# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_CEC0076SQ
_database_code_depnum_ccdc_archive 'CCDC 2100808'
loop_
_audit_author_name
_audit_author_address
'Thomas Weyhermueller'
;Max Planck Institute for Chemical Energy Conversion
Germany
;
_audit_update_record             
;
2021-08-02 deposited with the CCDC.	2021-11-08 downloaded from the CCDC.
;

_audit_creation_method           'APEX3 v2019.11-0'
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C33 H48 N4 P2 Rh, F6 Sb'
_chemical_formula_sum            'C33 H48 F6 N4 P2 Rh Sb'
_chemical_formula_weight         901.35

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'
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'
Sb Sb -0.5866 1.5461 '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                   9.3423(5)
_cell_length_b                   36.870(2)
_cell_length_c                   22.4413(12)
_cell_angle_alpha                90
_cell_angle_beta                 91.937(2)
_cell_angle_gamma                90
_cell_volume                     7725.5(7)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9297
_cell_measurement_theta_min      2.445
_cell_measurement_theta_max      30.481

_exptl_crystal_description       needle
_exptl_crystal_colour            'clear intense yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.550
_exptl_crystal_F_000             3632
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_exptl_absorpt_coefficient_mu    1.266
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_absorpt_correction_T_min  0.8574
_exptl_absorpt_correction_T_max  0.9583

_diffrn_ambient_temperature      100(2)

_diffrn_source                   'microfocus sealed tube'
_diffrn_source_type              'INCOATEC I\mS DIAMOND'
_diffrn_source_power             0.07
_diffrn_source_current           1.4
_diffrn_source_voltage           50

_diffrn_radiation_probe          ?
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'multilayer mirror'

_diffrn_measurement_device       'KAPPA diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'ω and φ scans'

_diffrn_detector_area_resol_mean 7.3910

_diffrn_reflns_number            192479
_diffrn_reflns_av_unetI/netI     0.0581
_diffrn_reflns_av_R_equivalents  0.0583
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -51
_diffrn_reflns_limit_k_max       51
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         1.889
_diffrn_reflns_theta_max         30.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             45033
_reflns_number_gt                37789
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.971
_reflns_Friedel_fraction_max     0.999
_reflns_Friedel_fraction_full    0.999

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;

_computing_data_collection       'Bruker Instrument Service vV6.2.14'
_computing_cell_refinement       'APEX3 v2019.11-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.40B (Bruker Nano, Inc., 2019)'
_computing_structure_solution    'SHELXS-2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
'Refined as a 2-component inversion twin.,Twin,SQUEEZE'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0399P)²+10.0318P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.465(15)
_chemical_absolute_configuration unk
_refine_ls_number_reflns         45033
_refine_ls_number_parameters     1764
_refine_ls_number_restraints     1106
_refine_ls_R_factor_all          0.0622
_refine_ls_R_factor_gt           0.0479
_refine_ls_wR_factor_ref         0.1019
_refine_ls_wR_factor_gt          0.0963
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.012
_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 0.30013(5) 0.60917(2) 0.52943(2) 0.01721(10) Uani 1 1 d . . . . .
P1 P 0.16244(18) 0.60204(5) 0.44962(8) 0.0196(3) Uani 1 1 d . U . . .
H1 H 0.148432 0.625704 0.428449 0.024 Uiso 1 1 calc R U . . .
N2 N 0.2443(6) 0.57242(16) 0.4061(3) 0.0235(12) Uani 1 1 d . U . . .
C3 C 0.3720(8) 0.5558(2) 0.4314(4) 0.0368(18) Uani 1 1 d . U . . .
H3A H 0.440984 0.575179 0.442878 0.044 Uiso 1 1 calc R U . . .
H3AB H 0.416151 0.540810 0.400432 0.044 Uiso 1 1 calc R U . . .
C4 C 0.3477(11) 0.5321(3) 0.4858(4) 0.049(2) Uani 1 1 d . U . . .
H4A H 0.294054 0.510234 0.472591 0.058 Uiso 1 1 calc R U . . .
H4AB H 0.442088 0.523997 0.502141 0.058 Uiso 1 1 calc R U . . .
N5 N 0.2690(6) 0.54958(16) 0.5345(3) 0.0316(13) Uani 1 1 d D U . . .
C6 C 0.1202(10) 0.5355(3) 0.5264(7) 0.032(2) Uani 0.588(13) 1 d D U P A 1
H6A H 0.101035 0.517348 0.557670 0.039 Uiso 0.588(13) 1 calc R U P A 1
H6B H 0.108477 0.523517 0.487069 0.039 Uiso 0.588(13) 1 calc R U P A 1
C7 C 0.0143(13) 0.5670(3) 0.5304(5) 0.0337(19) Uani 0.588(13) 1 d D U P A 1
H7A H -0.081408 0.557763 0.540524 0.040 Uiso 0.588(13) 1 calc R U P A 1
H7AB H 0.046959 0.584159 0.561979 0.040 Uiso 0.588(13) 1 calc R U P A 1
C6' C 0.1129(12) 0.5409(6) 0.5426(8) 0.032(2) Uani 0.412(13) 1 d D U P A 2
H6'A H 0.078857 0.555982 0.575738 0.039 Uiso 0.412(13) 1 calc R U P A 2
H6'B H 0.106124 0.515266 0.555147 0.039 Uiso 0.412(13) 1 calc R U P A 2
C7' C 0.0094(19) 0.5465(3) 0.4886(8) 0.0337(19) Uani 0.412(13) 1 d D U P A 2
H7'A H 0.041059 0.531758 0.454587 0.040 Uiso 0.412(13) 1 calc R U P A 2
H7'B H -0.087892 0.538426 0.498692 0.040 Uiso 0.412(13) 1 calc R U P A 2
N8 N 0.0058(6) 0.58590(18) 0.4714(3) 0.0313(13) Uani 1 1 d D U . . .
C9 C 0.3384(9) 0.53832(19) 0.5933(4) 0.0322(16) Uani 1 1 d . U . . .
H9A H 0.266086 0.538539 0.624533 0.039 Uiso 1 1 calc R U . . .
H9AB H 0.375596 0.513280 0.590007 0.039 Uiso 1 1 calc R U . . .
C10 C 0.4594(8) 0.56358(19) 0.6108(3) 0.0280(15) Uani 1 1 d . U . . .
H10A H 0.503924 0.556282 0.649665 0.034 Uiso 1 1 calc R U . . .
H10B H 0.533707 0.563328 0.580416 0.034 Uiso 1 1 calc R U . . .
N11 N 0.3949(6) 0.59980(15) 0.6151(3) 0.0215(11) Uani 1 1 d . U . . .
C12 C 0.3695(7) 0.61354(19) 0.6657(3) 0.0238(14) Uani 1 1 d . U . . .
C13 C 0.4093(9) 0.5951(2) 0.7238(3) 0.0341(18) Uani 1 1 d . U . . .
H13A H 0.393822 0.611889 0.756912 0.051 Uiso 1 1 calc R U . . .
H13B H 0.510320 0.587993 0.723987 0.051 Uiso 1 1 calc R U . . .
H13C H 0.349539 0.573527 0.728476 0.051 Uiso 1 1 calc R U . . .
C14 C 0.2927(8) 0.6485(2) 0.6707(3) 0.0279(15) Uani 1 1 d . U . . .
H14A H 0.217946 0.646194 0.700085 0.042 Uiso 1 1 calc R U . . .
H14B H 0.248899 0.654992 0.631887 0.042 Uiso 1 1 calc R U . . .
H14C H 0.360538 0.667466 0.683538 0.042 Uiso 1 1 calc R U . . .
C15 C 0.1890(8) 0.5617(2) 0.3458(3) 0.0311(16) Uani 1 1 d . U . . .
H15 H 0.094939 0.574213 0.338738 0.037 Uiso 1 1 calc R U . . .
C16 C 0.1617(9) 0.5210(2) 0.3409(4) 0.042(2) Uani 1 1 d . U . . .
H16A H 0.121083 0.515396 0.301123 0.063 Uiso 1 1 calc R U . . .
H16B H 0.094244 0.513660 0.371120 0.063 Uiso 1 1 calc R U . . .
H16C H 0.252149 0.507932 0.347255 0.063 Uiso 1 1 calc R U . . .
C17 C 0.2869(13) 0.5745(3) 0.2988(4) 0.066(3) Uani 1 1 d . U . . .
H17A H 0.255430 0.564434 0.260076 0.100 Uiso 1 1 calc R U . . .
H17B H 0.384756 0.566415 0.308581 0.100 Uiso 1 1 calc R U . . .
H17C H 0.284528 0.601054 0.296802 0.100 Uiso 1 1 calc R U . . .
C18 C -0.1336(8) 0.5938(3) 0.4451(4) 0.0399(19) Uani 1 1 d . U . . .
H18 H -0.120802 0.611929 0.412529 0.048 Uiso 1 1 calc R U . . .
C19 C -0.2045(14) 0.5603(4) 0.4174(6) 0.094(5) Uani 1 1 d . U . . .
H19A H -0.296441 0.567079 0.398242 0.141 Uiso 1 1 calc R U . . .
H19B H -0.220622 0.542270 0.448593 0.141 Uiso 1 1 calc R U . . .
H19C H -0.142063 0.549918 0.387576 0.141 Uiso 1 1 calc R U . . .
C20 C -0.2360(10) 0.6098(3) 0.4886(6) 0.068(3) Uani 1 1 d . U . . .
H20A H -0.333823 0.608696 0.471533 0.102 Uiso 1 1 calc R U . . .
H20B H -0.210035 0.635114 0.496703 0.102 Uiso 1 1 calc R U . . .
H20C H -0.230560 0.595938 0.525903 0.102 Uiso 1 1 calc R U . . .
P21 P 0.35876(17) 0.66582(4) 0.50993(7) 0.0171(3) Uani 1 1 d . . . . .
C22 C 0.4684(7) 0.67260(17) 0.4439(3) 0.0187(12) Uani 1 1 d . . . . .
C23 C 0.4455(9) 0.6518(2) 0.3934(3) 0.039(2) Uani 1 1 d . . . . .
H23 H 0.367722 0.635213 0.392030 0.047 Uiso 1 1 calc R U . . .
C24 C 0.5322(9) 0.6544(2) 0.3444(4) 0.040(2) Uani 1 1 d . . . . .
H24 H 0.512614 0.639730 0.310329 0.048 Uiso 1 1 calc R U . . .
C25 C 0.6450(8) 0.6778(2) 0.3450(3) 0.0268(15) Uani 1 1 d . . . . .
H25 H 0.706201 0.679032 0.312134 0.032 Uiso 1 1 calc R U . . .
C26 C 0.6689(8) 0.6998(2) 0.3943(3) 0.0322(17) Uani 1 1 d . . . . .
H26 H 0.745608 0.716722 0.394918 0.039 Uiso 1 1 calc R U . . .
C27 C 0.5817(9) 0.6972(2) 0.4425(3) 0.0307(16) Uani 1 1 d . . . . .
H27 H 0.599446 0.712599 0.475879 0.037 Uiso 1 1 calc R U . . .
C28 C 0.2079(7) 0.69663(17) 0.4978(3) 0.0181(12) Uani 1 1 d . . . . .
C29 C 0.2147(8) 0.72927(19) 0.4649(3) 0.0264(15) Uani 1 1 d . . . . .
H29 H 0.302154 0.735990 0.447603 0.032 Uiso 1 1 calc R U . . .
C30 C 0.0967(8) 0.75156(19) 0.4575(3) 0.0289(15) Uani 1 1 d . . . . .
H30 H 0.102365 0.773160 0.434652 0.035 Uiso 1 1 calc R U . . .
C31 C -0.0321(8) 0.7420(2) 0.4843(3) 0.0259(14) Uani 1 1 d . . . . .
H31 H -0.113315 0.757355 0.480080 0.031 Uiso 1 1 calc R U . . .
C32 C -0.0406(7) 0.70991(19) 0.5169(3) 0.0238(14) Uani 1 1 d . . . . .
H32 H -0.127363 0.703480 0.535114 0.029 Uiso 1 1 calc R U . . .
C33 C 0.0776(7) 0.68753(18) 0.5225(3) 0.0222(13) Uani 1 1 d . . . . .
H33 H 0.070092 0.665376 0.543831 0.027 Uiso 1 1 calc R U . . .
C34 C 0.4736(6) 0.68931(17) 0.5658(3) 0.0173(12) Uani 1 1 d . . . . .
C35 C 0.4560(8) 0.7256(2) 0.5826(3) 0.0257(14) Uani 1 1 d . . . . .
H35 H 0.379384 0.739464 0.565555 0.031 Uiso 1 1 calc R U . . .
C36 C 0.5516(8) 0.7414(2) 0.6245(3) 0.0305(16) Uani 1 1 d . . . . .
H36 H 0.539022 0.765965 0.635889 0.037 Uiso 1 1 calc R U . . .
C37 C 0.6623(8) 0.7219(2) 0.6490(3) 0.0320(17) Uani 1 1 d . . . . .
H37 H 0.727348 0.732858 0.677000 0.038 Uiso 1 1 calc R U . . .
C38 C 0.6799(8) 0.6859(2) 0.6330(3) 0.0282(15) Uani 1 1 d . . . . .
H38 H 0.756214 0.672228 0.650797 0.034 Uiso 1 1 calc R U . . .
C39 C 0.5879(7) 0.6697(2) 0.5916(3) 0.0221(14) Uani 1 1 d . . . . .
H39 H 0.602396 0.645182 0.580528 0.027 Uiso 1 1 calc R U . . .
Rh2 Rh -0.17426(5) 0.39643(2) 0.76929(2) 0.01904(10) Uani 1 1 d . . . . .
P51 P -0.30543(18) 0.40440(5) 0.68826(8) 0.0211(3) Uani 1 1 d D U . . .
H51 H -0.318677 0.380961 0.666349 0.025 Uiso 1 1 calc R U . B 1
N52 N -0.2221(6) 0.43460(17) 0.6462(3) 0.0249(12) Uani 1 1 d . U . . .
C53 C -0.0893(8) 0.4509(2) 0.6731(4) 0.0378(18) Uani 1 1 d . U . . .
H53A H -0.021563 0.431126 0.683884 0.045 Uiso 1 1 calc R U . . .
H53B H -0.044079 0.466142 0.642698 0.045 Uiso 1 1 calc R U . . .
C54 C -0.1119(11) 0.4733(3) 0.7268(4) 0.051(2) Uani 1 1 d . U . . .
H54A H -0.158434 0.496275 0.713976 0.061 Uiso 1 1 calc R U . . .
H54B H -0.016953 0.479571 0.744906 0.061 Uiso 1 1 calc R U . . .
N55 N -0.2012(7) 0.45623(16) 0.7745(3) 0.0299(13) Uani 1 1 d D U . . .
C56 C -0.3458(10) 0.4722(4) 0.7653(8) 0.035(2) Uani 0.596(8) 1 d D U P C 1
H56A H -0.353451 0.484319 0.725901 0.042 Uiso 0.596(8) 1 calc R U P C 1
H56B H -0.362883 0.490594 0.796456 0.042 Uiso 0.596(8) 1 calc R U P C 1
C57 C -0.4567(13) 0.4418(3) 0.7684(5) 0.0325(18) Uani 0.596(8) 1 d D U P C 1
H57A H -0.432536 0.426112 0.803088 0.039 Uiso 0.596(8) 1 calc R U P C 1
H57B H -0.552209 0.452588 0.774642 0.039 Uiso 0.596(8) 1 calc R U P C 1
N58 N -0.4631(9) 0.4193(3) 0.7132(5) 0.0271(18) Uani 0.596(8) 1 d D U P C 1
C56' C -0.3580(13) 0.4658(7) 0.7763(10) 0.035(2) Uani 0.404(8) 1 d D U P C 2
H56C H -0.363763 0.490977 0.791272 0.042 Uiso 0.404(8) 1 calc R U P C 2
H56D H -0.400165 0.450046 0.806907 0.042 Uiso 0.404(8) 1 calc R U P C 2
C57' C -0.4577(19) 0.4634(4) 0.7199(8) 0.0325(18) Uani 0.404(8) 1 d D U P C 2
H57C H -0.555446 0.470959 0.730287 0.039 Uiso 0.404(8) 1 calc R U P C 2
H57D H -0.423247 0.480518 0.689579 0.039 Uiso 0.404(8) 1 calc R U P C 2
N58' N -0.4637(12) 0.4262(4) 0.6941(8) 0.0271(18) Uani 0.404(8) 1 d D U P C 2
C59 C -0.1412(9) 0.4669(2) 0.8353(3) 0.0328(16) Uani 1 1 d . U . . .
H59A H -0.217527 0.465603 0.864742 0.039 Uiso 1 1 calc R U . . .
H59B H -0.105849 0.492226 0.834147 0.039 Uiso 1 1 calc R U . . .
C60 C -0.0195(8) 0.4417(2) 0.8538(3) 0.0303(15) Uani 1 1 d . U . . .
H60A H 0.057291 0.442508 0.824514 0.036 Uiso 1 1 calc R U . . .
H60B H 0.021523 0.448620 0.893470 0.036 Uiso 1 1 calc R U . . .
N61 N -0.0847(6) 0.40504(16) 0.8558(2) 0.0242(12) Uani 1 1 d . U . . .
C62 C -0.1133(8) 0.3901(2) 0.9061(3) 0.0250(15) Uani 1 1 d . U . . .
C63 C -0.0736(8) 0.4079(2) 0.9656(3) 0.0309(16) Uani 1 1 d . U . . .
H63A H -0.111219 0.393309 0.998065 0.046 Uiso 1 1 calc R U . . .
H63B H -0.114844 0.432303 0.966728 0.046 Uiso 1 1 calc R U . . .
H63C H 0.030898 0.409480 0.970345 0.046 Uiso 1 1 calc R U . . .
C64 C -0.1900(8) 0.3553(2) 0.9096(3) 0.0281(15) Uani 1 1 d . U . . .
H64A H -0.269948 0.357711 0.936450 0.042 Uiso 1 1 calc R U . . .
H64B H -0.124116 0.336481 0.924813 0.042 Uiso 1 1 calc R U . . .
H64C H -0.226864 0.348397 0.869751 0.042 Uiso 1 1 calc R U . . .
C65 C -0.2743(9) 0.4464(2) 0.5872(3) 0.0341(17) Uani 1 1 d D U . . .
H65 H -0.373012 0.436175 0.581655 0.041 Uiso 1 1 calc R U . . .
C66 C -0.2902(12) 0.4874(2) 0.5814(5) 0.053(3) Uani 1 1 d D U . . .
H66A H -0.345634 0.493148 0.544807 0.079 Uiso 1 1 calc R U . . .
H66B H -0.195204 0.498533 0.579937 0.079 Uiso 1 1 calc R U . . .
H66C H -0.340075 0.496821 0.615904 0.079 Uiso 1 1 calc R U . . .
C67 C -0.1872(13) 0.4306(3) 0.5371(4) 0.068(3) Uani 1 1 d D U . . .
H67A H -0.231405 0.437473 0.498483 0.102 Uiso 1 1 calc R U . . .
H67B H -0.184880 0.404137 0.540503 0.102 Uiso 1 1 calc R U . . .
H67C H -0.089235 0.440139 0.540073 0.102 Uiso 1 1 calc R U . . .
C68 C -0.6058(12) 0.4112(4) 0.6876(7) 0.029(2) Uani 0.596(8) 1 d D U P C 1
H68 H -0.593280 0.392814 0.655409 0.035 Uiso 0.596(8) 1 calc R U P C 1
C69 C -0.6784(17) 0.4441(4) 0.6589(7) 0.048(3) Uani 0.596(8) 1 d D U P C 1
H69A H -0.773098 0.437104 0.642594 0.073 Uiso 0.596(8) 1 calc R U P C 1
H69B H -0.689114 0.463076 0.688982 0.073 Uiso 0.596(8) 1 calc R U P C 1
H69C H -0.619896 0.453197 0.626769 0.073 Uiso 0.596(8) 1 calc R U P C 1
C70 C -0.6962(15) 0.3935(4) 0.7350(7) 0.045(3) Uani 0.596(8) 1 d D U P C 1
H70A H -0.791739 0.388004 0.717949 0.068 Uiso 0.596(8) 1 calc R U P C 1
H70B H -0.650121 0.370981 0.748776 0.068 Uiso 0.596(8) 1 calc R U P C 1
H70C H -0.704913 0.410117 0.768775 0.068 Uiso 0.596(8) 1 calc R U P C 1
C68' C -0.593(2) 0.4042(7) 0.6996(11) 0.029(2) Uani 0.404(8) 1 d D U P C 2
H68' H -0.570780 0.379426 0.684545 0.035 Uiso 0.404(8) 1 calc R U P C 2
C69' C -0.712(2) 0.4190(7) 0.6598(11) 0.048(3) Uani 0.404(8) 1 d . U P C 2
H69D H -0.797845 0.404169 0.663754 0.073 Uiso 0.404(8) 1 calc R U P C 2
H69E H -0.732191 0.444067 0.671178 0.073 Uiso 0.404(8) 1 calc R U P C 2
H69F H -0.682102 0.418407 0.618275 0.073 Uiso 0.404(8) 1 calc R U P C 2
C70' C -0.627(2) 0.4000(7) 0.7689(10) 0.045(3) Uani 0.404(8) 1 d . U P C 2
H70D H -0.713807 0.385377 0.772944 0.068 Uiso 0.404(8) 1 calc R U P C 2
H70E H -0.546307 0.388089 0.789751 0.068 Uiso 0.404(8) 1 calc R U P C 2
H70F H -0.642001 0.424074 0.786234 0.068 Uiso 0.404(8) 1 calc R U P C 2
P71 P -0.11736(18) 0.33949(4) 0.75018(7) 0.0178(3) Uani 1 1 d . . . . .
C72 C -0.0059(7) 0.33232(19) 0.6848(3) 0.0212(13) Uani 1 1 d . . . . .
C73 C -0.0274(10) 0.3533(3) 0.6332(4) 0.043(2) Uani 1 1 d . . . . .
H73 H -0.102970 0.370582 0.631760 0.052 Uiso 1 1 calc R U . . .
C74 C 0.0566(11) 0.3498(3) 0.5850(4) 0.051(3) Uani 1 1 d . . . . .
H74 H 0.036603 0.363797 0.550259 0.061 Uiso 1 1 calc R U . . .
C75 C 0.1701(8) 0.32596(19) 0.5864(3) 0.0264(15) Uani 1 1 d . . . . .
H75 H 0.232170 0.324660 0.553851 0.032 Uiso 1 1 calc R U . . .
C76 C 0.1926(9) 0.3043(2) 0.6351(4) 0.0376(19) Uani 1 1 d . . . . .
H76 H 0.268592 0.287123 0.635614 0.045 Uiso 1 1 calc R U . . .
C77 C 0.1049(8) 0.3070(2) 0.6842(3) 0.0318(17) Uani 1 1 d . . . . .
H77 H 0.120999 0.291486 0.717553 0.038 Uiso 1 1 calc R U . . .
C78 C -0.0058(7) 0.31540(18) 0.8066(3) 0.0201(13) Uani 1 1 d . . . . .
C79 C 0.1086(7) 0.33424(19) 0.8334(3) 0.0220(14) Uani 1 1 d . . . . .
H79 H 0.123439 0.358978 0.823539 0.026 Uiso 1 1 calc R U . . .
C80 C 0.2020(7) 0.3171(2) 0.8748(3) 0.0259(15) Uani 1 1 d . . . . .
H80 H 0.280736 0.330009 0.892319 0.031 Uiso 1 1 calc R U . . .
C81 C 0.1787(8) 0.2819(2) 0.8896(3) 0.0319(16) Uani 1 1 d . . . . .
H81 H 0.240607 0.270427 0.918225 0.038 Uiso 1 1 calc R U . . .
C82 C 0.0649(8) 0.2623(2) 0.8631(3) 0.0323(17) Uani 1 1 d . . . . .
H82 H 0.050475 0.237620 0.873319 0.039 Uiso 1 1 calc R U . . .
C83 C -0.0261(7) 0.27927(19) 0.8221(3) 0.0243(14) Uani 1 1 d . . . . .
H83 H -0.103504 0.266061 0.804156 0.029 Uiso 1 1 calc R U . . .
C84 C -0.2699(7) 0.30871(18) 0.7369(3) 0.0212(13) Uani 1 1 d . . . . .
C85 C -0.2625(8) 0.2772(2) 0.7030(3) 0.0286(15) Uani 1 1 d . . . . .
H85 H -0.176714 0.271319 0.683675 0.034 Uiso 1 1 calc R U . . .
C86 C -0.3811(8) 0.2543(2) 0.6975(4) 0.0338(17) Uani 1 1 d . . . . .
H86 H -0.375259 0.232745 0.674634 0.041 Uiso 1 1 calc R U . . .
C87 C -0.5064(8) 0.2627(2) 0.7249(3) 0.0324(17) Uani 1 1 d . . . . .
H87 H -0.586442 0.246887 0.721355 0.039 Uiso 1 1 calc R U . . .
C88 C -0.5148(8) 0.2939(2) 0.7570(3) 0.0269(15) Uani 1 1 d . . . . .
H88 H -0.601840 0.299934 0.775357 0.032 Uiso 1 1 calc R U . . .
C89 C -0.3973(7) 0.31737(17) 0.7635(3) 0.0202(13) Uani 1 1 d . . . . .
H89 H -0.404762 0.339065 0.785986 0.024 Uiso 1 1 calc R U . . .
Rh3 Rh 0.82362(6) 0.37512(2) 0.26169(2) 0.02039(10) Uani 1 1 d . . . . .
P101 P 0.69750(19) 0.40392(4) 0.19366(7) 0.0210(3) Uani 1 1 d D . . . .
H101 H 0.673540 0.387473 0.159314 0.025 Uiso 1 1 calc R U . . .
N102 N 0.7953(7) 0.43935(14) 0.1710(2) 0.0296(14) Uani 1 1 d D . . . .
C103 C 0.8112(9) 0.46860(18) 0.2156(3) 0.0319(17) Uani 1 1 d D . . . .
H10C H 0.715037 0.477998 0.224590 0.038 Uiso 1 1 calc R U . . .
H10D H 0.866164 0.488746 0.198250 0.038 Uiso 1 1 calc R U . . .
C104 C 0.8861(8) 0.45666(19) 0.2733(3) 0.0315(17) Uani 1 1 d D . . . .
H10E H 0.983207 0.448095 0.263909 0.038 Uiso 1 1 calc R U . . .
H10F H 0.897890 0.478195 0.299361 0.038 Uiso 1 1 calc R U . . .
N105 N 0.8140(6) 0.42727(16) 0.3084(2) 0.0284(13) Uani 1 1 d D . . . .
C106 C 0.6634(7) 0.4374(2) 0.3228(3) 0.0315(16) Uani 1 1 d D . . . .
H10G H 0.649232 0.463473 0.313650 0.038 Uiso 1 1 calc R U . . .
H10H H 0.651954 0.434269 0.366214 0.038 Uiso 1 1 calc R U . . .
C107 C 0.5462(7) 0.4158(2) 0.2897(3) 0.0338(17) Uani 1 1 d D . . . .
H10I H 0.555435 0.389965 0.301370 0.041 Uiso 1 1 calc R U . . .
H10J H 0.451877 0.424417 0.302721 0.041 Uiso 1 1 calc R U . . .
N108 N 0.5491(6) 0.41831(16) 0.2245(2) 0.0270(13) Uani 1 1 d D . . . .
C109 C 0.9026(8) 0.42244(19) 0.3644(3) 0.0321(16) Uani 1 1 d D . . . .
H10K H 0.871176 0.439771 0.394976 0.039 Uiso 1 1 calc R U . . .
H10L H 1.004408 0.427370 0.356571 0.039 Uiso 1 1 calc R U . . .
C110 C 0.8864(10) 0.38411(19) 0.3867(3) 0.0365(19) Uani 1 1 d D . . . .
H11A H 0.940226 0.380799 0.425085 0.044 Uiso 1 1 calc R U . . .
H11B H 0.784283 0.378415 0.392624 0.044 Uiso 1 1 calc R U . . .
N111 N 0.9448(7) 0.36058(15) 0.3404(2) 0.0273(13) Uani 1 1 d D . . . .
C112 C 1.0487(8) 0.33898(19) 0.3528(3) 0.0299(16) Uani 1 1 d D . . . .
C113 C 1.1315(8) 0.3231(2) 0.3039(3) 0.0327(17) Uani 1 1 d D . . . .
H11C H 1.129374 0.296592 0.306689 0.049 Uiso 1 1 calc R U . . .
H11D H 1.230891 0.331560 0.307260 0.049 Uiso 1 1 calc R U . . .
H11E H 1.088899 0.330695 0.265346 0.049 Uiso 1 1 calc R U . . .
C114 C 1.0983(11) 0.3270(2) 0.4140(3) 0.045(2) Uani 1 1 d D . . . .
H11F H 1.157399 0.305163 0.410938 0.067 Uiso 1 1 calc R U . . .
H11G H 1.014984 0.321652 0.437925 0.067 Uiso 1 1 calc R U . . .
H11H H 1.154944 0.346378 0.433244 0.067 Uiso 1 1 calc R U . . .
C115 C 0.8037(8) 0.44939(19) 0.1081(3) 0.0319(17) Uani 1 1 d D . . . .
H115 H 0.785545 0.426893 0.084147 0.038 Uiso 1 1 calc R U . . .
C116 C 0.9544(8) 0.4624(2) 0.0948(3) 0.0347(17) Uani 1 1 d D . . . .
H11I H 0.961208 0.466546 0.051861 0.052 Uiso 1 1 calc R U . . .
H11J H 1.024159 0.443866 0.107618 0.052 Uiso 1 1 calc R U . . .
H11K H 0.974498 0.485010 0.116348 0.052 Uiso 1 1 calc R U . . .
C117 C 0.6923(9) 0.4774(2) 0.0874(4) 0.0382(19) Uani 1 1 d D . . . .
H11L H 0.702345 0.482200 0.044822 0.057 Uiso 1 1 calc R U . . .
H11M H 0.707047 0.499894 0.109976 0.057 Uiso 1 1 calc R U . . .
H11N H 0.596110 0.467964 0.094167 0.057 Uiso 1 1 calc R U . . .
C118 C 0.4195(7) 0.43104(18) 0.1910(4) 0.0345(17) Uani 1 1 d D . . . .
H118 H 0.439941 0.429603 0.147596 0.041 Uiso 1 1 calc R U . . .
C119 C 0.2912(9) 0.4063(2) 0.2018(4) 0.047(2) Uani 1 1 d D . . . .
H11O H 0.209771 0.413835 0.176069 0.070 Uiso 1 1 calc R U . . .
H11P H 0.265181 0.408042 0.243657 0.070 Uiso 1 1 calc R U . . .
H11Q H 0.316620 0.381160 0.192645 0.070 Uiso 1 1 calc R U . . .
C120 C 0.3839(10) 0.4705(2) 0.2048(5) 0.054(3) Uani 1 1 d D . . . .
H12A H 0.304296 0.478625 0.178512 0.081 Uiso 1 1 calc R U . . .
H12B H 0.468011 0.485745 0.198391 0.081 Uiso 1 1 calc R U . . .
H12C H 0.356418 0.472606 0.246456 0.081 Uiso 1 1 calc R U . . .
P121 P 0.79842(19) 0.32380(4) 0.21170(7) 0.0181(3) Uani 1 1 d . . . . .
C122 C 0.8545(7) 0.28205(16) 0.2507(3) 0.0175(12) Uani 1 1 d . . . . .
C123 C 0.9303(7) 0.25397(18) 0.2256(3) 0.0242(14) Uani 1 1 d . . . . .
H123 H 0.953812 0.254926 0.184748 0.029 Uiso 1 1 calc R U . . .
C124 C 0.9724(8) 0.22393(19) 0.2609(3) 0.0252(14) Uani 1 1 d . . . . .
H124 H 1.022683 0.204515 0.243275 0.030 Uiso 1 1 calc R U . . .
C125 C 0.9419(8) 0.2222(2) 0.3207(3) 0.0288(16) Uani 1 1 d . . . . .
H125 H 0.973396 0.202111 0.344170 0.035 Uiso 1 1 calc R U . . .
C126 C 0.8654(7) 0.2499(2) 0.3458(3) 0.0253(14) Uani 1 1 d . . . . .
H126 H 0.842451 0.248581 0.386715 0.030 Uiso 1 1 calc R U . . .
C127 C 0.8217(7) 0.27946(19) 0.3122(3) 0.0228(13) Uani 1 1 d . . . . .
H127 H 0.769050 0.298334 0.330187 0.027 Uiso 1 1 calc R U . . .
C128 C 0.8949(7) 0.32300(17) 0.1419(3) 0.0180(12) Uani 1 1 d . . . . .
C129 C 0.8705(8) 0.29747(18) 0.0966(3) 0.0224(13) Uani 1 1 d . . . . .
H129 H 0.800809 0.278976 0.100965 0.027 Uiso 1 1 calc R U . . .
C130 C 0.9493(8) 0.29935(19) 0.0448(3) 0.0272(15) Uani 1 1 d . . . . .
H130 H 0.933382 0.281951 0.014056 0.033 Uiso 1 1 calc R U . . .
C131 C 1.0499(8) 0.3263(2) 0.0380(3) 0.0246(14) Uani 1 1 d . . . . .
H131 H 1.103268 0.327255 0.002720 0.029 Uiso 1 1 calc R U . . .
C132 C 1.0736(7) 0.3521(2) 0.0827(3) 0.0245(14) Uani 1 1 d . . . . .
H132 H 1.141968 0.370910 0.077847 0.029 Uiso 1 1 calc R U . . .
C133 C 0.9964(7) 0.35006(18) 0.1340(3) 0.0215(13) Uani 1 1 d . . . . .
H133 H 1.013000 0.367498 0.164583 0.026 Uiso 1 1 calc R U . . .
C134 C 0.6136(7) 0.31231(17) 0.1871(3) 0.0191(12) Uani 1 1 d . . . . .
C135 C 0.5225(8) 0.29457(19) 0.2261(3) 0.0252(14) Uani 1 1 d . . . . .
H135 H 0.557648 0.287790 0.264720 0.030 Uiso 1 1 calc R U . . .
C136 C 0.3836(8) 0.2869(2) 0.2092(4) 0.0339(18) Uani 1 1 d . . . . .
H136 H 0.324882 0.274382 0.236209 0.041 Uiso 1 1 calc R U . . .
C137 C 0.3261(8) 0.2969(2) 0.1534(4) 0.0299(16) Uani 1 1 d . . . . .
H137 H 0.230110 0.291152 0.141700 0.036 Uiso 1 1 calc R U . . .
C138 C 0.4149(8) 0.31581(19) 0.1155(3) 0.0263(15) Uani 1 1 d . . . . .
H138 H 0.376819 0.324063 0.078119 0.032 Uiso 1 1 calc R U . . .
C139 C 0.5559(7) 0.32281(18) 0.1306(3) 0.0222(13) Uani 1 1 d . . . . .
H139 H 0.614827 0.334739 0.103060 0.027 Uiso 1 1 calc R U . . .
Rh4 Rh 1.31583(6) 0.62452(2) 0.02050(2) 0.02569(12) Uani 1 1 d . . . . .
P151 P 1.1900(2) 0.59552(5) -0.04666(8) 0.0312(4) Uani 1 1 d D U . . .
H151 H 1.168994 0.611545 -0.081825 0.037 Uiso 1 1 calc R U . . .
N152 N 1.2814(10) 0.55849(19) -0.0677(3) 0.060(2) Uani 1 1 d D U . . .
C153 C 1.2975(14) 0.5303(2) -0.0214(4) 0.065(3) Uani 1 1 d D U . . .
H15A H 1.352035 0.509747 -0.037803 0.078 Uiso 1 1 calc R U . . .
H15B H 1.201180 0.521106 -0.012024 0.078 Uiso 1 1 calc R U . . .
C154 C 1.3719(12) 0.5426(2) 0.0358(3) 0.054(2) Uani 1 1 d D U . . .
H15C H 1.380844 0.521526 0.062923 0.065 Uiso 1 1 calc R U . . .
H15D H 1.470075 0.550434 0.026486 0.065 Uiso 1 1 calc R U . . .
N155 N 1.3009(7) 0.57296(16) 0.0684(2) 0.0366(15) Uani 1 1 d D U . . .
C156 C 1.1491(8) 0.5641(2) 0.0837(3) 0.0368(17) Uani 1 1 d D U . . .
H15E H 1.138213 0.568117 0.126918 0.044 Uiso 1 1 calc R U . . .
H15F H 1.131536 0.538088 0.075580 0.044 Uiso 1 1 calc R U . . .
C157 C 1.0345(8) 0.5865(2) 0.0494(3) 0.0360(17) Uani 1 1 d D U . . .
H15G H 0.938789 0.578664 0.062007 0.043 Uiso 1 1 calc R U . . .
H15H H 1.046399 0.612319 0.060259 0.043 Uiso 1 1 calc R U . . .
N158 N 1.0399(7) 0.58300(17) -0.0162(2) 0.0353(14) Uani 1 1 d D U . . .
C159 C 1.3875(10) 0.5784(2) 0.1252(3) 0.0414(19) Uani 1 1 d D U . . .
H15I H 1.489666 0.573277 0.118416 0.050 Uiso 1 1 calc R U . . .
H15J H 1.354469 0.561425 0.156106 0.050 Uiso 1 1 calc R U . . .
C160 C 1.3707(10) 0.6169(2) 0.1462(3) 0.0398(19) Uani 1 1 d D U . . .
H16D H 1.268243 0.622921 0.150492 0.048 Uiso 1 1 calc R U . . .
H16E H 1.421658 0.620589 0.185133 0.048 Uiso 1 1 calc R U . . .
N161 N 1.4338(7) 0.63966(18) 0.0999(3) 0.0359(15) Uani 1 1 d D U . . .
C162 C 1.5346(8) 0.6624(2) 0.1128(3) 0.0362(18) Uani 1 1 d D U . . .
C163 C 1.6207(8) 0.6784(2) 0.0652(4) 0.039(2) Uani 1 1 d D U . . .
H16F H 1.591526 0.667630 0.026706 0.058 Uiso 1 1 calc R U . . .
H16G H 1.722418 0.673413 0.073596 0.058 Uiso 1 1 calc R U . . .
H16H H 1.605112 0.704656 0.063679 0.058 Uiso 1 1 calc R U . . .
C164 C 1.5798(11) 0.6746(3) 0.1746(3) 0.050(2) Uani 1 1 d D U . . .
H16I H 1.504597 0.668531 0.202376 0.075 Uiso 1 1 calc R U . . .
H16J H 1.595290 0.700883 0.174735 0.075 Uiso 1 1 calc R U . . .
H16K H 1.668836 0.662285 0.187062 0.075 Uiso 1 1 calc R U . . .
C165 C 1.3108(8) 0.54961(19) -0.1280(3) 0.0313(16) Uani 1 1 d D U . . .
H165 H 1.285261 0.571448 -0.152528 0.038 Uiso 1 1 calc R U . . .
C166 C 1.4674(11) 0.5421(3) -0.1370(7) 0.090(4) Uani 1 1 d D U . . .
H16L H 1.524447 0.562861 -0.122551 0.136 Uiso 1 1 calc R U . . .
H16M H 1.483050 0.538401 -0.179469 0.136 Uiso 1 1 calc R U . . .
H16N H 1.496286 0.520344 -0.114669 0.136 Uiso 1 1 calc R U . . .
C167 C 1.2211(14) 0.5185(3) -0.1529(5) 0.071(4) Uani 1 1 d D U . . .
H16O H 1.254327 0.495664 -0.134817 0.107 Uiso 1 1 calc R U . . .
H16P H 1.230731 0.517246 -0.196237 0.107 Uiso 1 1 calc R U . . .
H16Q H 1.120443 0.522411 -0.143864 0.107 Uiso 1 1 calc R U . . .
C168 C 0.9096(9) 0.5715(2) -0.0499(4) 0.043(2) Uani 1 1 d D U . . .
H168 H 0.931015 0.572436 -0.093280 0.052 Uiso 1 1 calc R U . . .
C169 C 0.7865(10) 0.5979(3) -0.0397(5) 0.059(3) Uani 1 1 d D U . . .
H16R H 0.758303 0.596285 0.001935 0.089 Uiso 1 1 calc R U . . .
H16S H 0.704613 0.591574 -0.066100 0.089 Uiso 1 1 calc R U . . .
H16T H 0.817627 0.622661 -0.048204 0.089 Uiso 1 1 calc R U . . .
C170 C 0.8656(11) 0.5329(2) -0.0357(4) 0.050(2) Uani 1 1 d D U . . .
H17D H 0.940604 0.516076 -0.047766 0.074 Uiso 1 1 calc R U . . .
H17E H 0.775730 0.527072 -0.057395 0.074 Uiso 1 1 calc R U . . .
H17F H 0.852162 0.530554 0.007252 0.074 Uiso 1 1 calc R U . . .
P171 P 1.28915(19) 0.67626(5) -0.02888(7) 0.0209(3) Uani 1 1 d . . . . .
C172 C 1.1025(7) 0.68722(17) -0.0529(3) 0.0200(13) Uani 1 1 d . . . . .
C173 C 1.0137(8) 0.7055(2) -0.0138(4) 0.0305(17) Uani 1 1 d . . . . .
H173 H 1.049345 0.712346 0.024731 0.037 Uiso 1 1 calc R U . . .
C174 C 0.8729(8) 0.7136(2) -0.0315(4) 0.0336(17) Uani 1 1 d . . . . .
H174 H 0.813872 0.726533 -0.005158 0.040 Uiso 1 1 calc R U . . .
C175 C 0.8183(8) 0.7033(2) -0.0863(4) 0.0329(17) Uani 1 1 d . . . . .
H175 H 0.722166 0.709057 -0.097857 0.039 Uiso 1 1 calc R U . . .
C176 C 0.9033(8) 0.68471(19) -0.1245(3) 0.0259(14) Uani 1 1 d . . . . .
H176 H 0.864550 0.676973 -0.162042 0.031 Uiso 1 1 calc R U . . .
C177 C 1.0450(7) 0.67702(18) -0.1089(3) 0.0222(13) Uani 1 1 d . . . . .
H177 H 1.103338 0.664776 -0.136337 0.027 Uiso 1 1 calc R U . . .
C178 C 1.3420(7) 0.71787(19) 0.0112(3) 0.0221(13) Uani 1 1 d . . . . .
C179 C 1.4166(7) 0.74625(19) -0.0137(3) 0.0234(14) Uani 1 1 d . . . . .
H179 H 1.440881 0.744962 -0.054403 0.028 Uiso 1 1 calc R U . . .
C180 C 1.4565(8) 0.7766(2) 0.0197(3) 0.0305(16) Uani 1 1 d . . . . .
H180 H 1.506685 0.795916 0.001757 0.037 Uiso 1 1 calc R U . . .
C181 C 1.4226(8) 0.7785(2) 0.0798(3) 0.0300(16) Uani 1 1 d . . . . .
H181 H 1.449580 0.799071 0.103116 0.036 Uiso 1 1 calc R U . . .
C182 C 1.3492(8) 0.7500(2) 0.1049(3) 0.0317(17) Uani 1 1 d . . . . .
H182 H 1.326681 0.750995 0.145828 0.038 Uiso 1 1 calc R U . . .
C183 C 1.3081(8) 0.7202(2) 0.0712(3) 0.0276(15) Uani 1 1 d . . . . .
H183 H 1.256429 0.701077 0.088989 0.033 Uiso 1 1 calc R U . . .
C184 C 1.3843(7) 0.67779(18) -0.0989(3) 0.0199(12) Uani 1 1 d . . . . .
C185 C 1.3582(7) 0.70328(18) -0.1436(3) 0.0219(13) Uani 1 1 d . . . . .
H185 H 1.288363 0.721641 -0.138465 0.026 Uiso 1 1 calc R U . . .
C186 C 1.4342(8) 0.70195(18) -0.1956(3) 0.0226(13) Uani 1 1 d . . . . .
H186 H 1.413981 0.719075 -0.226422 0.027 Uiso 1 1 calc R U . . .
C187 C 1.5391(7) 0.67598(19) -0.2033(3) 0.0242(14) Uani 1 1 d . . . . .
H187 H 1.592826 0.675709 -0.238453 0.029 Uiso 1 1 calc R U . . .
C188 C 1.5648(8) 0.6502(2) -0.1586(3) 0.0258(15) Uani 1 1 d . . . . .
H188 H 1.635774 0.632096 -0.163540 0.031 Uiso 1 1 calc R U . . .
C189 C 1.4869(7) 0.65100(18) -0.1071(3) 0.0193(13) Uani 1 1 d . . . . .
H189 H 1.503577 0.633125 -0.077194 0.023 Uiso 1 1 calc R U . . .
Sb20 Sb -0.07898(5) 0.58861(2) 0.72516(2) 0.02539(10) Uani 1 1 d D . . . .
F201 F -0.1283(6) 0.55924(15) 0.7894(2) 0.0549(15) Uani 1 1 d D . . . .
F202 F -0.2174(6) 0.56463(16) 0.6769(3) 0.0590(16) Uani 1 1 d D . . . .
F203 F 0.0578(6) 0.55531(15) 0.7020(3) 0.0573(15) Uani 1 1 d D . . . .
F204 F 0.0603(6) 0.61135(15) 0.7741(2) 0.0528(14) Uani 1 1 d D . . . .
F205 F -0.2132(7) 0.62276(16) 0.7475(3) 0.0652(18) Uani 1 1 d D . . . .
F206 F -0.0338(6) 0.61867(14) 0.66072(19) 0.0454(12) Uani 1 1 d D . . . .
Sb30 Sb 0.34287(6) 0.42385(2) 0.45201(3) 0.03465(12) Uani 1 1 d . . . . .
F301 F 0.2840(8) 0.38518(16) 0.4978(3) 0.0693(19) Uani 1 1 d . . . . .
F302 F 0.2678(6) 0.40086(15) 0.3825(2) 0.0563(14) Uani 1 1 d . . . . .
F303 F 0.5170(7) 0.40090(16) 0.4417(3) 0.0713(18) Uani 1 1 d . . . . .
F304 F 0.4129(7) 0.44835(16) 0.5189(2) 0.0592(15) Uani 1 1 d . . . . .
F305 F 0.1662(6) 0.44716(17) 0.4598(3) 0.0567(15) Uani 1 1 d . . . . .
F306 F 0.4070(6) 0.46218(13) 0.4038(2) 0.0483(13) Uani 1 1 d . . . . .
Sb40 Sb -0.56913(5) 0.41244(2) 0.96369(2) 0.02980(11) Uani 1 1 d . . . . .
F401 F -0.6937(7) 0.37638(18) 0.9890(3) 0.0669(18) Uani 1 1 d . . . . .
F402 F -0.7133(7) 0.4313(2) 0.9138(3) 0.076(2) Uani 1 1 d . . . . .
F403 F -0.5126(6) 0.38181(17) 0.9019(2) 0.0541(15) Uani 1 1 d . . . . .
F404 F -0.4228(6) 0.39430(17) 1.0145(2) 0.0553(14) Uani 1 1 d . . . . .
F405 F -0.6257(7) 0.44339(17) 1.0241(3) 0.0638(17) Uani 1 1 d . . . . .
F406 F -0.4424(8) 0.4479(2) 0.9373(3) 0.084(2) Uani 1 1 d . . . . .
Sb50 Sb 0.8035(3) 0.57850(8) 0.22474(12) 0.0384(4) Uani 0.548(3) 1 d D . P D 1
F501 F 0.8792(13) 0.6042(3) 0.2918(4) 0.070(3) Uani 0.548(3) 1 d D . P D 1
F502 F 0.8671(16) 0.6177(3) 0.1776(5) 0.091(4) Uani 0.548(3) 1 d D . P D 1
F503 F 0.9780(10) 0.5547(3) 0.2158(4) 0.067(2) Uani 0.548(3) 1 d D . P D 1
F504 F 0.7492(12) 0.5412(2) 0.2748(4) 0.057(2) Uani 0.548(3) 1 d D . P D 1
F505 F 0.6292(10) 0.6007(4) 0.2353(5) 0.083(3) Uani 0.548(3) 1 d D . P D 1
F506 F 0.7366(13) 0.5555(3) 0.1563(4) 0.067(3) Uani 0.548(3) 1 d D . P D 1
Sb55 Sb 0.8395(4) 0.58251(10) 0.21173(15) 0.0384(4) Uani 0.452(3) 1 d D . P D 2
F551 F 0.8124(17) 0.6182(3) 0.2688(5) 0.070(3) Uani 0.452(3) 1 d D . P D 2
F552 F 0.8103(19) 0.6167(4) 0.1498(5) 0.091(4) Uani 0.452(3) 1 d D . P D 2
F553 F 1.0361(10) 0.5930(4) 0.2127(5) 0.067(2) Uani 0.452(3) 1 d D . P D 2
F554 F 0.8752(15) 0.5483(3) 0.2716(4) 0.057(2) Uani 0.452(3) 1 d D . P D 2
F555 F 0.6501(10) 0.5688(4) 0.2087(6) 0.083(3) Uani 0.452(3) 1 d D . P D 2
F556 F 0.8779(15) 0.5470(3) 0.1534(5) 0.067(3) Uani 0.452(3) 1 d D . P D 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 N11 2.117(6) . ?
Rh1 P1 2.1855(18) . ?
Rh1 P21 2.2072(17) . ?
Rh1 N5 2.220(6) . ?
P1 N8 1.668(6) . ?
P1 N2 1.668(6) . ?
N2 C3 1.441(9) . ?
N2 C15 1.486(9) . ?
C3 C4 1.524(13) . ?
C4 N5 1.485(11) . ?
N5 C6 1.489(9) . ?
N5 C9 1.508(9) . ?
N5 C6' 1.509(11) . ?
C6 C7 1.531(12) . ?
C7 N8 1.497(9) . ?
C6' C7' 1.538(13) . ?
C7' N8 1.503(10) . ?
N8 C18 1.441(10) . ?
C9 C10 1.507(10) . ?
C10 N11 1.469(9) . ?
N11 C12 1.274(9) . ?
C12 C14 1.481(10) . ?
C12 C13 1.506(9) . ?
C15 C17 1.496(12) . ?
C15 C16 1.524(11) . ?
C18 C20 1.511(13) . ?
C18 C19 1.525(14) . ?
P21 C28 1.823(7) . ?
P21 C34 1.839(6) . ?
P21 C22 1.846(7) . ?
C22 C23 1.379(9) . ?
C22 C27 1.394(10) . ?
C23 C24 1.391(11) . ?
C24 C25 1.362(11) . ?
C25 C26 1.382(10) . ?
C26 C27 1.381(10) . ?
C28 C33 1.396(9) . ?
C28 C29 1.414(9) . ?
C29 C30 1.380(10) . ?
C30 C31 1.408(10) . ?
C31 C32 1.394(10) . ?
C32 C33 1.381(10) . ?
C34 C39 1.398(9) . ?
C34 C35 1.400(9) . ?
C35 C36 1.402(10) . ?
C36 C37 1.361(11) . ?
C37 C38 1.384(11) . ?
C38 C39 1.380(10) . ?
Rh2 N61 2.112(6) . ?
Rh2 P51 2.1780(18) . ?
Rh2 P71 2.2114(17) . ?
Rh2 N55 2.223(6) . ?
P51 N52 1.669(6) . ?
P51 N58 1.686(8) . ?
P51 N58' 1.692(11) . ?
N52 C65 1.463(9) . ?
N52 C53 1.488(9) . ?
C53 C54 1.482(13) . ?
C54 N55 1.516(11) . ?
N55 C56 1.482(9) . ?
N55 C56' 1.509(11) . ?
N55 C59 1.509(9) . ?
C56 C57 1.530(12) . ?
C57 N58 1.491(9) . ?
N58 C68 1.465(12) . ?
C56' C57' 1.548(13) . ?
C57' N58' 1.491(11) . ?
N58' C68' 1.467(14) . ?
C59 C60 1.516(11) . ?
C60 N61 1.485(9) . ?
N61 C62 1.292(9) . ?
C62 C64 1.476(10) . ?
C62 C63 1.521(9) . ?
C65 C66 1.522(11) . ?
C65 C67 1.526(11) . ?
C68 C69 1.522(14) . ?
C68 C70 1.527(14) . ?
C68' C69' 1.50(3) . ?
C68' C70' 1.60(3) . ?
P71 C84 1.839(7) . ?
P71 C78 1.841(7) . ?
P71 C72 1.846(7) . ?
C72 C77 1.393(10) . ?
C72 C73 1.402(10) . ?
C73 C74 1.364(12) . ?
C74 C75 1.376(11) . ?
C75 C76 1.364(10) . ?
C76 C77 1.400(10) . ?
C78 C83 1.391(9) . ?
C78 C79 1.394(9) . ?
C79 C80 1.403(10) . ?
C80 C81 1.359(11) . ?
C81 C82 1.400(11) . ?
C82 C83 1.382(10) . ?
C84 C89 1.386(10) . ?
C84 C85 1.390(9) . ?
C85 C86 1.395(10) . ?
C86 C87 1.375(11) . ?
C87 C88 1.362(11) . ?
C88 C89 1.400(10) . ?
Rh3 N111 2.135(5) . ?
Rh3 P101 2.1736(17) . ?
Rh3 N105 2.193(6) . ?
Rh3 P121 2.2082(17) . ?
P101 N108 1.658(5) . ?
P101 N102 1.683(6) . ?
N102 C115 1.463(7) . ?
N102 C103 1.476(7) . ?
C103 C104 1.517(8) . ?
C104 N105 1.511(8) . ?
N105 C109 1.492(7) . ?
N105 C106 1.501(8) . ?
C106 C107 1.527(8) . ?
C107 N108 1.468(7) . ?
N108 C118 1.479(8) . ?
C109 C110 1.509(9) . ?
C110 N111 1.472(8) . ?
N111 C112 1.279(8) . ?
C112 C113 1.484(9) . ?
C112 C114 1.503(8) . ?
C115 C116 1.526(9) . ?
C115 C117 1.526(9) . ?
C118 C120 1.528(9) . ?
C118 C119 1.533(9) . ?
P121 C128 1.835(6) . ?
P121 C122 1.838(6) . ?
P121 C134 1.844(7) . ?
C122 C123 1.384(9) . ?
C122 C127 1.428(9) . ?
C123 C124 1.410(9) . ?
C124 C125 1.382(10) . ?
C125 C126 1.378(10) . ?
C126 C127 1.381(9) . ?
C128 C133 1.392(9) . ?
C128 C129 1.398(9) . ?
C129 C130 1.398(10) . ?
C130 C131 1.380(10) . ?
C131 C132 1.395(10) . ?
C132 C133 1.381(10) . ?
C134 C135 1.403(9) . ?
C134 C139 1.415(9) . ?
C135 C136 1.368(11) . ?
C136 C137 1.397(11) . ?
C137 C138 1.394(10) . ?
C138 C139 1.373(10) . ?
Rh4 N161 2.137(6) . ?
Rh4 P151 2.162(2) . ?
Rh4 N155 2.191(6) . ?
Rh4 P171 2.2158(18) . ?
P151 N158 1.647(6) . ?
P151 N152 1.686(6) . ?
N152 C165 1.428(8) . ?
N152 C153 1.474(9) . ?
C153 C154 1.508(10) . ?
C154 N155 1.504(8) . ?
N155 C159 1.500(8) . ?
N155 C156 1.505(9) . ?
C156 C157 1.536(9) . ?
C157 N158 1.479(8) . ?
N158 C168 1.474(8) . ?
C159 C160 1.507(9) . ?
C160 N161 1.474(8) . ?
N161 C162 1.287(8) . ?
C162 C163 1.480(9) . ?
C162 C164 1.505(9) . ?
C165 C166 1.508(10) . ?
C165 C167 1.517(9) . ?
C168 C170 1.519(9) . ?
C168 C169 1.530(10) . ?
P171 C184 1.833(7) . ?
P171 C178 1.838(7) . ?
P171 C172 1.853(7) . ?
C172 C173 1.401(10) . ?
C172 C177 1.401(9) . ?
C173 C174 1.394(11) . ?
C174 C175 1.369(11) . ?
C175 C176 1.371(10) . ?
C176 C177 1.387(10) . ?
C178 C179 1.385(10) . ?
C178 C183 1.395(9) . ?
C179 C180 1.390(10) . ?
C180 C181 1.398(11) . ?
C181 C182 1.385(11) . ?
C182 C183 1.382(10) . ?
C184 C185 1.389(9) . ?
C184 C189 1.393(9) . ?
C185 C186 1.388(9) . ?
C186 C187 1.385(10) . ?
C187 C188 1.396(10) . ?
C188 C189 1.387(9) . ?
Sb20 F205 1.858(5) . ?
Sb20 F203 1.859(5) . ?
Sb20 F204 1.872(4) . ?
Sb20 F201 1.873(4) . ?
Sb20 F202 1.880(5) . ?
Sb20 F206 1.881(4) . ?
Sb30 F301 1.852(5) . ?
Sb30 F304 1.853(5) . ?
Sb30 F303 1.855(6) . ?
Sb30 F305 1.874(5) . ?
Sb30 F302 1.890(5) . ?
Sb30 F306 1.890(5) . ?
Sb40 F402 1.858(5) . ?
Sb40 F405 1.862(6) . ?
Sb40 F401 1.868(5) . ?
Sb40 F404 1.873(5) . ?
Sb40 F406 1.875(6) . ?
Sb40 F403 1.877(5) . ?
Sb50 F506 1.844(7) . ?
Sb50 F505 1.845(8) . ?
Sb50 F504 1.857(7) . ?
Sb50 F503 1.869(8) . ?
Sb50 F501 1.895(8) . ?
Sb50 F502 1.899(9) . ?
Sb55 F555 1.839(9) . ?
Sb55 F551 1.861(8) . ?
Sb55 F554 1.864(8) . ?
Sb55 F553 1.877(9) . ?
Sb55 F552 1.888(9) . ?
Sb55 F556 1.894(8) . ?

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
N11 Rh1 P1 160.22(16) . . ?
N11 Rh1 P21 103.61(16) . . ?
P1 Rh1 P21 95.42(6) . . ?
N11 Rh1 N5 81.0(2) . . ?
P1 Rh1 N5 81.29(16) . . ?
P21 Rh1 N5 168.78(18) . . ?
N8 P1 N2 111.2(3) . . ?
N8 P1 Rh1 107.5(2) . . ?
N2 P1 Rh1 106.9(2) . . ?
C3 N2 C15 120.3(6) . . ?
C3 N2 P1 115.9(5) . . ?
C15 N2 P1 123.7(5) . . ?
N2 C3 C4 114.6(7) . . ?
N5 C4 C3 115.6(7) . . ?
C4 N5 C6 104.0(8) . . ?
C4 N5 C9 108.4(6) . . ?
C6 N5 C9 112.5(8) . . ?
C4 N5 C6' 120.0(10) . . ?
C9 N5 C6' 103.1(8) . . ?
C4 N5 Rh1 108.8(5) . . ?
C6 N5 Rh1 117.5(6) . . ?
C9 N5 Rh1 105.3(4) . . ?
C6' N5 Rh1 110.1(10) . . ?
N5 C6 C7 109.3(9) . . ?
N8 C7 C6 108.4(10) . . ?
N5 C6' C7' 117.5(13) . . ?
N8 C7' C6' 109.9(14) . . ?
C18 N8 C7 118.4(7) . . ?
C18 N8 C7' 108.2(8) . . ?
C18 N8 P1 126.7(5) . . ?
C7 N8 P1 113.9(6) . . ?
C7' N8 P1 114.1(8) . . ?
C10 C9 N5 110.8(6) . . ?
N11 C10 C9 105.9(6) . . ?
C12 N11 C10 120.5(6) . . ?
C12 N11 Rh1 131.3(5) . . ?
C10 N11 Rh1 104.5(4) . . ?
N11 C12 C14 121.3(6) . . ?
N11 C12 C13 123.1(7) . . ?
C14 C12 C13 115.6(6) . . ?
N2 C15 C17 110.9(6) . . ?
N2 C15 C16 112.3(7) . . ?
C17 C15 C16 111.4(7) . . ?
N8 C18 C20 113.4(8) . . ?
N8 C18 C19 112.1(9) . . ?
C20 C18 C19 107.7(8) . . ?
C28 P21 C34 103.8(3) . . ?
C28 P21 C22 104.1(3) . . ?
C34 P21 C22 99.0(3) . . ?
C28 P21 Rh1 115.1(2) . . ?
C34 P21 Rh1 117.0(2) . . ?
C22 P21 Rh1 115.8(2) . . ?
C23 C22 C27 116.1(6) . . ?
C23 C22 P21 120.6(5) . . ?
C27 C22 P21 123.3(5) . . ?
C22 C23 C24 122.2(7) . . ?
C25 C24 C23 120.4(7) . . ?
C24 C25 C26 118.9(7) . . ?
C27 C26 C25 120.2(7) . . ?
C26 C27 C22 122.1(7) . . ?
C33 C28 C29 117.8(6) . . ?
C33 C28 P21 118.1(5) . . ?
C29 C28 P21 124.1(5) . . ?
C30 C29 C28 121.4(7) . . ?
C29 C30 C31 119.3(7) . . ?
C32 C31 C30 120.1(7) . . ?
C33 C32 C31 119.7(7) . . ?
C32 C33 C28 121.7(6) . . ?
C39 C34 C35 118.5(6) . . ?
C39 C34 P21 117.3(5) . . ?
C35 C34 P21 124.2(5) . . ?
C34 C35 C36 120.0(7) . . ?
C37 C36 C35 120.6(7) . . ?
C36 C37 C38 119.8(7) . . ?
C39 C38 C37 120.8(7) . . ?
C38 C39 C34 120.4(7) . . ?
N61 Rh2 P51 160.30(16) . . ?
N61 Rh2 P71 103.33(16) . . ?
P51 Rh2 P71 95.64(7) . . ?
N61 Rh2 N55 81.1(2) . . ?
P51 Rh2 N55 81.29(16) . . ?
P71 Rh2 N55 168.63(18) . . ?
N52 P51 N58 113.5(5) . . ?
N52 P51 N58' 98.8(6) . . ?
N52 P51 Rh2 107.6(2) . . ?
N58 P51 Rh2 103.9(4) . . ?
N58' P51 Rh2 117.9(6) . . ?
C65 N52 C53 119.7(6) . . ?
C65 N52 P51 124.3(5) . . ?
C53 N52 P51 116.0(5) . . ?
C54 C53 N52 114.6(7) . . ?
C53 C54 N55 116.0(7) . . ?
C56 N55 C59 109.3(8) . . ?
C56' N55 C59 104.2(9) . . ?
C56 N55 C54 104.9(8) . . ?
C56' N55 C54 118.7(11) . . ?
C59 N55 C54 109.5(6) . . ?
C56 N55 Rh2 119.5(6) . . ?
C56' N55 Rh2 110.1(10) . . ?
C59 N55 Rh2 105.5(4) . . ?
C54 N55 Rh2 108.0(5) . . ?
N55 C56 C57 108.5(9) . . ?
N58 C57 C56 112.2(11) . . ?
C68 N58 C57 116.8(10) . . ?
C68 N58 P51 126.6(9) . . ?
C57 N58 P51 116.6(7) . . ?
N55 C56' C57' 121.5(15) . . ?
N58' C57' C56' 112.6(16) . . ?
C68' N58' C57' 119.7(16) . . ?
C68' N58' P51 118.1(14) . . ?
C57' N58' P51 116.5(11) . . ?
N55 C59 C60 109.9(6) . . ?
N61 C60 C59 105.2(6) . . ?
C62 N61 C60 120.7(6) . . ?
C62 N61 Rh2 130.7(5) . . ?
C60 N61 Rh2 105.0(4) . . ?
N61 C62 C64 122.1(6) . . ?
N61 C62 C63 122.2(7) . . ?
C64 C62 C63 115.7(6) . . ?
N52 C65 C66 113.6(7) . . ?
N52 C65 C67 112.6(6) . . ?
C66 C65 C67 111.7(8) . . ?
N58 C68 C69 112.9(12) . . ?
N58 C68 C70 109.4(11) . . ?
C69 C68 C70 112.7(12) . . ?
N58' C68' C69' 110.0(18) . . ?
N58' C68' C70' 109.0(18) . . ?
C69' C68' C70' 116.6(19) . . ?
C84 P71 C78 103.4(3) . . ?
C84 P71 C72 103.7(3) . . ?
C78 P71 C72 99.0(3) . . ?
C84 P71 Rh2 115.3(2) . . ?
C78 P71 Rh2 117.3(2) . . ?
C72 P71 Rh2 115.8(2) . . ?
C77 C72 C73 116.6(6) . . ?
C77 C72 P71 122.9(5) . . ?
C73 C72 P71 120.5(6) . . ?
C74 C73 C72 122.1(8) . . ?
C73 C74 C75 120.5(8) . . ?
C76 C75 C74 119.4(7) . . ?
C75 C76 C77 120.6(7) . . ?
C72 C77 C76 120.7(7) . . ?
C83 C78 C79 118.6(6) . . ?
C83 C78 P71 123.7(5) . . ?
C79 C78 P71 117.7(5) . . ?
C78 C79 C80 120.8(6) . . ?
C81 C80 C79 119.4(7) . . ?
C80 C81 C82 121.0(7) . . ?
C83 C82 C81 119.4(7) . . ?
C82 C83 C78 120.9(7) . . ?
C89 C84 C85 119.1(6) . . ?
C89 C84 P71 117.4(5) . . ?
C85 C84 P71 123.5(5) . . ?
C84 C85 C86 120.0(7) . . ?
C87 C86 C85 120.6(7) . . ?
C88 C87 C86 119.4(7) . . ?
C87 C88 C89 121.1(7) . . ?
C84 C89 C88 119.6(6) . . ?
N111 Rh3 P101 164.55(15) . . ?
N111 Rh3 N105 81.62(19) . . ?
P101 Rh3 N105 82.94(14) . . ?
N111 Rh3 P121 104.47(15) . . ?
P101 Rh3 P121 90.90(6) . . ?
N105 Rh3 P121 171.33(16) . . ?
N108 P101 N102 110.4(3) . . ?
N108 P101 Rh3 107.7(2) . . ?
N102 P101 Rh3 107.7(2) . . ?
C115 N102 C103 117.5(5) . . ?
C115 N102 P101 122.4(4) . . ?
C103 N102 P101 113.9(4) . . ?
N102 C103 C104 113.6(6) . . ?
N105 C104 C103 116.9(5) . . ?
C109 N105 C106 110.2(5) . . ?
C109 N105 C104 106.2(5) . . ?
C106 N105 C104 111.8(6) . . ?
C109 N105 Rh3 105.5(4) . . ?
C106 N105 Rh3 112.1(4) . . ?
C104 N105 Rh3 110.7(4) . . ?
N105 C106 C107 115.2(5) . . ?
N108 C107 C106 114.5(6) . . ?
C107 N108 C118 119.0(6) . . ?
C107 N108 P101 116.1(4) . . ?
C118 N108 P101 124.8(5) . . ?
N105 C109 C110 109.5(6) . . ?
N111 C110 C109 105.9(6) . . ?
C112 N111 C110 120.8(6) . . ?
C112 N111 Rh3 135.5(5) . . ?
C110 N111 Rh3 103.7(4) . . ?
N111 C112 C113 119.8(6) . . ?
N111 C112 C114 126.1(7) . . ?
C113 C112 C114 114.1(6) . . ?
N102 C115 C116 110.4(6) . . ?
N102 C115 C117 114.0(6) . . ?
C116 C115 C117 110.6(6) . . ?
N108 C118 C120 112.3(6) . . ?
N108 C118 C119 111.2(6) . . ?
C120 C118 C119 111.0(7) . . ?
C128 P121 C122 104.6(3) . . ?
C128 P121 C134 102.9(3) . . ?
C122 P121 C134 101.5(3) . . ?
C128 P121 Rh3 113.6(2) . . ?
C122 P121 Rh3 116.9(2) . . ?
C134 P121 Rh3 115.6(2) . . ?
C123 C122 C127 118.2(6) . . ?
C123 C122 P121 125.1(5) . . ?
C127 C122 P121 116.7(5) . . ?
C122 C123 C124 119.7(6) . . ?
C125 C124 C123 121.3(6) . . ?
C126 C125 C124 119.4(6) . . ?
C125 C126 C127 120.6(6) . . ?
C126 C127 C122 120.8(6) . . ?
C133 C128 C129 119.0(6) . . ?
C133 C128 P121 117.0(5) . . ?
C129 C128 P121 124.0(5) . . ?
C130 C129 C128 119.5(6) . . ?
C131 C130 C129 120.5(6) . . ?
C130 C131 C132 120.3(6) . . ?
C133 C132 C131 119.1(6) . . ?
C132 C133 C128 121.5(6) . . ?
C135 C134 C139 117.7(6) . . ?
C135 C134 P121 120.2(5) . . ?
C139 C134 P121 122.0(5) . . ?
C136 C135 C134 120.9(7) . . ?
C135 C136 C137 121.7(7) . . ?
C138 C137 C136 117.4(7) . . ?
C139 C138 C137 121.9(7) . . ?
C138 C139 C134 120.2(6) . . ?
N161 Rh4 P151 164.36(17) . . ?
N161 Rh4 N155 81.8(2) . . ?
P151 Rh4 N155 82.59(16) . . ?
N161 Rh4 P171 103.77(17) . . ?
P151 Rh4 P171 91.59(7) . . ?
N155 Rh4 P171 169.88(18) . . ?
N158 P151 N152 109.6(4) . . ?
N158 P151 Rh4 107.4(2) . . ?
N152 P151 Rh4 109.1(3) . . ?
C165 N152 C153 119.2(6) . . ?
C165 N152 P151 124.5(5) . . ?
C153 N152 P151 114.5(5) . . ?
N152 C153 C154 114.7(8) . . ?
N155 C154 C153 116.2(7) . . ?
C159 N155 C154 106.2(6) . . ?
C159 N155 C156 108.7(6) . . ?
C154 N155 C156 112.6(7) . . ?
C159 N155 Rh4 105.1(4) . . ?
C154 N155 Rh4 111.7(5) . . ?
C156 N155 Rh4 112.0(4) . . ?
N155 C156 C157 114.6(6) . . ?
N158 C157 C156 114.0(6) . . ?
C168 N158 C157 118.7(6) . . ?
C168 N158 P151 124.6(5) . . ?
C157 N158 P151 116.5(5) . . ?
N155 C159 C160 109.4(6) . . ?
N161 C160 C159 105.5(6) . . ?
C162 N161 C160 121.3(6) . . ?
C162 N161 Rh4 135.3(5) . . ?
C160 N161 Rh4 103.4(5) . . ?
N161 C162 C163 120.5(7) . . ?
N161 C162 C164 125.6(7) . . ?
C163 C162 C164 113.9(7) . . ?
N152 C165 C166 112.7(8) . . ?
N152 C165 C167 113.7(8) . . ?
C166 C165 C167 109.8(8) . . ?
N158 C168 C170 112.7(6) . . ?
N158 C168 C169 110.6(7) . . ?
C170 C168 C169 110.7(8) . . ?
C184 P171 C178 105.3(3) . . ?
C184 P171 C172 102.9(3) . . ?
C178 P171 C172 101.2(3) . . ?
C184 P171 Rh4 114.0(2) . . ?
C178 P171 Rh4 116.7(2) . . ?
C172 P171 Rh4 115.0(2) . . ?
C173 C172 C177 118.3(6) . . ?
C173 C172 P171 119.6(5) . . ?
C177 C172 P171 122.1(5) . . ?
C174 C173 C172 119.8(7) . . ?
C175 C174 C173 121.1(7) . . ?
C174 C175 C176 119.6(7) . . ?
C175 C176 C177 120.9(7) . . ?
C176 C177 C172 120.3(6) . . ?
C179 C178 C183 118.4(6) . . ?
C179 C178 P171 124.3(5) . . ?
C183 C178 P171 117.2(5) . . ?
C178 C179 C180 121.3(6) . . ?
C179 C180 C181 119.7(7) . . ?
C182 C181 C180 119.0(7) . . ?
C183 C182 C181 120.9(7) . . ?
C182 C183 C178 120.6(7) . . ?
C185 C184 C189 119.3(6) . . ?
C185 C184 P171 124.1(5) . . ?
C189 C184 P171 116.5(5) . . ?
C186 C185 C184 120.1(6) . . ?
C187 C186 C185 120.8(6) . . ?
C186 C187 C188 119.2(6) . . ?
C189 C188 C187 120.1(7) . . ?
C188 C189 C184 120.5(6) . . ?
F205 Sb20 F203 178.7(3) . . ?
F205 Sb20 F204 90.0(3) . . ?
F203 Sb20 F204 89.4(3) . . ?
F205 Sb20 F201 89.9(3) . . ?
F203 Sb20 F201 91.3(3) . . ?
F204 Sb20 F201 89.5(2) . . ?
F205 Sb20 F202 91.0(3) . . ?
F203 Sb20 F202 89.7(3) . . ?
F204 Sb20 F202 178.5(3) . . ?
F201 Sb20 F202 89.4(3) . . ?
F205 Sb20 F206 88.8(2) . . ?
F203 Sb20 F206 90.0(3) . . ?
F204 Sb20 F206 91.0(2) . . ?
F201 Sb20 F206 178.6(3) . . ?
F202 Sb20 F206 90.1(2) . . ?
F301 Sb30 F304 91.6(3) . . ?
F301 Sb30 F303 89.8(3) . . ?
F304 Sb30 F303 92.1(3) . . ?
F301 Sb30 F305 91.3(3) . . ?
F304 Sb30 F305 89.3(3) . . ?
F303 Sb30 F305 178.2(3) . . ?
F301 Sb30 F302 90.2(3) . . ?
F304 Sb30 F302 177.4(3) . . ?
F303 Sb30 F302 89.7(3) . . ?
F305 Sb30 F302 88.8(3) . . ?
F301 Sb30 F306 178.0(3) . . ?
F304 Sb30 F306 89.4(3) . . ?
F303 Sb30 F306 88.5(2) . . ?
F305 Sb30 F306 90.5(2) . . ?
F302 Sb30 F306 88.8(2) . . ?
F402 Sb40 F405 89.5(3) . . ?
F402 Sb40 F401 90.2(3) . . ?
F405 Sb40 F401 91.1(3) . . ?
F402 Sb40 F404 178.9(3) . . ?
F405 Sb40 F404 89.7(3) . . ?
F401 Sb40 F404 90.6(3) . . ?
F402 Sb40 F406 90.0(3) . . ?
F405 Sb40 F406 90.0(3) . . ?
F401 Sb40 F406 178.8(3) . . ?
F404 Sb40 F406 89.2(3) . . ?
F402 Sb40 F403 89.8(3) . . ?
F405 Sb40 F403 179.1(3) . . ?
F401 Sb40 F403 89.4(3) . . ?
F404 Sb40 F403 91.0(2) . . ?
F406 Sb40 F403 89.4(3) . . ?
F506 Sb50 F505 92.0(5) . . ?
F506 Sb50 F504 94.1(5) . . ?
F505 Sb50 F504 89.5(5) . . ?
F506 Sb50 F503 88.1(5) . . ?
F505 Sb50 F503 178.0(6) . . ?
F504 Sb50 F503 88.5(5) . . ?
F506 Sb50 F501 176.1(5) . . ?
F505 Sb50 F501 89.0(5) . . ?
F504 Sb50 F501 89.6(4) . . ?
F503 Sb50 F501 91.0(5) . . ?
F506 Sb50 F502 89.4(5) . . ?
F505 Sb50 F502 91.5(6) . . ?
F504 Sb50 F502 176.3(5) . . ?
F503 Sb50 F502 90.4(5) . . ?
F501 Sb50 F502 86.9(5) . . ?
F555 Sb55 F551 93.8(6) . . ?
F555 Sb55 F554 89.4(6) . . ?
F551 Sb55 F554 90.4(5) . . ?
F555 Sb55 F553 175.7(6) . . ?
F551 Sb55 F553 90.1(6) . . ?
F554 Sb55 F553 88.8(6) . . ?
F555 Sb55 F552 92.3(7) . . ?
F551 Sb55 F552 90.9(6) . . ?
F554 Sb55 F552 177.7(7) . . ?
F553 Sb55 F552 89.3(6) . . ?
F555 Sb55 F556 89.4(6) . . ?
F551 Sb55 F556 176.8(7) . . ?
F554 Sb55 F556 89.8(5) . . ?
F553 Sb55 F556 86.7(5) . . ?
F552 Sb55 F556 88.8(6) . . ?

_refine_diff_density_max         1.870
_refine_diff_density_min         -1.405
_refine_diff_density_rms         0.109



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

data_13197
_database_code_depnum_ccdc_archive 'CCDC 2100809'
loop_
_audit_author_name
_audit_author_address
'Thomas Weyhermueller'
;Max Planck Institute for Chemical Energy Conversion
Germany
;
_audit_update_record             
;
2021-08-02 deposited with the CCDC.	2021-11-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_audit_creation_date             2020-06-30
_audit_block_code                CWG-WC-076-04
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: tetrahydrofuran, pentane'
_chemical_melting_point          ?
_chemical_formula_moiety         'C23 H45 N4 P Rh, F6 Sb'
_chemical_formula_sum            'C23 H45 F6 N4 P Rh Sb'
_chemical_formula_weight         747.26

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'
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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'

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

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

_cell_length_a                   10.6090(6)
_cell_length_b                   20.4571(12)
_cell_length_c                   26.0864(15)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5661.5(6)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9646
_cell_measurement_theta_min      2.2991
_cell_measurement_theta_max      34.8522

loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0.00 0.00 -1.00 0.0200
0.00 0.00 1.00 0.0050
0.00 1.00 0.00 0.0200
0.00 -1.00 0.00 0.0150
1.00 0.00 0.00 0.0150
-1.00 0.00 0.00 0.0350

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.753
_exptl_crystal_F_000             3008
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.071
_exptl_crystal_size_mid          0.042
_exptl_crystal_size_min          0.041
_exptl_absorpt_coefficient_mu    1.653
_shelx_estimated_absorpt_T_min   0.892
_shelx_estimated_absorpt_T_max   0.935
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   'SADABS (Bruker AXS, 2012)'
_exptl_absorpt_correction_T_min  0.92590
_exptl_absorpt_correction_T_max  0.96139
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         1\mS
_diffrn_radiation_monochromator  'Incoatec Helios mirrors'
_diffrn_measurement_device_type  'Bruker-AXS Kappa Mach3 APEX-II'
_diffrn_measurement_method       'CCD φ- and ω-scans'
_diffrn_detector_area_resol_mean 66.67
_diffrn_reflns_number            216260
_diffrn_reflns_av_unetI/netI     0.0171
_diffrn_reflns_av_R_equivalents  0.0393
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_theta_min         1.561
_diffrn_reflns_theta_max         35.100
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             12490
_reflns_number_gt                10883
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'APEX3 (Bruker AXS, 2005-2017)'
_computing_cell_refinement       'SAINT software (Bruker AXS, 2004)'
_computing_data_reduction        'SAINT software (Bruker AXS, 2004)'
_computing_structure_solution    'SHELXS (G. M. Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0180P)²+5.4193P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12490
_refine_ls_number_parameters     346
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0324
_refine_ls_R_factor_gt           0.0248
_refine_ls_wR_factor_ref         0.0557
_refine_ls_wR_factor_gt          0.0526
_refine_ls_goodness_of_fit_ref   1.135
_refine_ls_restrained_S_all      1.135
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.85669(2) 0.10845(2) 0.09095(2) 0.01032(2) Uani 1 1 d . . . . .
P1 P 0.71986(3) 0.11982(2) 0.15897(2) 0.01125(6) Uani 1 1 d . . . . .
H1 H 0.7907(18) 0.1279(9) 0.2009(8) 0.014 Uiso 1 1 d . U . . .
N2 N 0.64095(11) 0.19042(6) 0.16175(4) 0.0132(2) Uani 1 1 d . . . . .
C3 C 0.58030(13) 0.21480(7) 0.11514(5) 0.0145(2) Uani 1 1 d . . . . .
H3A H 0.644958 0.222586 0.088469 0.017 Uiso 1 1 calc R U . . .
H3B H 0.538056 0.256916 0.122523 0.017 Uiso 1 1 calc R U . . .
C4 C 0.48377(13) 0.16581(7) 0.09540(6) 0.0168(2) Uani 1 1 d . . . . .
H4A H 0.412060 0.162925 0.119581 0.020 Uiso 1 1 calc R U . . .
H4B H 0.451064 0.180185 0.061695 0.020 Uiso 1 1 calc R U . . .
N5 N 0.54441(11) 0.10172(6) 0.09041(5) 0.0142(2) Uani 1 1 d . . . . .
C6 C 0.47490(14) 0.04861(8) 0.11528(6) 0.0186(3) Uani 1 1 d . . . . .
H6A H 0.504576 0.005787 0.102365 0.022 Uiso 1 1 calc R U . . .
H6B H 0.383676 0.052572 0.107913 0.022 Uiso 1 1 calc R U . . .
C7 C 0.49828(13) 0.05385(8) 0.17235(6) 0.0177(3) Uani 1 1 d . . . . .
H7A H 0.457959 0.093945 0.185876 0.021 Uiso 1 1 calc R U . . .
H7B H 0.460906 0.015721 0.190096 0.021 Uiso 1 1 calc R U . . .
N8 N 0.63389(11) 0.05607(6) 0.18195(5) 0.0147(2) Uani 1 1 d . . . . .
C9 C 0.58937(14) 0.08969(7) 0.03822(6) 0.0170(3) Uani 1 1 d . . . . .
H9A H 0.644284 0.126443 0.027699 0.020 Uiso 1 1 calc R U . . .
H9B H 0.516051 0.088887 0.014751 0.020 Uiso 1 1 calc R U . . .
C10 C 0.66254(14) 0.02585(7) 0.03224(6) 0.0184(3) Uani 1 1 d . . . . .
H10A H 0.604318 -0.011466 0.037077 0.022 Uiso 1 1 calc R U . . .
H10B H 0.697116 0.023231 -0.002945 0.022 Uiso 1 1 calc R U . . .
N11 N 0.76648(11) 0.02078(6) 0.06940(5) 0.0141(2) Uani 1 1 d . . . . .
C12 C 0.62148(14) 0.22652(7) 0.21036(6) 0.0168(3) Uani 1 1 d . . . . .
H12 H 0.669796 0.202876 0.237560 0.020 Uiso 1 1 calc R U . . .
C13 C 0.48408(16) 0.22837(9) 0.22746(7) 0.0253(3) Uani 1 1 d . . . . .
H13A H 0.433236 0.250294 0.201222 0.038 Uiso 1 1 calc R U . . .
H13B H 0.477439 0.252379 0.259854 0.038 Uiso 1 1 calc R U . . .
H13C H 0.453251 0.183633 0.232279 0.038 Uiso 1 1 calc R U . . .
C14 C 0.67564(18) 0.29540(8) 0.20701(7) 0.0246(3) Uani 1 1 d . . . . .
H14A H 0.763610 0.293178 0.195682 0.037 Uiso 1 1 calc R U . . .
H14B H 0.671575 0.316215 0.240806 0.037 Uiso 1 1 calc R U . . .
H14C H 0.626553 0.321106 0.182380 0.037 Uiso 1 1 calc R U . . .
C15 C 0.68018(14) 0.01967(7) 0.22699(5) 0.0154(2) Uani 1 1 d . . . . .
H15 H 0.774292 0.022415 0.226657 0.018 Uiso 1 1 calc R U . . .
C16 C 0.63520(19) 0.04909(9) 0.27759(6) 0.0259(3) Uani 1 1 d . . . . .
H16A H 0.664884 0.094327 0.280272 0.039 Uiso 1 1 calc R U . . .
H16B H 0.668967 0.023467 0.306210 0.039 Uiso 1 1 calc R U . . .
H16C H 0.542880 0.048362 0.278771 0.039 Uiso 1 1 calc R U . . .
C17 C 0.64507(17) -0.05265(8) 0.22325(7) 0.0226(3) Uani 1 1 d . . . . .
H17A H 0.554956 -0.057978 0.230378 0.034 Uiso 1 1 calc R U . . .
H17B H 0.694128 -0.077663 0.248315 0.034 Uiso 1 1 calc R U . . .
H17C H 0.663602 -0.068660 0.188653 0.034 Uiso 1 1 calc R U . . .
C18 C 0.80184(13) -0.03538(7) 0.08600(6) 0.0158(2) Uani 1 1 d . . . . .
C19 C 0.90609(14) -0.03939(8) 0.12456(6) 0.0190(3) Uani 1 1 d . . . . .
H19A H 0.931094 0.004819 0.134850 0.029 Uiso 1 1 calc R U . . .
H19B H 0.978506 -0.061965 0.109377 0.029 Uiso 1 1 calc R U . . .
H19C H 0.876893 -0.063658 0.154698 0.029 Uiso 1 1 calc R U . . .
C20 C 0.74671(16) -0.09982(7) 0.06950(7) 0.0209(3) Uani 1 1 d . . . . .
H20A H 0.664751 -0.106112 0.086113 0.031 Uiso 1 1 calc R U . . .
H20B H 0.803732 -0.135312 0.079443 0.031 Uiso 1 1 calc R U . . .
H20C H 0.735744 -0.100002 0.032196 0.031 Uiso 1 1 calc R U . . .
C31 C 0.90532(13) 0.20983(7) 0.09538(6) 0.0137(2) Uani 1 1 d . . . . .
H31 H 0.8383(19) 0.2321(10) 0.1147(8) 0.016 Uiso 1 1 d . U . . .
C32 C 0.99306(13) 0.17363(7) 0.12362(5) 0.0135(2) Uani 1 1 d . . . . .
H32 H 0.9786(19) 0.1730(10) 0.1592(7) 0.016 Uiso 1 1 d . U . . .
C33 C 1.12690(13) 0.15925(7) 0.10644(6) 0.0151(2) Uani 1 1 d . . . . .
H33A H 1.182638 0.158441 0.136875 0.018 Uiso 1 1 calc R U . . .
H33B H 1.156026 0.194988 0.083759 0.018 Uiso 1 1 calc R U . . .
C34 C 1.13909(13) 0.09383(7) 0.07775(6) 0.0159(2) Uani 1 1 d . . . . .
H34A H 1.213553 0.095857 0.054931 0.019 Uiso 1 1 calc R U . . .
H34B H 1.153947 0.058567 0.103031 0.019 Uiso 1 1 calc R U . . .
C35 C 1.02525(13) 0.07680(7) 0.04630(5) 0.0141(2) Uani 1 1 d . . . . .
H35 H 1.0123(19) 0.0314(10) 0.0418(7) 0.017 Uiso 1 1 d . U . . .
C36 C 0.95837(13) 0.11901(7) 0.01538(5) 0.0149(2) Uani 1 1 d . . . . .
H36 H 0.8997(19) 0.1004(10) -0.0075(8) 0.018 Uiso 1 1 d . U . . .
C37 C 0.99400(14) 0.18971(7) 0.00594(6) 0.0168(2) Uani 1 1 d . . . . .
H37A H 0.974334 0.201212 -0.030050 0.020 Uiso 1 1 calc R U . . .
H37B H 1.085943 0.194986 0.010949 0.020 Uiso 1 1 calc R U . . .
C38 C 0.92376(14) 0.23679(7) 0.04196(6) 0.0170(2) Uani 1 1 d . . . . .
H38A H 0.971691 0.278217 0.044227 0.020 Uiso 1 1 calc R U . . .
H38B H 0.840244 0.246905 0.027003 0.020 Uiso 1 1 calc R U . . .
Sb40 Sb 0.20846(2) 0.36492(2) 0.11983(2) 0.01510(2) Uani 1 1 d . . . . .
F41 F 0.27552(11) 0.43632(5) 0.08344(4) 0.0281(2) Uani 1 1 d . . . . .
F42 F 0.17843(11) 0.42074(5) 0.17536(4) 0.0292(2) Uani 1 1 d . . . . .
F43 F 0.37060(11) 0.34631(6) 0.14379(6) 0.0370(3) Uani 1 1 d . . . . .
F44 F 0.23544(12) 0.31097(5) 0.06272(4) 0.0306(2) Uani 1 1 d . . . . .
F45 F 0.04866(11) 0.38501(6) 0.09361(5) 0.0381(3) Uani 1 1 d . . . . .
F46 F 0.14411(13) 0.29486(6) 0.15717(4) 0.0349(3) 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 N11 2.1091(12) . ?
Rh1 C31 2.1403(14) . ?
Rh1 C32 2.1441(13) . ?
Rh1 C35 2.2302(14) . ?
Rh1 C36 2.2577(14) . ?
Rh1 P1 2.3042(4) . ?
P1 N2 1.6711(12) . ?
P1 N8 1.7006(12) . ?
N2 C3 1.4632(18) . ?
N2 C12 1.4820(19) . ?
C3 C4 1.523(2) . ?
C4 N5 1.4662(19) . ?
N5 C9 1.463(2) . ?
N5 C6 1.4646(19) . ?
C6 C7 1.513(2) . ?
C7 N8 1.4611(18) . ?
N8 C15 1.4751(18) . ?
C9 C10 1.527(2) . ?
C10 N11 1.4719(19) . ?
N11 C18 1.2837(19) . ?
C12 C14 1.524(2) . ?
C12 C13 1.525(2) . ?
C15 C16 1.527(2) . ?
C15 C17 1.529(2) . ?
C18 C19 1.497(2) . ?
C18 C20 1.505(2) . ?
C31 C32 1.399(2) . ?
C31 C38 1.512(2) . ?
C32 C33 1.518(2) . ?
C33 C34 1.539(2) . ?
C34 C35 1.501(2) . ?
C35 C36 1.378(2) . ?
C36 C37 1.515(2) . ?
C37 C38 1.538(2) . ?
Sb40 F46 1.8625(11) . ?
Sb40 F43 1.8694(11) . ?
Sb40 F42 1.8719(10) . ?
Sb40 F45 1.8736(11) . ?
Sb40 F44 1.8760(10) . ?
Sb40 F41 1.8817(10) . ?

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
N11 Rh1 C31 161.39(5) . . ?
N11 Rh1 C32 160.21(5) . . ?
C31 Rh1 C32 38.12(5) . . ?
N11 Rh1 C35 88.73(5) . . ?
C31 Rh1 C35 96.68(5) . . ?
C32 Rh1 C35 81.21(5) . . ?
N11 Rh1 C36 93.75(5) . . ?
C31 Rh1 C36 80.75(5) . . ?
C32 Rh1 C36 88.00(5) . . ?
C35 Rh1 C36 35.76(5) . . ?
N11 Rh1 P1 90.30(3) . . ?
C31 Rh1 P1 90.71(4) . . ?
C32 Rh1 P1 93.23(4) . . ?
C35 Rh1 P1 159.49(4) . . ?
C36 Rh1 P1 164.53(4) . . ?
N2 P1 N8 112.26(6) . . ?
N2 P1 Rh1 115.87(4) . . ?
N8 P1 Rh1 122.14(5) . . ?
C3 N2 C12 118.68(11) . . ?
C3 N2 P1 118.61(9) . . ?
C12 N2 P1 122.53(9) . . ?
N2 C3 C4 110.63(11) . . ?
N5 C4 C3 108.88(11) . . ?
C9 N5 C6 116.84(12) . . ?
C9 N5 C4 112.09(11) . . ?
C6 N5 C4 113.77(12) . . ?
N5 C6 C7 107.50(12) . . ?
N8 C7 C6 109.41(12) . . ?
C7 N8 C15 116.66(11) . . ?
C7 N8 P1 119.44(10) . . ?
C15 N8 P1 119.30(10) . . ?
N5 C9 C10 113.86(12) . . ?
N11 C10 C9 111.95(12) . . ?
C18 N11 C10 120.27(12) . . ?
C18 N11 Rh1 122.58(10) . . ?
C10 N11 Rh1 117.11(9) . . ?
N2 C12 C14 111.03(12) . . ?
N2 C12 C13 113.32(13) . . ?
C14 C12 C13 110.74(13) . . ?
N8 C15 C16 112.66(12) . . ?
N8 C15 C17 110.89(12) . . ?
C16 C15 C17 111.12(13) . . ?
N11 C18 C19 119.44(13) . . ?
N11 C18 C20 125.02(14) . . ?
C19 C18 C20 115.54(13) . . ?
C32 C31 C38 126.33(13) . . ?
C32 C31 Rh1 71.09(8) . . ?
C38 C31 Rh1 109.57(9) . . ?
C31 C32 C33 124.73(13) . . ?
C31 C32 Rh1 70.79(8) . . ?
C33 C32 Rh1 113.16(9) . . ?
C32 C33 C34 113.00(11) . . ?
C35 C34 C33 113.58(11) . . ?
C36 C35 C34 126.06(13) . . ?
C36 C35 Rh1 73.21(8) . . ?
C34 C35 Rh1 106.99(9) . . ?
C35 C36 C37 124.38(13) . . ?
C35 C36 Rh1 71.03(8) . . ?
C37 C36 Rh1 110.64(9) . . ?
C36 C37 C38 112.19(12) . . ?
C31 C38 C37 113.42(12) . . ?
F46 Sb40 F43 90.33(6) . . ?
F46 Sb40 F42 90.13(5) . . ?
F43 Sb40 F42 91.26(6) . . ?
F46 Sb40 F45 91.61(6) . . ?
F43 Sb40 F45 177.84(6) . . ?
F42 Sb40 F45 89.69(5) . . ?
F46 Sb40 F44 91.07(5) . . ?
F43 Sb40 F44 90.31(6) . . ?
F42 Sb40 F44 178.02(5) . . ?
F45 Sb40 F44 88.70(6) . . ?
F46 Sb40 F41 178.69(5) . . ?
F43 Sb40 F41 88.79(5) . . ?
F42 Sb40 F41 88.92(5) . . ?
F45 Sb40 F41 89.29(6) . . ?
F44 Sb40 F41 89.90(5) . . ?

_refine_diff_density_max         1.335
_refine_diff_density_min         -0.962
_refine_diff_density_rms         0.094


_chemical_properties_physical    Air-sensitive,Moisture-sensitive
