1
C32 C 1.0098(18) 0.4414(16) 0.7404(6) 0.027(6) Uani 0.42 1 d D U P A 1
H32A H 1.001610 0.432433 0.716164 0.041 Uiso 0.42 1 calc R U P A 1
H32B H 1.072471 0.432168 0.747696 0.041 Uiso 0.42 1 calc R U P A 1
H32C H 1.024280 0.516009 0.746614 0.041 Uiso 0.42 1 calc R U P A 1
C33 C 0.9157(14) 0.3539(14) 0.8065(4) 0.025(4) Uani 0.42 1 d D U P A 1
C34 C 1.0325(15) 0.372(2) 0.8146(5) 0.031(5) Uani 0.42 1 d D U P A 1
H34A H 1.041119 0.370463 0.838851 0.047 Uiso 0.42 1 calc R U P A 1
H34B H 1.089703 0.444276 0.805815 0.047 Uiso 0.42 1 calc R U P A 1
H34C H 1.041105 0.312216 0.804352 0.047 Uiso 0.42 1 calc R U P A 1
C35 C 0.907(3) 0.454(2) 0.8194(6) 0.035(6) Uani 0.42 1 d D U P A 1
H35A H 0.923312 0.462810 0.843399 0.052 Uiso 0.42 1 calc R U P A 1
H35B H 0.831749 0.440646 0.815478 0.052 Uiso 0.42 1 calc R U P A 1
H35C H 0.961532 0.521550 0.807670 0.052 Uiso 0.42 1 calc R U P A 1
C36 C 0.8287(19) 0.246(2) 0.8250(5) 0.039(6) Uani 0.42 1 d D U P A 1
H36A H 0.844590 0.254934 0.849026 0.059 Uiso 0.42 1 calc R U P A 1
H36B H 0.833165 0.182084 0.816686 0.059 Uiso 0.42 1 calc R U P A 1
H36C H 0.753473 0.234292 0.821110 0.059 Uiso 0.42 1 calc R U P A 1
P3' P 0.6719(7) 0.1248(9) 0.7328(2) 0.0261(13) Uani 0.35 1 d D U P A 2
P4' P 0.8894(11) 0.3402(9) 0.7541(3) 0.0245(14) Uani 0.35 1 d D U P A 2
C19' C 0.7958(11) 0.1131(11) 0.7407(3) 0.027(3) Uani 0.35 1 d D U P A 2
C20' C 0.8977(8) 0.0221(9) 0.7335(3) 0.045(4) Uani 0.35 1 d DG U P A 2
C21' C 0.8990(10) -0.0773(8) 0.7301(4) 0.057(4) Uani 0.35 1 d DG U P A 2
H21' H 0.830983 -0.146617 0.730416 0.069 Uiso 0.35 1 calc R U P A 2
C22' C 1.0000(12) -0.0751(9) 0.7261(5) 0.062(4) Uani 0.35 1 d DG U P A 2
H22' H 1.000908 -0.143018 0.723723 0.074 Uiso 0.35 1 calc R U P A 2
C23' C 1.0995(10) 0.0264(12) 0.7256(4) 0.061(4) Uani 0.35 1 d DG U P A 2
H23' H 1.168520 0.027831 0.722876 0.073 Uiso 0.35 1 calc R U P A 2
C24' C 1.0982(8) 0.1257(9) 0.7291(4) 0.046(4) Uani 0.35 1 d DG U P A 2
H24' H 1.166207 0.195083 0.728721 0.056 Uiso 0.35 1 calc R U P A 2
C25' C 0.9972(9) 0.1236(8) 0.7330(3) 0.038(3) Uani 0.35 1 d DG U P A 2
C26' C 0.9035(12) 0.2217(12) 0.7403(4) 0.033(3) Uani 0.35 1 d D U P A 2
N3' N 0.7955(11) 0.0169(11) 0.7374(4) 0.036(3) Uani 0.35 1 d D U P A 2
N4' N 0.9991(11) 0.2249(11) 0.7365(4) 0.030(3) Uani 0.35 1 d D U P A 2
C27' C 0.6553(15) 0.0997(16) 0.6865(4) 0.032(4) Uani 0.35 1 d D U P A 2
C28' C 0.639(2) -0.0145(19) 0.6757(6) 0.048(6) Uani 0.35 1 d D U P A 2
H28D H 0.642588 -0.016884 0.651310 0.072 Uiso 0.35 1 calc R U P A 2
H28E H 0.565231 -0.073826 0.683250 0.072 Uiso 0.35 1 calc R U P A 2
H28F H 0.697109 -0.025548 0.685588 0.072 Uiso 0.35 1 calc R U P A 2
C29' C 0.761(2) 0.193(2) 0.6686(6) 0.050(7) Uani 0.35 1 d D U P A 2
H29D H 0.749502 0.185131 0.644396 0.075 Uiso 0.35 1 calc R U P A 2
H29E H 0.825819 0.185471 0.674464 0.075 Uiso 0.35 1 calc R U P A 2
H29F H 0.773957 0.266182 0.675653 0.075 Uiso 0.35 1 calc R U P A 2
C30' C 0.554(2) 0.110(3) 0.6748(7) 0.044(7) Uani 0.35 1 d D U P A 2
H30D H 0.550876 0.108951 0.650349 0.066 Uiso 0.35 1 calc R U P A 2
H30E H 0.561318 0.180060 0.683024 0.066 Uiso 0.35 1 calc R U P A 2
H30F H 0.484746 0.046896 0.683570 0.066 Uiso 0.35 1 calc R U P A 2
C31' C 0.5672(18) -0.0070(19) 0.7513(6) 0.040(7) Uani 0.35 1 d D U P A 2
H31D H 0.572526 -0.068701 0.741222 0.059 Uiso 0.35 1 calc R U P A 2
H31E H 0.492531 -0.017634 0.747288 0.059 Uiso 0.35 1 calc R U P A 2
H31F H 0.580222 -0.005338 0.775385 0.059 Uiso 0.35 1 calc R U P A 2
C32' C 1.012(2) 0.4522(18) 0.7330(7) 0.030(6) Uani 0.35 1 d D U P A 2
H32D H 1.074053 0.437342 0.734333 0.045 Uiso 0.35 1 calc R U P A 2
H32E H 1.033270 0.523786 0.743716 0.045 Uiso 0.35 1 calc R U P A 2
H32F H 0.993770 0.455290 0.709484 0.045 Uiso 0.35 1 calc R U P A 2
C33' C 0.9323(17) 0.3536(18) 0.7992(5) 0.035(5) Uani 0.35 1 d D U P A 2
C34' C 1.0524(17) 0.376(3) 0.8042(6) 0.035(6) Uani 0.35 1 d D U P A 2
H34D H 1.063910 0.366088 0.827798 0.053 Uiso 0.35 1 calc R U P A 2
H34E H 1.105688 0.452833 0.797431 0.053 Uiso 0.35 1 calc R U P A 2
H34F H 1.063804 0.323734 0.790640 0.053 Uiso 0.35 1 calc R U P A 2
C35' C 0.922(3) 0.449(3) 0.8147(7) 0.041(7) Uani 0.35 1 d D U P A 2
H35D H 0.950755 0.462265 0.837624 0.062 Uiso 0.35 1 calc R U P A 2
H35E H 0.843482 0.429906 0.814963 0.062 Uiso 0.35 1 calc R U P A 2
H35F H 0.965578 0.517565 0.801551 0.062 Uiso 0.35 1 calc R U P A 2
C36' C 0.852(2) 0.243(2) 0.8174(6) 0.044(7) Uani 0.35 1 d D U P A 2
H36D H 0.869790 0.250331 0.841218 0.066 Uiso 0.35 1 calc R U P A 2
H36E H 0.859446 0.181708 0.807972 0.066 Uiso 0.35 1 calc R U P A 2
H36F H 0.774401 0.226479 0.814488 0.066 Uiso 0.35 1 calc R U P A 2
P3" P 0.6610(13) 0.1097(15) 0.7460(5) 0.0261(13) Uani 0.23 1 d D U P A 3
P4" P 0.8744(11) 0.3255(9) 0.7694(3) 0.0245(14) Uani 0.23 1 d D U P A 3
C19" C 0.7787(15) 0.0953(14) 0.7601(8) 0.030(4) Uani 0.23 1 d D U P A 3
C20" C 0.8742(13) -0.0010(13) 0.7693(8) 0.029(4) Uani 0.23 1 d D U P A 3
C21" C 0.8704(15) -0.1022(13) 0.7751(8) 0.034(4) Uani 0.23 1 d D U P A 3
H21" H 0.800946 -0.170122 0.775233 0.041 Uiso 0.23 1 calc R U P A 3
C22" C 0.9692(15) -0.1027(15) 0.7809(9) 0.041(5) Uani 0.23 1 d D U P A 3
H22" H 0.966830 -0.170960 0.786037 0.049 Uiso 0.23 1 calc R U P A 3
C23" C 1.0716(15) -0.0043(16) 0.7791(9) 0.042(5) Uani 0.23 1 d D U P A 3
H23" H 1.138873 -0.005908 0.782304 0.050 Uiso 0.23 1 calc R U P A 3
C24" C 1.0757(14) 0.0961(16) 0.7725(9) 0.042(5) Uani 0.23 1 d D U P A 3
H24" H 1.145621 0.162782 0.770152 0.050 Uiso 0.23 1 calc R U P A 3
C25" C 0.9765(13) 0.0984(13) 0.7695(8) 0.034(4) Uani 0.23 1 d D U P A 3
C26" C 0.8878(14) 0.2018(13) 0.7625(7) 0.024(4) Uani 0.23 1 d D U P A 3
N3" N 0.7742(14) -0.0016(14) 0.7655(8) 0.028(4) Uani 0.23 1 d D U P A 3
N4" N 0.9819(14) 0.2014(13) 0.7663(7) 0.029(4) Uani 0.23 1 d D U P A 3
C27" C 0.649(2) 0.063(2) 0.7013(6) 0.035(6) Uani 0.23 1 d D U P A 3
C28" C 0.625(4) -0.057(2) 0.6972(9) 0.034(8) Uani 0.23 1 d D U P A 3
H28G H 0.645579 -0.067199 0.674553 0.052 Uiso 0.23 1 calc R U P A 3
H28H H 0.545524 -0.109451 0.700889 0.052 Uiso 0.23 1 calc R U P A 3
H28I H 0.669376 -0.071464 0.713437 0.052 Uiso 0.23 1 calc R U P A 3
C29" C 0.759(3) 0.144(3) 0.6828(9) 0.039(9) Uani 0.23 1 d D U P A 3
H29G H 0.751799 0.123088 0.659169 0.059 Uiso 0.23 1 calc R U P A 3
H29H H 0.820585 0.137406 0.692690 0.059 Uiso 0.23 1 calc R U P A 3
H29I H 0.774286 0.220517 0.684960 0.059 Uiso 0.23 1 calc R U P A 3
C30" C 0.552(4) 0.073(4) 0.6849(9) 0.038(8) Uani 0.23 1 d D U P A 3
H30G H 0.537490 0.040248 0.662544 0.057 Uiso 0.23 1 calc R U P A 3
H30H H 0.573396 0.152148 0.683259 0.057 Uiso 0.23 1 calc R U P A 3
H30I H 0.484646 0.033475 0.698580 0.057 Uiso 0.23 1 calc R U P A 3
C31" C 0.548(2) -0.011(3) 0.7674(10) 0.025(8) Uani 0.23 1 d D U P A 3
H31G H 0.545886 -0.079070 0.759625 0.038 Uiso 0.23 1 calc R U P A 3
H31H H 0.477038 -0.014631 0.762566 0.038 Uiso 0.23 1 calc R U P A 3
H31I H 0.561983 -0.002812 0.791519 0.038 Uiso 0.23 1 calc R U P A 3
C32" C 1.009(2) 0.431(2) 0.7519(8) 0.033(8) Uani 0.23 1 d D U P A 3
H32G H 1.036831 0.500970 0.764357 0.050 Uiso 0.23 1 calc R U P A 3
H32H H 0.998829 0.443735 0.728427 0.050 Uiso 0.23 1 calc R U P A 3
H32I H 1.062556 0.404620 0.753573 0.050 Uiso 0.23 1 calc R U P A 3
C33" C 0.895(2) 0.3432(19) 0.8159(5) 0.029(5) Uani 0.23 1 d D U P A 3
C34" C 1.007(2) 0.356(3) 0.8279(8) 0.041(7) Uani 0.23 1 d D U P A 3
H34G H 1.004834 0.347353 0.852192 0.062 Uiso 0.23 1 calc R U P A 3
H34H H 1.067912 0.430145 0.821756 0.062 Uiso 0.23 1 calc R U P A 3
H34I H 1.018335 0.298593 0.817395 0.062 Uiso 0.23 1 calc R U P A 3
C35" C 0.887(4) 0.445(3) 0.8265(8) 0.037(8) Uani 0.23 1 d D U P A 3
H35G H 0.882646 0.447075 0.850889 0.055 Uiso 0.23 1 calc R U P A 3
H35H H 0.820132 0.441151 0.816702 0.055 Uiso 0.23 1 calc R U P A 3
H35I H 0.953467 0.513505 0.818766 0.055 Uiso 0.23 1 calc R U P A 3
C36" C 0.799(3) 0.237(3) 0.8330(7) 0.038(8) Uani 0.23 1 d D U P A 3
H36G H 0.801162 0.249941 0.857094 0.057 Uiso 0.23 1 calc R U P A 3
H36H H 0.809300 0.173181 0.828620 0.057 Uiso 0.23 1 calc R U P A 3
H36I H 0.727150 0.222448 0.824014 0.057 Uiso 0.23 1 calc R U P A 3
N1 N 0.6189(5) 0.5864(5) 0.74924(15) 0.0308(13) Uani 1 1 d . . . . .
N2 N 0.4133(5) 0.3808(5) 0.75089(15) 0.0315(13) Uani 1 1 d . . . . .
P1 P 0.74109(14) 0.47939(13) 0.74143(4) 0.0288(3) Uani 1 1 d . . . . .
P2 P 0.52063(13) 0.25888(14) 0.75855(4) 0.0290(3) Uani 1 1 d . . . . .
B1B B 0.1936(8) 0.8066(8) 0.7501(2) 0.0400(17) Uani 1 1 d . . . . .
F1B F 0.1149(5) 0.7920(7) 0.72691(13) 0.081(2) Uani 1 1 d . . . . .
F2B F 0.1557(8) 0.7080(5) 0.7666(2) 0.110(3) Uani 1 1 d . . . . .
F3B F 0.2919(5) 0.8434(8) 0.7333(2) 0.112(3) Uani 1 1 d . . . . .
F4B F 0.2075(7) 0.8849(5) 0.77307(13) 0.081(2) Uani 1 1 d . . . . .
C1S C 1.022(3) -0.049(3) 0.6798(10) 0.063(6) Uani 0.25 1 d . U P B -1
H1S1 H 1.029405 -0.082145 0.700893 0.075 Uiso 0.25 1 calc R U P B -1
H1S2 H 1.016135 -0.099970 0.661582 0.075 Uiso 0.25 1 calc R U P B -1
Cl1S Cl 1.1431(13) 0.0750(13) 0.6740(5) 0.104(5) Uani 0.25 1 d . U P B -1
Cl2S Cl 0.8959(10) -0.0503(12) 0.6815(4) 0.081(3) Uani 0.25 1 d . U P B -1
C1S' C 1.048(3) -0.024(3) 0.8206(10) 0.064(7) Uani 0.25 1 d . U P C -1
H1S3 H 1.081304 -0.032481 0.799605 0.076 Uiso 0.25 1 calc R U P C -1
H1S4 H 1.098596 -0.018566 0.838934 0.076 Uiso 0.25 1 calc R U P C -1
Cl4S Cl 1.0499(13) 0.1027(11) 0.8185(4) 0.086(4) Uani 0.25 1 d . U P C -1
Cl3S Cl 0.9253(13) -0.1428(13) 0.8263(5) 0.112(6) Uani 0.25 1 d . . P C -1


_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 P4 2.294(9) . ?
Rh1 P3 2.305(9) . ?
Rh1 P3' 2.316(11) . ?
Rh1 P2 2.3165(17) . ?
Rh1 P1 2.3171(17) . ?
Rh1 P4" 2.344(13) . ?
Rh1 P4' 2.353(13) . ?
Rh1 P3" 2.370(18) . ?
C1 N2 1.323(9) . ?
C1 C2 1.401(8) . ?
C1 P2 1.858(6) . ?
C2 N1 1.326(9) . ?
C2 P1 1.849(6) . ?
C3 N1 1.369(9) . ?
C3 C8 1.409(9) . ?
C3 C4 1.425(10) . ?
C4 C5 1.369(10) . ?
C4 H4 0.9500 . ?
C5 C6 1.404(9) . ?
C5 H5 0.9500 . ?
C6 C7 1.369(10) . ?
C6 H6 0.9500 . ?
C7 C8 1.430(10) . ?
C7 H7 0.9500 . ?
C8 N2 1.359(9) . ?
C9 C11 1.521(11) . ?
C9 C10 1.534(11) . ?
C9 C12 1.545(11) . ?
C9 P1 1.892(8) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 P1 1.831(7) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C17 1.521(11) . ?
C14 C16 1.532(11) . ?
C14 C15 1.534(11) . ?
C14 P2 1.902(8) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 P2 1.830(7) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
P3 C19 1.824(11) . ?
P3 C31 1.827(13) . ?
P3 C27 1.887(13) . ?
P4 C26 1.830(10) . ?
P4 C32 1.835(13) . ?
P4 C33 1.884(13) . ?
C19 N3 1.330(13) . ?
C19 C26 1.493(12) . ?
C20 N3 1.387(11) . ?
C20 C21 1.3900 . ?
C20 C25 1.3900 . ?
C21 C22 1.3900 . ?
C21 H21 0.9500 . ?
C22 C23 1.3900 . ?
C22 H22 0.9500 . ?
C23 C24 1.3900 . ?
C23 H23 0.9500 . ?
C24 C25 1.3900 . ?
C24 H24 0.9500 . ?
C25 N4 1.397(11) . ?
C26 N4 1.313(13) . ?
C27 C28 1.539(15) . ?
C27 C30 1.551(16) . ?
C27 C29 1.553(18) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C35 1.532(16) . ?
C33 C34 1.541(15) . ?
C33 C36 1.556(18) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
P3' C31' 1.825(14) . ?
P3' C19' 1.828(11) . ?
P3' C27' 1.880(14) . ?
P4' C26' 1.831(11) . ?
P4' C32' 1.834(14) . ?
P4' C33' 1.880(14) . ?
C19' N3' 1.333(14) . ?
C19' C26' 1.495(13) . ?
C20' N3' 1.387(12) . ?
C20' C21' 1.3900 . ?
C20' C25' 1.3900 . ?
C21' C22' 1.3900 . ?
C21' H21' 0.9500 . ?
C22' C23' 1.3900 . ?
C22' H22' 0.9500 . ?
C23' C24' 1.3900 . ?
C23' H23' 0.9500 . ?
C24' C25' 1.3900 . ?
C24' H24' 0.9500 . ?
C25' N4' 1.395(11) . ?
C26' N4' 1.308(14) . ?
C27' C28' 1.539(16) . ?
C27' C30' 1.552(16) . ?
C27' C29' 1.557(19) . ?
C28' H28D 0.9800 . ?
C28' H28E 0.9800 . ?
C28' H28F 0.9800 . ?
C29' H29D 0.9800 . ?
C29' H29E 0.9800 . ?
C29' H29F 0.9800 . ?
C30' H30D 0.9800 . ?
C30' H30E 0.9800 . ?
C30' H30F 0.9800 . ?
C31' H31D 0.9800 . ?
C31' H31E 0.9800 . ?
C31' H31F 0.9800 . ?
C32' H32D 0.9800 . ?
C32' H32E 0.9800 . ?
C32' H32F 0.9800 . ?
C33' C35' 1.534(17) . ?
C33' C34' 1.542(16) . ?
C33' C36' 1.555(19) . ?
C34' H34D 0.9800 . ?
C34' H34E 0.9800 . ?
C34' H34F 0.9800 . ?
C35' H35D 0.9800 . ?
C35' H35E 0.9800 . ?
C35' H35F 0.9800 . ?
C36' H36D 0.9800 . ?
C36' H36E 0.9800 . ?
C36' H36F 0.9800 . ?
P3" C19" 1.825(12) . ?
P3" C31" 1.826(14) . ?
P3" C27" 1.884(15) . ?
P4" C26" 1.830(12) . ?
P4" C32" 1.834(15) . ?
P4" C33" 1.881(15) . ?
C19" N3" 1.328(15) . ?
C19" C26" 1.494(14) . ?
C20" N3" 1.388(13) . ?
C20" C21" 1.393(11) . ?
C20" C25" 1.395(10) . ?
C21" C22" 1.388(11) . ?
C21" H21" 0.9500 . ?
C22" C23" 1.391(11) . ?
C22" H22" 0.9500 . ?
C23" C24" 1.385(11) . ?
C23" H23" 0.9500 . ?
C24" C25" 1.393(11) . ?
C24" H24" 0.9500 . ?
C25" N4" 1.393(13) . ?
C26" N4" 1.313(14) . ?
C27" C28" 1.540(17) . ?
C27" C30" 1.550(17) . ?
C27" C29" 1.554(19) . ?
C28" H28G 0.9800 . ?
C28" H28H 0.9800 . ?
C28" H28I 0.9800 . ?
C29" H29G 0.9800 . ?
C29" H29H 0.9800 . ?
C29" H29I 0.9800 . ?
C30" H30G 0.9800 . ?
C30" H30H 0.9800 . ?
C30" H30I 0.9800 . ?
C31" H31G 0.9800 . ?
C31" H31H 0.9800 . ?
C31" H31I 0.9800 . ?
C32" H32G 0.9800 . ?
C32" H32H 0.9800 . ?
C32" H32I 0.9800 . ?
C33" C35" 1.532(17) . ?
C33" C34" 1.541(17) . ?
C33" C36" 1.56(2) . ?
C34" H34G 0.9800 . ?
C34" H34H 0.9800 . ?
C34" H34I 0.9800 . ?
C35" H35G 0.9800 . ?
C35" H35H 0.9800 . ?
C35" H35I 0.9800 . ?
C36" H36G 0.9800 . ?
C36" H36H 0.9800 . ?
C36" H36I 0.9800 . ?
B1B F4B 1.359(11) . ?
B1B F2B 1.361(11) . ?
B1B F3B 1.367(11) . ?
B1B F1B 1.368(11) . ?
C1S Cl1S 1.71(4) . ?
C1S Cl2S 1.73(4) . ?
C1S H1S1 0.9900 . ?
C1S H1S2 0.9900 . ?
C1S' Cl3S 1.69(4) . ?
C1S' Cl4S 1.74(4) . ?
C1S' H1S3 0.9900 . ?
C1S' H1S4 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
P4 Rh1 P3 85.5(3) . . ?
P4 Rh1 P2 160.79(19) . . ?
P3 Rh1 P2 97.0(2) . . ?
P3' Rh1 P2 100.9(2) . . ?
P4 Rh1 P1 98.15(19) . . ?
P3 Rh1 P1 163.5(2) . . ?
P3' Rh1 P1 154.0(2) . . ?
P2 Rh1 P1 84.79(6) . . ?
P2 Rh1 P4" 152.0(3) . . ?
P1 Rh1 P4" 101.9(3) . . ?
P3' Rh1 P4' 83.6(3) . . ?
P2 Rh1 P4' 167.5(3) . . ?
P1 Rh1 P4' 96.3(3) . . ?
P2 Rh1 P3" 96.7(4) . . ?
P1 Rh1 P3" 167.6(5) . . ?
P4" Rh1 P3" 82.6(4) . . ?
N2 C1 C2 123.4(7) . . ?
N2 C1 P2 119.7(5) . . ?
C2 C1 P2 116.8(5) . . ?
N1 C2 C1 122.3(7) . . ?
N1 C2 P1 120.1(5) . . ?
C1 C2 P1 117.5(5) . . ?
N1 C3 C8 121.3(7) . . ?
N1 C3 C4 118.8(7) . . ?
C8 C3 C4 119.8(8) . . ?
C5 C4 C3 119.9(7) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C4 C5 C6 120.5(7) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
C7 C6 C5 121.1(7) . . ?
C7 C6 H6 119.5 . . ?
C5 C6 H6 119.5 . . ?
C6 C7 C8 119.9(7) . . ?
C6 C7 H7 120.1 . . ?
C8 C7 H7 120.1 . . ?
N2 C8 C3 122.1(7) . . ?
N2 C8 C7 119.1(7) . . ?
C3 C8 C7 118.8(8) . . ?
C11 C9 C10 110.4(8) . . ?
C11 C9 C12 107.9(7) . . ?
C10 C9 C12 109.1(7) . . ?
C11 C9 P1 109.2(6) . . ?
C10 C9 P1 107.8(5) . . ?
C12 C9 P1 112.4(6) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
P1 C13 H13A 109.5 . . ?
P1 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
P1 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C17 C14 C16 110.0(7) . . ?
C17 C14 C15 108.5(7) . . ?
C16 C14 C15 109.7(7) . . ?
C17 C14 P2 108.7(6) . . ?
C16 C14 P2 107.7(5) . . ?
C15 C14 P2 112.2(6) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
P2 C18 H18A 109.5 . . ?
P2 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
P2 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C19 P3 C31 98.8(9) . . ?
C19 P3 C27 101.1(7) . . ?
C31 P3 C27 103.8(8) . . ?
C19 P3 Rh1 109.1(5) . . ?
C31 P3 Rh1 129.5(10) . . ?
C27 P3 Rh1 110.7(6) . . ?
C26 P4 C32 98.5(9) . . ?
C26 P4 C33 100.8(7) . . ?
C32 P4 C33 104.1(8) . . ?
C26 P4 Rh1 109.8(5) . . ?
C32 P4 Rh1 127.2(10) . . ?
C33 P4 Rh1 112.6(6) . . ?
N3 C19 C26 120.1(11) . . ?
N3 C19 P3 122.7(9) . . ?
C26 C19 P3 115.5(9) . . ?
N3 C20 C21 117.8(7) . . ?
N3 C20 C25 122.2(7) . . ?
C21 C20 C25 120.0 . . ?
C22 C21 C20 120.0 . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C21 C22 C23 120.0 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C22 C23 C24 120.0 . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C25 C24 C23 120.0 . . ?
C25 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
C24 C25 C20 120.0 . . ?
C24 C25 N4 118.6(7) . . ?
C20 C25 N4 121.4(7) . . ?
N4 C26 C19 122.1(11) . . ?
N4 C26 P4 122.6(9) . . ?
C19 C26 P4 113.7(8) . . ?
C19 N3 C20 117.2(10) . . ?
C26 N4 C25 116.8(10) . . ?
C28 C27 C30 108.9(11) . . ?
C28 C27 C29 108.5(12) . . ?
C30 C27 C29 108.5(14) . . ?
C28 C27 P3 113.9(12) . . ?
C30 C27 P3 108.0(10) . . ?
C29 C27 P3 109.0(9) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
P3 C31 H31A 109.5 . . ?
P3 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
P3 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
P4 C32 H32A 109.5 . . ?
P4 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
P4 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C35 C33 C34 109.2(11) . . ?
C35 C33 C36 109.2(14) . . ?
C34 C33 C36 107.5(12) . . ?
C35 C33 P4 108.8(10) . . ?
C34 C33 P4 113.8(13) . . ?
C36 C33 P4 108.3(9) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C31' P3' C19' 98.7(9) . . ?
C31' P3' C27' 104.8(9) . . ?
C19' P3' C27' 100.9(7) . . ?
C31' P3' Rh1 123.5(10) . . ?
C19' P3' Rh1 110.2(5) . . ?
C27' P3' Rh1 115.3(7) . . ?
C26' P4' C32' 98.5(9) . . ?
C26' P4' C33' 102.2(8) . . ?
C32' P4' C33' 104.4(10) . . ?
C26' P4' Rh1 110.5(6) . . ?
C32' P4' Rh1 127.9(12) . . ?
C33' P4' Rh1 110.2(8) . . ?
N3' C19' C26' 120.4(11) . . ?
N3' C19' P3' 122.3(10) . . ?
C26' C19' P3' 114.5(9) . . ?
N3' C20' C21' 118.5(8) . . ?
N3' C20' C25' 121.5(8) . . ?
C21' C20' C25' 120.0 . . ?
C22' C21' C20' 120.0 . . ?
C22' C21' H21' 120.0 . . ?
C20' C21' H21' 120.0 . . ?
C21' C22' C23' 120.0 . . ?
C21' C22' H22' 120.0 . . ?
C23' C22' H22' 120.0 . . ?
C24' C23' C22' 120.0 . . ?
C24' C23' H23' 120.0 . . ?
C22' C23' H23' 120.0 . . ?
C23' C24' C25' 120.0 . . ?
C23' C24' H24' 120.0 . . ?
C25' C24' H24' 120.0 . . ?
C24' C25' C20' 120.0 . . ?
C24' C25' N4' 118.4(8) . . ?
C20' C25' N4' 121.6(8) . . ?
N4' C26' C19' 121.1(12) . . ?
N4' C26' P4' 124.2(10) . . ?
C19' C26' P4' 113.4(9) . . ?
C19' N3' C20' 117.6(11) . . ?
C26' N4' C25' 117.8(11) . . ?
C28' C27' C30' 109.2(13) . . ?
C28' C27' C29' 108.4(14) . . ?
C30' C27' C29' 107.7(15) . . ?
C28' C27' P3' 114.2(14) . . ?
C30' C27' P3' 108.3(11) . . ?
C29' C27' P3' 108.9(11) . . ?
C27' C28' H28D 109.5 . . ?
C27' C28' H28E 109.5 . . ?
H28D C28' H28E 109.5 . . ?
C27' C28' H28F 109.5 . . ?
H28D C28' H28F 109.5 . . ?
H28E C28' H28F 109.5 . . ?
C27' C29' H29D 109.5 . . ?
C27' C29' H29E 109.5 . . ?
H29D C29' H29E 109.5 . . ?
C27' C29' H29F 109.5 . . ?
H29D C29' H29F 109.5 . . ?
H29E C29' H29F 109.5 . . ?
C27' C30' H30D 109.5 . . ?
C27' C30' H30E 109.5 . . ?
H30D C30' H30E 109.5 . . ?
C27' C30' H30F 109.5 . . ?
H30D C30' H30F 109.5 . . ?
H30E C30' H30F 109.5 . . ?
P3' C31' H31D 109.5 . . ?
P3' C31' H31E 109.5 . . ?
H31D C31' H31E 109.5 . . ?
P3' C31' H31F 109.5 . . ?
H31D C31' H31F 109.5 . . ?
H31E C31' H31F 109.5 . . ?
P4' C32' H32D 109.5 . . ?
P4' C32' H32E 109.5 . . ?
H32D C32' H32E 109.5 . . ?
P4' C32' H32F 109.5 . . ?
H32D C32' H32F 109.5 . . ?
H32E C32' H32F 109.5 . . ?
C35' C33' C34' 109.1(13) . . ?
C35' C33' C36' 109.2(16) . . ?
C34' C33' C36' 107.9(13) . . ?
C35' C33' P4' 108.4(11) . . ?
C34' C33' P4' 113.6(14) . . ?
C36' C33' P4' 108.6(11) . . ?
C33' C34' H34D 109.5 . . ?
C33' C34' H34E 109.5 . . ?
H34D C34' H34E 109.5 . . ?
C33' C34' H34F 109.5 . . ?
H34D C34' H34F 109.5 . . ?
H34E C34' H34F 109.5 . . ?
C33' C35' H35D 109.5 . . ?
C33' C35' H35E 109.5 . . ?
H35D C35' H35E 109.5 . . ?
C33' C35' H35F 109.5 . . ?
H35D C35' H35F 109.5 . . ?
H35E C35' H35F 109.5 . . ?
C33' C36' H36D 109.5 . . ?
C33' C36' H36E 109.5 . . ?
H36D C36' H36E 109.5 . . ?
C33' C36' H36F 109.5 . . ?
H36D C36' H36F 109.5 . . ?
H36E C36' H36F 109.5 . . ?
C19" P3" C31" 99.0(11) . . ?
C19" P3" C27" 101.1(10) . . ?
C31" P3" C27" 104.2(12) . . ?
C19" P3" Rh1 111.1(8) . . ?
C31" P3" Rh1 126.6(17) . . ?
C27" P3" Rh1 111.6(11) . . ?
C26" P4" C32" 98.6(11) . . ?
C26" P4" C33" 101.1(10) . . ?
C32" P4" C33" 104.4(11) . . ?
C26" P4" Rh1 111.4(7) . . ?
C32" P4" Rh1 123.0(12) . . ?
C33" P4" Rh1 115.2(9) . . ?
N3" C19" C26" 119.9(13) . . ?
N3" C19" P3" 124.5(12) . . ?
C26" C19" P3" 115.4(11) . . ?
N3" C20" C21" 118.4(12) . . ?
N3" C20" C25" 121.5(11) . . ?
C21" C20" C25" 120.0(11) . . ?
C22" C21" C20" 119.3(13) . . ?
C22" C21" H21" 120.3 . . ?
C20" C21" H21" 120.3 . . ?
C21" C22" C23" 120.6(13) . . ?
C21" C22" H22" 119.7 . . ?
C23" C22" H22" 119.7 . . ?
C24" C23" C22" 120.1(13) . . ?
C24" C23" H23" 119.9 . . ?
C22" C23" H23" 119.9 . . ?
C23" C24" C25" 119.5(13) . . ?
C23" C24" H24" 120.3 . . ?
C25" C24" H24" 120.3 . . ?
N4" C25" C24" 118.8(12) . . ?
N4" C25" C20" 121.1(11) . . ?
C24" C25" C20" 120.1(11) . . ?
N4" C26" C19" 121.2(13) . . ?
N4" C26" P4" 123.4(12) . . ?
C19" C26" P4" 114.0(11) . . ?
C19" N3" C20" 117.9(13) . . ?
C26" N4" C25" 117.9(13) . . ?
C28" C27" C30" 108.9(14) . . ?
C28" C27" C29" 108.7(15) . . ?
C30" C27" C29" 108.5(17) . . ?
C28" C27" P3" 113.8(15) . . ?
C30" C27" P3" 108.1(13) . . ?
C29" C27" P3" 108.7(12) . . ?
C27" C28" H28G 109.5 . . ?
C27" C28" H28H 109.5 . . ?
H28G C28" H28H 109.5 . . ?
C27" C28" H28I 109.5 . . ?
H28G C28" H28I 109.5 . . ?
H28H C28" H28I 109.5 . . ?
C27" C29" H29G 109.5 . . ?
C27" C29" H29H 109.5 . . ?
H29G C29" H29H 109.5 . . ?
C27" C29" H29I 109.5 . . ?
H29G C29" H29I 109.5 . . ?
H29H C29" H29I 109.5 . . ?
C27" C30" H30G 109.5 . . ?
C27" C30" H30H 109.5 . . ?
H30G C30" H30H 109.5 . . ?
C27" C30" H30I 109.5 . . ?
H30G C30" H30I 109.5 . . ?
H30H C30" H30I 109.5 . . ?
P3" C31" H31G 109.5 . . ?
P3" C31" H31H 109.5 . . ?
H31G C31" H31H 109.5 . . ?
P3" C31" H31I 109.5 . . ?
H31G C31" H31I 109.5 . . ?
H31H C31" H31I 109.5 . . ?
P4" C32" H32G 109.5 . . ?
P4" C32" H32H 109.5 . . ?
H32G C32" H32H 109.5 . . ?
P4" C32" H32I 109.5 . . ?
H32G C32" H32I 109.5 . . ?
H32H C32" H32I 109.5 . . ?
C35" C33" C34" 109.7(14) . . ?
C35" C33" C36" 109.0(17) . . ?
C34" C33" C36" 107.6(15) . . ?
C35" C33" P4" 108.6(13) . . ?
C34" C33" P4" 113.7(16) . . ?
C36" C33" P4" 108.2(12) . . ?
C33" C34" H34G 109.5 . . ?
C33" C34" H34H 109.5 . . ?
H34G C34" H34H 109.5 . . ?
C33" C34" H34I 109.5 . . ?
H34G C34" H34I 109.5 . . ?
H34H C34" H34I 109.5 . . ?
C33" C35" H35G 109.5 . . ?
C33" C35" H35H 109.5 . . ?
H35G C35" H35H 109.5 . . ?
C33" C35" H35I 109.5 . . ?
H35G C35" H35I 109.5 . . ?
H35H C35" H35I 109.5 . . ?
C33" C36" H36G 109.5 . . ?
C33" C36" H36H 109.5 . . ?
H36G C36" H36H 109.5 . . ?
C33" C36" H36I 109.5 . . ?
H36G C36" H36I 109.5 . . ?
H36H C36" H36I 109.5 . . ?
C2 N1 C3 115.5(6) . . ?
C1 N2 C8 115.0(6) . . ?
C13 P1 C2 101.4(3) . . ?
C13 P1 C9 104.6(3) . . ?
C2 P1 C9 99.9(3) . . ?
C13 P1 Rh1 126.7(2) . . ?
C2 P1 Rh1 109.5(2) . . ?
C9 P1 Rh1 111.1(2) . . ?
C18 P2 C1 101.2(3) . . ?
C18 P2 C14 104.5(3) . . ?
C1 P2 C14 99.5(3) . . ?
C18 P2 Rh1 127.0(3) . . ?
C1 P2 Rh1 109.6(2) . . ?
C14 P2 Rh1 111.4(2) . . ?
F4B B1B F2B 107.4(8) . . ?
F4B B1B F3B 108.6(9) . . ?
F2B B1B F3B 115.2(8) . . ?
F4B B1B F1B 111.3(7) . . ?
F2B B1B F1B 107.6(9) . . ?
F3B B1B F1B 106.7(8) . . ?
Cl1S C1S Cl2S 119(2) . . ?
Cl1S C1S H1S1 107.5 . . ?
Cl2S C1S H1S1 107.5 . . ?
Cl1S C1S H1S2 107.5 . . ?
Cl2S C1S H1S2 107.5 . . ?
H1S1 C1S H1S2 107.0 . . ?
Cl3S C1S' Cl4S 119(2) . . ?
Cl3S C1S' H1S3 107.6 . . ?
Cl4S C1S' H1S3 107.6 . . ?
Cl3S C1S' H1S4 107.6 . . ?
Cl4S C1S' H1S4 107.6 . . ?
H1S3 C1S' H1S4 107.0 . . ?

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
N2 C1 C2 N1 7.8(12) . . . . ?
P2 C1 C2 N1 -168.3(5) . . . . ?
N2 C1 C2 P1 -168.2(6) . . . . ?
P2 C1 C2 P1 15.7(8) . . . . ?
N1 C3 C4 C5 179.6(8) . . . . ?
C8 C3 C4 C5 2.6(14) . . . . ?
C3 C4 C5 C6 -3.1(16) . . . . ?
C4 C5 C6 C7 3.6(17) . . . . ?
C5 C6 C7 C8 -3.4(15) . . . . ?
N1 C3 C8 N2 4.0(13) . . . . ?
C4 C3 C8 N2 -179.2(8) . . . . ?
N1 C3 C8 C7 -179.4(7) . . . . ?
C4 C3 C8 C7 -2.5(13) . . . . ?
C6 C7 C8 N2 179.7(8) . . . . ?
C6 C7 C8 C3 2.9(13) . . . . ?
C31 P3 C19 N3 36.1(12) . . . . ?
C27 P3 C19 N3 -69.9(10) . . . . ?
Rh1 P3 C19 N3 173.4(7) . . . . ?
C31 P3 C19 C26 -158.5(11) . . . . ?
C27 P3 C19 C26 95.4(9) . . . . ?
Rh1 P3 C19 C26 -21.2(8) . . . . ?
N3 C20 C21 C22 179.8(4) . . . . ?
C25 C20 C21 C22 0.0 . . . . ?
C20 C21 C22 C23 0.0 . . . . ?
C21 C22 C23 C24 0.0 . . . . ?
C22 C23 C24 C25 0.0 . . . . ?
C23 C24 C25 C20 0.0 . . . . ?
C23 C24 C25 N4 179.7(4) . . . . ?
N3 C20 C25 C24 -179.7(4) . . . . ?
C21 C20 C25 C24 0.0 . . . . ?
N3 C20 C25 N4 0.6(6) . . . . ?
C21 C20 C25 N4 -179.7(4) . . . . ?
N3 C19 C26 N4 0.4(10) . . . . ?
P3 C19 C26 N4 -165.4(9) . . . . ?
N3 C19 C26 P4 -165.6(8) . . . . ?
P3 C19 C26 P4 28.6(9) . . . . ?
C32 P4 C26 N4 36.4(13) . . . . ?
C33 P4 C26 N4 -69.8(11) . . . . ?
Rh1 P4 C26 N4 171.2(8) . . . . ?
C32 P4 C26 C19 -157.7(10) . . . . ?
C33 P4 C26 C19 96.1(8) . . . . ?
Rh1 P4 C26 C19 -22.9(8) . . . . ?
C26 C19 N3 C20 0.0(8) . . . . ?
P3 C19 N3 C20 164.7(9) . . . . ?
C21 C20 N3 C19 179.8(4) . . . . ?
C25 C20 N3 C19 -0.4(8) . . . . ?
C19 C26 N4 C25 -0.2(10) . . . . ?
P4 C26 N4 C25 164.5(9) . . . . ?
C24 C25 N4 C26 -179.9(5) . . . . ?
C20 C25 N4 C26 -0.2(9) . . . . ?
C19 P3 C27 C28 61.1(13) . . . . ?
C31 P3 C27 C28 -40.9(15) . . . . ?
Rh1 P3 C27 C28 176.7(11) . . . . ?
C19 P3 C27 C30 -177.8(12) . . . . ?
C31 P3 C27 C30 80.1(15) . . . . ?
Rh1 P3 C27 C30 -62.3(12) . . . . ?
C19 P3 C27 C29 -60.1(13) . . . . ?
C31 P3 C27 C29 -162.2(15) . . . . ?
Rh1 P3 C27 C29 55.4(13) . . . . ?
C26 P4 C33 C35 -178.7(13) . . . . ?
C32 P4 C33 C35 79.5(16) . . . . ?
Rh1 P4 C33 C35 -61.7(13) . . . . ?
C26 P4 C33 C34 59.3(13) . . . . ?
C32 P4 C33 C34 -42.5(15) . . . . ?
Rh1 P4 C33 C34 176.3(11) . . . . ?
C26 P4 C33 C36 -60.2(13) . . . . ?
C32 P4 C33 C36 -161.9(15) . . . . ?
Rh1 P4 C33 C36 56.8(13) . . . . ?
C31' P3' C19' N3' 40.0(13) . . . . ?
C27' P3' C19' N3' -67.0(11) . . . . ?
Rh1 P3' C19' N3' 170.6(7) . . . . ?
C31' P3' C19' C26' -159.0(11) . . . . ?
C27' P3' C19' C26' 94.0(9) . . . . ?
Rh1 P3' C19' C26' -28.3(9) . . . . ?
N3' C20' C21' C22' 179.8(4) . . . . ?
C25' C20' C21' C22' 0.0 . . . . ?
C20' C21' C22' C23' 0.0 . . . . ?
C21' C22' C23' C24' 0.0 . . . . ?
C22' C23' C24' C25' 0.0 . . . . ?
C23' C24' C25' C20' 0.0 . . . . ?
C23' C24' C25' N4' 179.8(4) . . . . ?
N3' C20' C25' C24' -179.8(4) . . . . ?
C21' C20' C25' C24' 0.0 . . . . ?
N3' C20' C25' N4' 0.4(6) . . . . ?
C21' C20' C25' N4' -179.8(4) . . . . ?
N3' C19' C26' N4' 0.1(10) . . . . ?
P3' C19' C26' N4' -161.4(10) . . . . ?
N3' C19' C26' P4' -167.5(9) . . . . ?
P3' C19' C26' P4' 31.1(10) . . . . ?
C32' P4' C26' N4' 36.8(15) . . . . ?
C33' P4' C26' N4' -70.0(12) . . . . ?
Rh1 P4' C26' N4' 172.7(8) . . . . ?
C32' P4' C26' C19' -156.1(12) . . . . ?
C33' P4' C26' C19' 97.0(10) . . . . ?
Rh1 P4' C26' C19' -20.2(10) . . . . ?
C26' C19' N3' C20' 0.1(9) . . . . ?
P3' C19' N3' C20' 160.1(9) . . . . ?
C21' C20' N3' C19' 179.9(4) . . . . ?
C25' C20' N3' C19' -0.3(8) . . . . ?
C19' C26' N4' C25' 0.0(11) . . . . ?
P4' C26' N4' C25' 166.1(10) . . . . ?
C24' C25' N4' C26' 180.0(6) . . . . ?
C20' C25' N4' C26' -0.2(9) . . . . ?
C31' P3' C27' C28' -42.5(17) . . . . ?
C19' P3' C27' C28' 59.7(15) . . . . ?
Rh1 P3' C27' C28' 178.4(13) . . . . ?
C31' P3' C27' C30' 79.4(17) . . . . ?
C19' P3' C27' C30' -178.5(14) . . . . ?
Rh1 P3' C27' C30' -59.8(15) . . . . ?
C31' P3' C27' C29' -163.8(17) . . . . ?
C19' P3' C27' C29' -61.6(15) . . . . ?
Rh1 P3' C27' C29' 57.1(15) . . . . ?
C26' P4' C33' C35' -178.7(15) . . . . ?
C32' P4' C33' C35' 79.1(18) . . . . ?
Rh1 P4' C33' C35' -61.3(16) . . . . ?
C26' P4' C33' C34' 59.8(16) . . . . ?
C32' P4' C33' C34' -42.4(18) . . . . ?
Rh1 P4' C33' C34' 177.3(14) . . . . ?
C26' P4' C33' C36' -60.2(15) . . . . ?
C32' P4' C33' C36' -162.4(17) . . . . ?
Rh1 P4' C33' C36' 57.3(15) . . . . ?
C31" P3" C19" N3" 34(3) . . . . ?
C27" P3" C19" N3" -72(3) . . . . ?
Rh1 P3" C19" N3" 169(3) . . . . ?
C31" P3" C19" C26" -151(2) . . . . ?
C27" P3" C19" C26" 102(2) . . . . ?
Rh1 P3" C19" C26" -16(2) . . . . ?
N3" C20" C21" C22" -176(3) . . . . ?
C25" C20" C21" C22" -1(5) . . . . ?
C20" C21" C22" C23" -3(5) . . . . ?
C21" C22" C23" C24" 2(6) . . . . ?
C22" C23" C24" C25" 3(6) . . . . ?
C23" C24" C25" N4" 174(3) . . . . ?
C23" C24" C25" C20" -7(5) . . . . ?
N3" C20" C25" N4" 1(5) . . . . ?
C21" C20" C25" N4" -175(3) . . . . ?
N3" C20" C25" C24" -178(3) . . . . ?
C21" C20" C25" C24" 6(5) . . . . ?
N3" C19" C26" N4" 7(5) . . . . ?
P3" C19" C26" N4" -167(2) . . . . ?
N3" C19" C26" P4" -159(3) . . . . ?
P3" C19" C26" P4" 26(3) . . . . ?
C32" P4" C26" N4" 39(3) . . . . ?
C33" P4" C26" N4" -68(3) . . . . ?
Rh1 P4" C26" N4" 169(2) . . . . ?
C32" P4" C26" C19" -155(2) . . . . ?
C33" P4" C26" C19" 98(2) . . . . ?
Rh1 P4" C26" C19" -25(2) . . . . ?
C26" C19" N3" C20" -8(5) . . . . ?
P3" C19" N3" C20" 167(2) . . . . ?
C21" C20" N3" C19" 180(3) . . . . ?
C25" C20" N3" C19" 4(5) . . . . ?
C19" C26" N4" C25" -3(4) . . . . ?
P4" C26" N4" C25" 163(2) . . . . ?
C24" C25" N4" C26" 178(3) . . . . ?
C20" C25" N4" C26" -1(5) . . . . ?
C19" P3" C27" C28" 60(2) . . . . ?
C31" P3" C27" C28" -42(2) . . . . ?
Rh1 P3" C27" C28" 178.3(18) . . . . ?
C19" P3" C27" C30" -179(2) . . . . ?
C31" P3" C27" C30" 79(2) . . . . ?
Rh1 P3" C27" C30" -60.6(19) . . . . ?
C19" P3" C27" C29" -61(2) . . . . ?
C31" P3" C27" C29" -163(2) . . . . ?
Rh1 P3" C27" C29" 57.0(19) . . . . ?
C26" P4" C33" C35" 179.7(18) . . . . ?
C32" P4" C33" C35" 78(2) . . . . ?
Rh1 P4" C33" C35" -60.2(18) . . . . ?
C26" P4" C33" C34" 57.2(18) . . . . ?
C32" P4" C33" C34" -45(2) . . . . ?
Rh1 P4" C33" C34" 177.4(16) . . . . ?
C26" P4" C33" C36" -62.2(18) . . . . ?
C32" P4" C33" C36" -164(2) . . . . ?
Rh1 P4" C33" C36" 58.0(18) . . . . ?
C1 C2 N1 C3 -4.6(11) . . . . ?
P1 C2 N1 C3 171.3(5) . . . . ?
C8 C3 N1 C2 -1.0(11) . . . . ?
C4 C3 N1 C2 -177.9(7) . . . . ?
C2 C1 N2 C8 -4.5(11) . . . . ?
P2 C1 N2 C8 171.5(5) . . . . ?
C3 C8 N2 C1 -1.1(11) . . . . ?
C7 C8 N2 C1 -177.7(7) . . . . ?
N1 C2 P1 C13 35.7(7) . . . . ?
C1 C2 P1 C13 -148.2(6) . . . . ?
N1 C2 P1 C9 -71.6(6) . . . . ?
C1 C2 P1 C9 104.5(6) . . . . ?
N1 C2 P1 Rh1 171.7(5) . . . . ?
C1 C2 P1 Rh1 -12.2(6) . . . . ?
C11 C9 P1 C13 76.9(7) . . . . ?
C10 C9 P1 C13 -163.1(5) . . . . ?
C12 C9 P1 C13 -42.8(7) . . . . ?
C11 C9 P1 C2 -178.4(6) . . . . ?
C10 C9 P1 C2 -58.4(6) . . . . ?
C12 C9 P1 C2 61.8(6) . . . . ?
C11 C9 P1 Rh1 -62.9(6) . . . . ?
C10 C9 P1 Rh1 57.2(6) . . . . ?
C12 C9 P1 Rh1 177.4(5) . . . . ?
N2 C1 P2 C18 35.6(7) . . . . ?
C2 C1 P2 C18 -148.1(6) . . . . ?
N2 C1 P2 C14 -71.4(6) . . . . ?
C2 C1 P2 C14 104.9(6) . . . . ?
N2 C1 P2 Rh1 171.8(5) . . . . ?
C2 C1 P2 Rh1 -11.9(6) . . . . ?

_refine_diff_density_max         1.493
_refine_diff_density_min         -0.734
_refine_diff_density_rms         0.106
####################################################################### 
# 
# 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_acm581_hklf4
_database_code_depnum_ccdc_archive 'CCDC 1951662'
loop_
_audit_author_name
_audit_author_address
'Eduardo Carmelo Escudero-Adan' ICIQ
_audit_update_record             
;
2019-09-05 deposited with the CCDC.	2020-01-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C27 H42 B Cl2 F4 N2 P2 Rh'
_chemical_formula_weight         717.18

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'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   9.7105(3)
_cell_length_b                   14.3281(4)
_cell_length_c                   11.2851(3)
_cell_angle_alpha                90
_cell_angle_beta                 96.031(3)
_cell_angle_gamma                90
_cell_volume                     1561.45(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    10212
_cell_measurement_theta_min      2.2840
_cell_measurement_theta_max      31.5310

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.525
_exptl_crystal_F_000             736
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    0.865
_shelx_estimated_absorpt_T_min   0.918
_shelx_estimated_absorpt_T_max   0.934
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.718
_exptl_absorpt_correction_T_max  0.934
_exptl_absorpt_process_details   
; 
 CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)
;
_exptl_special_details           
; 
 It should be noted that the esd's of the cell dimensions are probably too low;
 they should be multiplied by a factor of 2 to 10
;
_diffrn_ambient_temperature      100(2)
_diffrn_measurement_specimen_support 'magnetic support with MicroMount'
_diffrn_radiation_wavelength     0.7107
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Microfocus rotating anode X-ray tube'
_diffrn_source_type              'Rigaku MicroMax-007HF'
_diffrn_source_power             50
_diffrn_source_current           24
_diffrn_source_size              '0.2 mm x 0.2 mm fine focus'
_diffrn_radiation_monochromator  'Confocal Max Flux optic'
_diffrn_detector_type            'PILATUS 200K'
_diffrn_measurement_device_type  '1/4chi goniometer'
_diffrn_measurement_method       
;
 Fullsphere data collection, phi and omega scans
;
_diffrn_detector_area_resol_mean 5.8140
_diffrn_reflns_number            14160
_diffrn_reflns_av_unetI/netI     0.0368
_diffrn_reflns_av_R_equivalents  0.0403
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         1.815
_diffrn_reflns_theta_max         25.349
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_point_group_measured_fraction_full 0.982
_reflns_number_total             5599
_reflns_number_gt                5389
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.886
_reflns_Friedel_fraction_max     0.963
_reflns_Friedel_fraction_full    0.965

_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       'CrysAlisPro 1.171.39.12b (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.12b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.12b (Rigaku OD, 2015)'
_computing_structure_solution    Sir2014
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'
_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     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 2383 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.022(18)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         5599
_refine_ls_number_parameters     360
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0533
_refine_ls_R_factor_gt           0.0514
_refine_ls_wR_factor_ref         0.1682
_refine_ls_wR_factor_gt          0.1669
_refine_ls_goodness_of_fit_ref   1.443
_refine_ls_restrained_S_all      1.443
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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 0.34411(7) 0.36176(5) 0.22660(6) 0.0162(2) Uani 1 1 d . . . . .
N1 N 0.7444(9) 0.5384(6) 0.2708(8) 0.0171(17) Uani 1 1 d . . . . .
P1 P 0.5730(3) 0.38739(16) 0.2159(2) 0.0150(6) Uani 1 1 d . . . . .
C1 C 0.6152(11) 0.5077(7) 0.2549(8) 0.0157(19) Uani 1 1 d . . . . .
P2 P 0.3333(3) 0.51551(18) 0.2689(2) 0.0155(5) Uani 1 1 d . . . . .
N2 N 0.5129(9) 0.6630(6) 0.2591(7) 0.0174(17) Uani 1 1 d . . . . .
C2 C 0.4988(10) 0.5704(7) 0.2568(9) 0.016(2) Uani 1 1 d . . . . .
C3 C 0.6471(10) 0.6946(8) 0.2680(8) 0.017(2) Uani 1 1 d . . . . .
C9 C 0.3143(10) 0.5388(8) 0.4309(9) 0.019(2) Uani 1 1 d . . . . .
C8 C 0.7606(11) 0.6332(7) 0.2825(9) 0.021(2) Uani 1 1 d . . . . .
C7 C 0.8953(12) 0.6703(9) 0.3047(10) 0.026(3) Uani 1 1 d . . . . .
H7 H 0.970406 0.629936 0.317063 0.032 Uiso 1 1 calc R U . . .
C6 C 0.9175(12) 0.7649(8) 0.3083(10) 0.027(2) Uani 1 1 d . . . . .
H6 H 1.006742 0.788588 0.323435 0.033 Uiso 1 1 calc R U . . .
C5 C 0.8020(11) 0.8264(8) 0.2885(9) 0.023(2) Uani 1 1 d . . . . .
H5 H 0.815961 0.890619 0.288101 0.028 Uiso 1 1 calc R U . . .
C4 C 0.6726(12) 0.7917(8) 0.2705(8) 0.021(2) Uani 1 1 d . . . . .
H4 H 0.598158 0.832691 0.259404 0.026 Uiso 1 1 calc R U . . .
C10 C 0.1833(12) 0.4916(7) 0.4650(9) 0.024(2) Uani 1 1 d . . . . .
H10A H 0.163468 0.513589 0.541735 0.036 Uiso 1 1 calc R U . . .
H10B H 0.196868 0.425217 0.467999 0.036 Uiso 1 1 calc R U . . .
H10C H 0.107131 0.506201 0.406699 0.036 Uiso 1 1 calc R U . . .
C11 C 0.3103(12) 0.6401(8) 0.4604(9) 0.024(2) Uani 1 1 d . . . . .
H11A H 0.289522 0.647601 0.541137 0.036 Uiso 1 1 calc R U . . .
H11B H 0.240143 0.670296 0.407516 0.036 Uiso 1 1 calc R U . . .
H11C H 0.398711 0.667742 0.451442 0.036 Uiso 1 1 calc R U . . .
C12 C 0.4391(11) 0.4917(8) 0.5055(9) 0.023(2) Uani 1 1 d . . . . .
H12A H 0.421989 0.489436 0.587694 0.034 Uiso 1 1 calc R U . . .
H12B H 0.521660 0.527180 0.498081 0.034 Uiso 1 1 calc R U . . .
H12C H 0.450788 0.429448 0.476767 0.034 Uiso 1 1 calc R U . . .
Cl1S Cl 0.8385(3) 0.4682(2) 0.5396(2) 0.0284(6) Uani 1 1 d . . . . .
C19 C 0.3509(12) 0.2246(9) 0.3169(10) 0.026(2) Uani 1 1 d . . . . .
H19 H 0.439748 0.211697 0.363531 0.031 Uiso 1 1 calc R U . . .
C18 C 0.7064(11) 0.3201(8) 0.2996(9) 0.023(2) Uani 1 1 d . . . . .
H18A H 0.795518 0.344849 0.286800 0.035 Uiso 1 1 calc R U . . .
H18B H 0.700421 0.256246 0.273676 0.035 Uiso 1 1 calc R U . . .
H18C H 0.694434 0.323243 0.382842 0.035 Uiso 1 1 calc R U . . .
C17 C 0.7703(12) 0.3958(9) 0.0511(10) 0.031(3) Uani 1 1 d . . . . .
H17A H 0.791628 0.387077 -0.029304 0.046 Uiso 1 1 calc R U . . .
H17B H 0.818695 0.350059 0.101797 0.046 Uiso 1 1 calc R U . . .
H17C H 0.798439 0.457201 0.077785 0.046 Uiso 1 1 calc R U . . .
C16 C 0.5723(12) 0.2864(8) 0.0050(9) 0.022(2) Uani 1 1 d . . . . .
H16A H 0.591122 0.282945 -0.076704 0.033 Uiso 1 1 calc R U . . .
H16B H 0.475354 0.276174 0.009836 0.033 Uiso 1 1 calc R U . . .
H16C H 0.624982 0.239518 0.050525 0.033 Uiso 1 1 calc R U . . .
C15 C 0.5348(13) 0.4593(9) -0.0142(10) 0.029(3) Uani 1 1 d . . . . .
H15A H 0.570121 0.465933 -0.090116 0.044 Uiso 1 1 calc R U . . .
H15B H 0.545049 0.517304 0.028377 0.044 Uiso 1 1 calc R U . . .
H15C H 0.438646 0.442601 -0.026091 0.044 Uiso 1 1 calc R U . . .
C14 C 0.6137(10) 0.3848(7) 0.0560(9) 0.021(2) Uani 1 1 d . . . . .
C13 C 0.2125(11) 0.5916(7) 0.1830(9) 0.020(2) Uani 1 1 d . . . . .
H13A H 0.228609 0.654967 0.208512 0.030 Uiso 1 1 calc R U . . .
H13B H 0.119525 0.573991 0.194888 0.030 Uiso 1 1 calc R U . . .
H13C H 0.225069 0.586332 0.100050 0.030 Uiso 1 1 calc R U . . .
F1S F 1.1853(8) 0.4987(5) 0.9136(6) 0.0373(17) Uani 1 1 d . . . . .
B1S B 1.1770(13) 0.5702(9) 0.8316(12) 0.026(3) Uani 1 1 d . . . . .
C1S C 0.7926(13) 0.4588(8) 0.6853(9) 0.029(3) Uani 1 1 d . . . . .
H1SA H 0.735738 0.511804 0.702385 0.035 Uiso 1 1 calc R U . . .
H1SB H 0.875640 0.459956 0.741175 0.035 Uiso 1 1 calc R U . . .
Cl2S Cl 0.7006(3) 0.3545(2) 0.7041(2) 0.0282(6) Uani 1 1 d . . . . .
C26 C 0.2318(12) 0.2245(8) 0.3893(10) 0.026(2) Uani 1 1 d . . . . .
H26A H 0.255662 0.262357 0.459683 0.032 Uiso 1 1 calc R U . . .
H26B H 0.217220 0.161165 0.415724 0.032 Uiso 1 1 calc R U . . .
C25 C 0.0934(11) 0.2615(7) 0.3237(9) 0.020(2) Uani 1 1 d . . . . .
H25A H 0.047704 0.211041 0.277727 0.024 Uiso 1 1 calc R U . . .
H25B H 0.033237 0.280803 0.382586 0.024 Uiso 1 1 calc R U . . .
C24 C 0.1127(10) 0.3442(6) 0.2398(9) 0.019(2) Uani 1 1 d . . . . .
H24 H 0.066609 0.401554 0.261717 0.022 Uiso 1 1 calc R U . . .
C23 C 0.1369(10) 0.3410(8) 0.1243(9) 0.025(3) Uani 1 1 d . . . . .
H23 H 0.103789 0.396801 0.079898 0.031 Uiso 1 1 calc R U . . .
C22 C 0.1473(14) 0.2594(8) 0.0470(10) 0.029(3) Uani 1 1 d . . . . .
H22A H 0.197640 0.276993 -0.019397 0.035 Uiso 1 1 calc R U . . .
H22B H 0.054890 0.240648 0.014879 0.035 Uiso 1 1 calc R U . . .
C21 C 0.2218(11) 0.1741(7) 0.1129(9) 0.022(2) Uani 1 1 d . . . . .
H21A H 0.157580 0.142891 0.159955 0.027 Uiso 1 1 calc R U . . .
H21B H 0.248519 0.129975 0.054233 0.027 Uiso 1 1 calc R U . . .
C20 C 0.3503(12) 0.2031(7) 0.1943(11) 0.022(2) Uani 1 1 d . . . . .
H20 H 0.438201 0.179301 0.171003 0.026 Uiso 1 1 calc R U . . .
F3S F 1.0734(8) 0.5524(6) 0.7412(6) 0.0378(18) Uani 1 1 d . . . . .
F4S F 1.3042(7) 0.5786(6) 0.7827(7) 0.0415(18) Uani 1 1 d . . . . .
F2S F 1.1486(8) 0.6531(5) 0.8889(6) 0.0338(16) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 C19 2.212(12) . ?
Rh1 C23 2.232(10) . ?
Rh1 P2 2.259(3) . ?
Rh1 P1 2.268(2) . ?
Rh1 C24 2.282(10) . ?
Rh1 C20 2.304(10) . ?
N1 C1 1.324(14) . ?
N1 C8 1.372(14) . ?
P1 C18 1.801(10) . ?
P1 C1 1.816(10) . ?
P1 C14 1.888(10) . ?
C1 C2 1.446(14) . ?
P2 C2 1.807(11) . ?
P2 C13 1.808(10) . ?
P2 C9 1.886(10) . ?
N2 C2 1.334(14) . ?
N2 C3 1.374(13) . ?
C3 C8 1.406(15) . ?
C3 C4 1.412(16) . ?
C9 C11 1.491(15) . ?
C9 C10 1.526(14) . ?
C9 C12 1.555(13) . ?
C8 C7 1.409(16) . ?
C7 C6 1.373(17) . ?
C7 H7 0.9300 . ?
C6 C5 1.425(17) . ?
C6 H6 0.9300 . ?
C5 C4 1.346(15) . ?
C5 H5 0.9300 . ?
C4 H4 0.9300 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
Cl1S C1S 1.754(10) . ?
C19 C20 1.416(16) . ?
C19 C26 1.484(17) . ?
C19 H19 0.9800 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C17 C14 1.536(15) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C16 C14 1.559(15) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C15 C14 1.492(16) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
F1S B1S 1.376(15) . ?
B1S F3S 1.379(15) . ?
B1S F2S 1.393(15) . ?
B1S F4S 1.410(15) . ?
C1S Cl2S 1.766(11) . ?
C1S H1SA 0.9700 . ?
C1S H1SB 0.9700 . ?
C26 C25 1.558(15) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C25 C24 1.539(13) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C24 C23 1.350(15) . ?
C24 H24 0.9800 . ?
C23 C22 1.468(15) . ?
C23 H23 0.9800 . ?
C22 C21 1.568(16) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C21 C20 1.527(16) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C20 H20 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
C19 Rh1 C23 95.8(4) . . ?
C19 Rh1 P2 140.3(3) . . ?
C23 Rh1 P2 100.4(3) . . ?
C19 Rh1 P1 100.7(3) . . ?
C23 Rh1 P1 146.0(3) . . ?
P2 Rh1 P1 85.46(9) . . ?
C19 Rh1 C24 81.6(4) . . ?
C23 Rh1 C24 34.8(4) . . ?
P2 Rh1 C24 91.5(2) . . ?
P1 Rh1 C24 176.9(2) . . ?
C19 Rh1 C20 36.5(4) . . ?
C23 Rh1 C20 79.9(4) . . ?
P2 Rh1 C20 176.6(3) . . ?
P1 Rh1 C20 96.3(3) . . ?
C24 Rh1 C20 86.8(4) . . ?
C1 N1 C8 116.1(9) . . ?
C18 P1 C1 104.5(5) . . ?
C18 P1 C14 106.2(5) . . ?
C1 P1 C14 100.7(4) . . ?
C18 P1 Rh1 122.7(4) . . ?
C1 P1 Rh1 109.8(3) . . ?
C14 P1 Rh1 110.6(3) . . ?
N1 C1 C2 121.6(9) . . ?
N1 C1 P1 122.4(7) . . ?
C2 C1 P1 115.8(8) . . ?
C2 P2 C13 103.3(5) . . ?
C2 P2 C9 100.1(5) . . ?
C13 P2 C9 106.8(5) . . ?
C2 P2 Rh1 110.3(3) . . ?
C13 P2 Rh1 121.1(4) . . ?
C9 P2 Rh1 112.9(3) . . ?
C2 N2 C3 115.1(9) . . ?
N2 C2 C1 122.6(9) . . ?
N2 C2 P2 121.4(7) . . ?
C1 C2 P2 115.7(8) . . ?
N2 C3 C8 121.9(10) . . ?
N2 C3 C4 119.3(10) . . ?
C8 C3 C4 118.7(10) . . ?
C11 C9 C10 109.5(8) . . ?
C11 C9 C12 109.8(9) . . ?
C10 C9 C12 107.1(8) . . ?
C11 C9 P2 113.3(7) . . ?
C10 C9 P2 109.6(7) . . ?
C12 C9 P2 107.3(6) . . ?
N1 C8 C7 119.0(10) . . ?
N1 C8 C3 121.8(9) . . ?
C7 C8 C3 119.1(10) . . ?
C6 C7 C8 121.1(11) . . ?
C6 C7 H7 119.4 . . ?
C8 C7 H7 119.4 . . ?
C7 C6 C5 119.2(10) . . ?
C7 C6 H6 120.4 . . ?
C5 C6 H6 120.4 . . ?
C4 C5 C6 120.1(10) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C4 C3 121.7(11) . . ?
C5 C4 H4 119.1 . . ?
C3 C4 H4 119.1 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C20 C19 C26 127.9(11) . . ?
C20 C19 Rh1 75.3(6) . . ?
C26 C19 Rh1 105.5(8) . . ?
C20 C19 H19 113.4 . . ?
C26 C19 H19 113.4 . . ?
Rh1 C19 H19 113.4 . . ?
P1 C18 H18A 109.5 . . ?
P1 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
P1 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C15 C14 C17 111.2(9) . . ?
C15 C14 C16 110.7(8) . . ?
C17 C14 C16 107.3(9) . . ?
C15 C14 P1 110.3(8) . . ?
C17 C14 P1 109.9(7) . . ?
C16 C14 P1 107.4(7) . . ?
P2 C13 H13A 109.5 . . ?
P2 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
P2 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
F1S B1S F3S 110.3(10) . . ?
F1S B1S F2S 108.8(10) . . ?
F3S B1S F2S 109.6(10) . . ?
F1S B1S F4S 109.6(10) . . ?
F3S B1S F4S 109.1(10) . . ?
F2S B1S F4S 109.5(10) . . ?
Cl1S C1S Cl2S 111.1(6) . . ?
Cl1S C1S H1SA 109.4 . . ?
Cl2S C1S H1SA 109.4 . . ?
Cl1S C1S H1SB 109.4 . . ?
Cl2S C1S H1SB 109.4 . . ?
H1SA C1S H1SB 108.0 . . ?
C19 C26 C25 114.9(9) . . ?
C19 C26 H26A 108.5 . . ?
C25 C26 H26A 108.5 . . ?
C19 C26 H26B 108.5 . . ?
C25 C26 H26B 108.5 . . ?
H26A C26 H26B 107.5 . . ?
C24 C25 C26 113.6(9) . . ?
C24 C25 H25A 108.9 . . ?
C26 C25 H25A 108.9 . . ?
C24 C25 H25B 108.9 . . ?
C26 C25 H25B 108.9 . . ?
H25A C25 H25B 107.7 . . ?
C23 C24 C25 127.8(9) . . ?
C23 C24 Rh1 70.6(6) . . ?
C25 C24 Rh1 108.0(6) . . ?
C23 C24 H24 113.7 . . ?
C25 C24 H24 113.7 . . ?
Rh1 C24 H24 113.7 . . ?
C24 C23 C22 129.1(10) . . ?
C24 C23 Rh1 74.6(6) . . ?
C22 C23 Rh1 107.4(7) . . ?
C24 C23 H23 112.7 . . ?
C22 C23 H23 112.7 . . ?
Rh1 C23 H23 112.7 . . ?
C23 C22 C21 113.3(9) . . ?
C23 C22 H22A 108.9 . . ?
C21 C22 H22A 108.9 . . ?
C23 C22 H22B 108.9 . . ?
C21 C22 H22B 108.9 . . ?
H22A C22 H22B 107.7 . . ?
C20 C21 C22 112.4(9) . . ?
C20 C21 H21A 109.1 . . ?
C22 C21 H21A 109.1 . . ?
C20 C21 H21B 109.1 . . ?
C22 C21 H21B 109.1 . . ?
H21A C21 H21B 107.9 . . ?
C19 C20 C21 124.4(10) . . ?
C19 C20 Rh1 68.2(6) . . ?
C21 C20 Rh1 109.3(7) . . ?
C19 C20 H20 115.1 . . ?
C21 C20 H20 115.1 . . ?
Rh1 C20 H20 115.1 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C8 N1 C1 C2 -3.5(14) . . . . ?
C8 N1 C1 P1 170.7(7) . . . . ?
C18 P1 C1 N1 37.8(9) . . . . ?
C14 P1 C1 N1 -72.2(9) . . . . ?
Rh1 P1 C1 N1 171.1(7) . . . . ?
C18 P1 C1 C2 -147.7(8) . . . . ?
C14 P1 C1 C2 102.3(8) . . . . ?
Rh1 P1 C1 C2 -14.4(8) . . . . ?
C3 N2 C2 C1 -4.3(14) . . . . ?
C3 N2 C2 P2 170.2(7) . . . . ?
N1 C1 C2 N2 8.8(15) . . . . ?
P1 C1 C2 N2 -165.7(8) . . . . ?
N1 C1 C2 P2 -166.0(7) . . . . ?
P1 C1 C2 P2 19.5(10) . . . . ?
C13 P2 C2 N2 38.5(9) . . . . ?
C9 P2 C2 N2 -71.5(9) . . . . ?
Rh1 P2 C2 N2 169.3(7) . . . . ?
C13 P2 C2 C1 -146.6(8) . . . . ?
C9 P2 C2 C1 103.3(8) . . . . ?
Rh1 P2 C2 C1 -15.8(8) . . . . ?
C2 N2 C3 C8 -4.5(13) . . . . ?
C2 N2 C3 C4 179.7(9) . . . . ?
C2 P2 C9 C11 61.5(8) . . . . ?
C13 P2 C9 C11 -45.8(9) . . . . ?
Rh1 P2 C9 C11 178.7(6) . . . . ?
C2 P2 C9 C10 -175.9(7) . . . . ?
C13 P2 C9 C10 76.8(8) . . . . ?
Rh1 P2 C9 C10 -58.7(7) . . . . ?
C2 P2 C9 C12 -59.9(8) . . . . ?
C13 P2 C9 C12 -167.2(7) . . . . ?
Rh1 P2 C9 C12 57.3(8) . . . . ?
C1 N1 C8 C7 177.4(10) . . . . ?
C1 N1 C8 C3 -5.3(14) . . . . ?
N2 C3 C8 N1 9.9(15) . . . . ?
C4 C3 C8 N1 -174.3(9) . . . . ?
N2 C3 C8 C7 -172.8(9) . . . . ?
C4 C3 C8 C7 3.0(14) . . . . ?
N1 C8 C7 C6 175.2(10) . . . . ?
C3 C8 C7 C6 -2.2(17) . . . . ?
C8 C7 C6 C5 -0.4(17) . . . . ?
C7 C6 C5 C4 2.2(16) . . . . ?
C6 C5 C4 C3 -1.3(15) . . . . ?
N2 C3 C4 C5 174.7(9) . . . . ?
C8 C3 C4 C5 -1.3(14) . . . . ?
C18 P1 C14 C15 -163.9(8) . . . . ?
C1 P1 C14 C15 -55.3(8) . . . . ?
Rh1 P1 C14 C15 60.8(8) . . . . ?
C18 P1 C14 C17 -41.0(9) . . . . ?
C1 P1 C14 C17 67.7(8) . . . . ?
Rh1 P1 C14 C17 -176.3(7) . . . . ?
C18 P1 C14 C16 75.4(8) . . . . ?
C1 P1 C14 C16 -176.0(7) . . . . ?
Rh1 P1 C14 C16 -59.9(7) . . . . ?
C20 C19 C26 C25 -38.1(17) . . . . ?
Rh1 C19 C26 C25 45.1(11) . . . . ?
C19 C26 C25 C24 -37.5(14) . . . . ?
C26 C25 C24 C23 87.9(13) . . . . ?
C26 C25 C24 Rh1 8.8(10) . . . . ?
C25 C24 C23 C22 2.0(18) . . . . ?
Rh1 C24 C23 C22 100.2(11) . . . . ?
C25 C24 C23 Rh1 -98.1(10) . . . . ?
C24 C23 C22 C21 -37.8(16) . . . . ?
Rh1 C23 C22 C21 46.3(11) . . . . ?
C23 C22 C21 C20 -42.9(14) . . . . ?
C26 C19 C20 C21 -0.6(19) . . . . ?
Rh1 C19 C20 C21 -99.0(10) . . . . ?
C26 C19 C20 Rh1 98.4(13) . . . . ?
C22 C21 C20 C19 92.4(13) . . . . ?
C22 C21 C20 Rh1 16.2(11) . . . . ?

_refine_diff_density_max         2.116
_refine_diff_density_min         -0.882
_refine_diff_density_rms         0.151

