#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/50/7015015.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7015015
loop_
_publ_author_name
'Conifer, Christopher M.'
'Taylor, Russell A.'
'Law, David J.'
'Sunley, Glenn J.'
'White, Andrew J. P.'
'Britovsek, George J. P.'
_publ_section_title
;
 First metal complexes of 6,6'-dihydroxy-2,2'-bipyridine: from
 molecular wires to applications in carbonylation catalysis.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1031
_journal_page_last               1033
_journal_paper_doi               10.1039/c0dt01526a
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety
'C12 H8 N2 O4 Rh, F6 Sb, 2.4(C3 H6 O), 0.6(C4 H10 O)'
_chemical_formula_sum            'C21.6 H28.4 F6 N2 O7 Rh Sb'
_chemical_formula_weight         766.72
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.653(3)
_cell_angle_beta                 98.711(3)
_cell_angle_gamma                109.593(3)
_cell_formula_units_Z            10
_cell_length_a                   16.5179(5)
_cell_length_b                   18.8624(6)
_cell_length_c                   24.3868(7)
_cell_measurement_reflns_used    13881
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      71.1900
_cell_measurement_theta_min      2.5333
_cell_volume                     6936.2(4)
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 8.2556
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'OD Xcalibur PX Ultra'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance Ultra (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0792
_diffrn_reflns_av_sigmaI/netI    0.0725
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            100324
_diffrn_reflns_theta_full        71.00
_diffrn_reflns_theta_max         71.41
_diffrn_reflns_theta_min         2.54
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    13.296
_exptl_absorpt_correction_T_max  0.640
_exptl_absorpt_correction_T_min  0.140
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET)
(compiled May 6 2009,17:20:42)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.836
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'platy needles'
_exptl_crystal_F_000             3780
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.04
_platon_squeeze_details
;
Before SQUEEZE, 9 Me2CO and 2Et2O had been identified.
SQUEEZE suggested 1005 e/cell, or 503 e/asu
Me2CO = 32e, Et2O = 42e.
4.5Me2CO + 1Et2O = 186. 2.7 X 186 = 502.
So, 502 e/asu is close to 12Me2CO + 3Et2O, and retains a similar
ratio to that seen before SQUEEZE.
;
_refine_diff_density_max         1.218
_refine_diff_density_min         -0.870
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.785
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1305
_refine_ls_number_reflns         26538
_refine_ls_number_restraints     10038
_refine_ls_restrained_S_all      0.928
_refine_ls_R_factor_all          0.0975
_refine_ls_R_factor_gt           0.0507
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0713P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1193
_refine_ls_wR_factor_ref         0.1305
_reflns_number_gt                12345
_reflns_number_total             26538
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0DT01526A.TXT
_cod_data_source_block           '[Rh(1)(CO)2](SbF6)'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C21.60 H28.40 F6 N2 O7 Rh Sb'
_cod_database_code               7015015
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1A Rh -0.00742(4) 0.15168(3) 0.21773(2) 0.05731(15) Uani 1 1 d . . .
N1A N 0.0253(4) 0.1885(4) 0.3055(2) 0.0553(15) Uani 1 1 d . . .
C2A C 0.0165(5) 0.1422(5) 0.3443(4) 0.069(2) Uani 1 1 d . . .
C3A C 0.0425(5) 0.1736(5) 0.4031(3) 0.066(2) Uani 1 1 d . . .
H3AA H 0.0364 0.1410 0.4299 0.079 Uiso 1 1 calc R . .
C4A C 0.0768(5) 0.2522(5) 0.4206(3) 0.070(2) Uani 1 1 d . . .
H4AA H 0.0938 0.2741 0.4599 0.084 Uiso 1 1 calc R . .
C5A C 0.0865(5) 0.2986(5) 0.3817(3) 0.064(2) Uani 1 1 d . . .
H5AA H 0.1110 0.3528 0.3942 0.077 Uiso 1 1 calc R . .
C6A C 0.0609(5) 0.2674(5) 0.3240(3) 0.0567(18) Uani 1 1 d . . .
C7A C 0.0688(5) 0.3118(4) 0.2794(3) 0.0554(18) Uani 1 1 d . . .
C8A C 0.1050(5) 0.3914(5) 0.2910(4) 0.069(2) Uani 1 1 d . . .
H8AA H 0.1260 0.4194 0.3289 0.083 Uiso 1 1 calc R . .
C9A C 0.1095(6) 0.4286(5) 0.2458(4) 0.081(3) Uani 1 1 d . . .
H9AA H 0.1353 0.4830 0.2526 0.097 Uiso 1 1 calc R . .
C10A C 0.0779(7) 0.3887(5) 0.1922(4) 0.085(3) Uani 1 1 d . . .
H10A H 0.0794 0.4149 0.1614 0.102 Uiso 1 1 calc R . .
C11A C 0.0439(6) 0.3106(5) 0.1826(3) 0.066(2) Uani 1 1 d . . .
N12A N 0.0397(4) 0.2717(3) 0.2258(2) 0.0578(15) Uani 1 1 d . . .
O13A O -0.0170(4) 0.0676(3) 0.3240(2) 0.0736(15) Uani 1 1 d . . .
O14A O 0.0131(5) 0.2669(4) 0.1305(3) 0.0949(19) Uani 1 1 d . . .
C15A C -0.0344(6) 0.1238(5) 0.1384(3) 0.073(2) Uani 1 1 d . . .
O15A O -0.0501(5) 0.1022(4) 0.0923(3) 0.111(2) Uani 1 1 d . . .
C16A C -0.0437(6) 0.0442(6) 0.2147(3) 0.072(2) Uani 1 1 d . . .
O16A O -0.0659(5) -0.0201(4) 0.2082(3) 0.094(2) Uani 1 1 d . . .
Rh1B Rh 0.19492(4) 0.15493(4) 0.21610(3) 0.06396(16) Uani 1 1 d . . .
N1B N 0.1896(4) 0.1033(4) 0.2869(3) 0.0655(17) Uani 1 1 d . . .
C2B C 0.1630(5) 0.0276(5) 0.2878(4) 0.066(2) Uani 1 1 d . . .
C3B C 0.1649(5) -0.0015(6) 0.3360(4) 0.084(3) Uani 1 1 d . . .
H3BA H 0.1478 -0.0551 0.3350 0.101 Uiso 1 1 calc R . .
C4B C 0.1933(6) 0.0519(6) 0.3873(4) 0.082(3) Uani 1 1 d . . .
H4BA H 0.1934 0.0340 0.4219 0.099 Uiso 1 1 calc R . .
C5B C 0.2199(5) 0.1261(6) 0.3886(4) 0.073(2) Uani 1 1 d . . .
H5BA H 0.2388 0.1610 0.4239 0.087 Uiso 1 1 calc R . .
C6B C 0.2204(5) 0.1535(5) 0.3397(4) 0.072(2) Uani 1 1 d . . .
C7B C 0.2504(5) 0.2347(5) 0.3351(4) 0.064(2) Uani 1 1 d . . .
C8B C 0.2846(5) 0.2924(6) 0.3833(4) 0.083(3) Uani 1 1 d . . .
H8BA H 0.2880 0.2804 0.4200 0.100 Uiso 1 1 calc R . .
C9B C 0.3139(6) 0.3690(6) 0.3762(5) 0.090(3) Uani 1 1 d . . .
H9BA H 0.3367 0.4096 0.4085 0.108 Uiso 1 1 calc R . .
C10B C 0.3099(5) 0.3854(6) 0.3233(5) 0.082(3) Uani 1 1 d . . .
H10B H 0.3294 0.4371 0.3184 0.098 Uiso 1 1 calc R . .
C11B C 0.2765(5) 0.3245(5) 0.2760(5) 0.083(3) Uani 1 1 d . . .
N12B N 0.2453(4) 0.2498(4) 0.2825(3) 0.0655(17) Uani 1 1 d . . .
O13B O 0.1376(4) -0.0179(3) 0.2363(2) 0.0788(16) Uani 1 1 d . . .
O14B O 0.2717(4) 0.3363(3) 0.2235(3) 0.0891(18) Uani 1 1 d . . .
C15B C 0.2011(6) 0.2049(5) 0.1561(4) 0.076(2) Uani 1 1 d . . .
O15B O 0.2080(5) 0.2306(4) 0.1164(3) 0.110(2) Uani 1 1 d . . .
C16B C 0.1492(6) 0.0660(5) 0.1604(4) 0.074(2) Uani 1 1 d . . .
O16B O 0.1209(5) 0.0158(4) 0.1227(3) 0.107(2) Uani 1 1 d . . .
Rh1C Rh 0.39530(4) 0.15604(4) 0.20999(3) 0.06369(16) Uani 1 1 d . . .
N1C N 0.3543(4) 0.0406(4) 0.2185(3) 0.0607(16) Uani 1 1 d . . .
C2C C 0.3237(5) -0.0227(5) 0.1757(4) 0.070(2) Uani 1 1 d . . .
C3C C 0.2986(6) -0.0965(5) 0.1859(4) 0.075(2) Uani 1 1 d . . .
H3CA H 0.2796 -0.1398 0.1557 0.089 Uiso 1 1 calc R . .
C4C C 0.3020(6) -0.1049(5) 0.2394(4) 0.078(2) Uani 1 1 d . . .
H4CA H 0.2822 -0.1551 0.2474 0.094 Uiso 1 1 calc R . .
C5C C 0.3346(5) -0.0404(5) 0.2849(3) 0.071(2) Uani 1 1 d . . .
H5CA H 0.3378 -0.0468 0.3231 0.085 Uiso 1 1 calc R . .
C6C C 0.3604(5) 0.0291(5) 0.2724(3) 0.0573(19) Uani 1 1 d . . .
C7C C 0.3958(5) 0.0987(5) 0.3158(3) 0.0583(19) Uani 1 1 d . . .
C8C C 0.4059(5) 0.0977(5) 0.3745(3) 0.067(2) Uani 1 1 d . . .
H8CA H 0.3911 0.0508 0.3877 0.081 Uiso 1 1 calc R . .
C9C C 0.4377(5) 0.1671(6) 0.4115(4) 0.074(2) Uani 1 1 d . . .
H9CA H 0.4442 0.1671 0.4509 0.088 Uiso 1 1 calc R . .
C10C C 0.4603(5) 0.2354(6) 0.3947(4) 0.078(2) Uani 1 1 d . . .
H10C H 0.4834 0.2829 0.4210 0.094 Uiso 1 1 calc R . .
C11C C 0.4473(5) 0.2317(6) 0.3353(4) 0.071(2) Uani 1 1 d . . .
N12C N 0.4171(4) 0.1669(4) 0.2970(3) 0.0614(16) Uani 1 1 d . . .
O13C O 0.3258(4) -0.0067(3) 0.1238(2) 0.0900(18) Uani 1 1 d . . .
O14C O 0.4683(4) 0.2975(3) 0.3164(3) 0.0836(17) Uani 1 1 d . . .
C15C C 0.4314(6) 0.2592(5) 0.2079(4) 0.072(2) Uani 1 1 d . . .
O15C O 0.4549(4) 0.3198(4) 0.2003(3) 0.100(2) Uani 1 1 d . . .
C16C C 0.3722(7) 0.1427(6) 0.1318(4) 0.087(3) Uani 1 1 d . . .
O16C O 0.3628(6) 0.1382(5) 0.0835(3) 0.122(3) Uani 1 1 d . . .
Rh1D Rh 0.59005(4) 0.14833(4) 0.20640(3) 0.06766(17) Uani 1 1 d . . .
N1D N 0.6232(4) 0.1886(4) 0.2930(3) 0.0600(16) Uani 1 1 d . . .
C2D C 0.6124(5) 0.1443(5) 0.3321(4) 0.068(2) Uani 1 1 d . . .
C3D C 0.6379(5) 0.1776(5) 0.3902(4) 0.068(2) Uani 1 1 d . . .
H3DA H 0.6311 0.1457 0.4176 0.082 Uiso 1 1 calc R . .
C4D C 0.6716(5) 0.2535(5) 0.4070(4) 0.071(2) Uani 1 1 d . . .
H4DA H 0.6898 0.2756 0.4462 0.085 Uiso 1 1 calc R . .
C5D C 0.6801(5) 0.3004(5) 0.3673(4) 0.069(2) Uani 1 1 d . . .
H5DA H 0.7019 0.3546 0.3789 0.082 Uiso 1 1 calc R . .
C6D C 0.6562(5) 0.2665(5) 0.3105(3) 0.0598(19) Uani 1 1 d . . .
C7D C 0.6659(5) 0.3100(5) 0.2663(3) 0.067(2) Uani 1 1 d . . .
C8D C 0.6983(6) 0.3908(5) 0.2756(4) 0.076(2) Uani 1 1 d . . .
H8DA H 0.7171 0.4206 0.3130 0.091 Uiso 1 1 calc R . .
C9D C 0.7020(6) 0.4259(5) 0.2292(4) 0.083(3) Uani 1 1 d . . .
H9DA H 0.7258 0.4803 0.2350 0.100 Uiso 1 1 calc R . .
C10D C 0.6724(7) 0.3843(6) 0.1759(4) 0.089(3) Uani 1 1 d . . .
H10D H 0.6737 0.4097 0.1447 0.107 Uiso 1 1 calc R . .
C11D C 0.6399(7) 0.3042(7) 0.1663(4) 0.094(3) Uani 1 1 d . . .
N12D N 0.6356(4) 0.2657(4) 0.2119(3) 0.0659(17) Uani 1 1 d . . .
O13D O 0.5786(4) 0.0694(3) 0.3134(3) 0.0826(17) Uani 1 1 d . . .
O14D O 0.6083(5) 0.2587(4) 0.1163(2) 0.098(2) Uani 1 1 d . . .
C15D C 0.5607(7) 0.1183(6) 0.1285(4) 0.087(3) Uani 1 1 d . . .
O15D O 0.5420(5) 0.0924(4) 0.0812(3) 0.115(2) Uani 1 1 d . . .
C16D C 0.5526(6) 0.0450(5) 0.2045(4) 0.079(3) Uani 1 1 d . . .
O16D O 0.5285(4) -0.0199(4) 0.1997(3) 0.101(2) Uani 1 1 d . . .
Rh1E Rh 0.79630(4) 0.15509(3) 0.22045(2) 0.06003(16) Uani 1 1 d . . .
N1E N 0.7863(4) 0.0944(4) 0.2865(3) 0.0628(16) Uani 1 1 d . . .
C2E C 0.7555(5) 0.0178(5) 0.2792(4) 0.075(2) Uani 1 1 d . . .
C3E C 0.7479(6) -0.0198(5) 0.3271(4) 0.083(3) Uani 1 1 d . . .
H3EA H 0.7250 -0.0742 0.3220 0.099 Uiso 1 1 calc R . .
C4E C 0.7755(6) 0.0267(6) 0.3812(4) 0.081(3) Uani 1 1 d . . .
H4EA H 0.7721 0.0043 0.4138 0.097 Uiso 1 1 calc R . .
C5E C 0.8075(5) 0.1050(5) 0.3864(3) 0.067(2) Uani 1 1 d . . .
H5EA H 0.8263 0.1363 0.4232 0.081 Uiso 1 1 calc R . .
C6E C 0.8133(5) 0.1395(4) 0.3410(3) 0.0569(19) Uani 1 1 d . . .
C7E C 0.8466(5) 0.2211(4) 0.3435(3) 0.0590(19) Uani 1 1 d . . .
C8E C 0.8775(5) 0.2739(5) 0.3933(4) 0.070(2) Uani 1 1 d . . .
H8EA H 0.8783 0.2572 0.4284 0.084 Uiso 1 1 calc R . .
C9E C 0.9064(6) 0.3490(6) 0.3925(4) 0.084(3) Uani 1 1 d . . .
H9EA H 0.9276 0.3854 0.4271 0.101 Uiso 1 1 calc R . .
C10E C 0.9058(5) 0.3743(5) 0.3415(4) 0.071(2) Uani 1 1 d . . .
H10E H 0.9261 0.4276 0.3408 0.085 Uiso 1 1 calc R . .
C11E C 0.8750(5) 0.3200(5) 0.2919(4) 0.068(2) Uani 1 1 d . . .
N12E N 0.8467(4) 0.2441(4) 0.2915(3) 0.0604(16) Uani 1 1 d . . .
O13E O 0.7316(4) -0.0226(3) 0.2272(2) 0.0869(18) Uani 1 1 d . . .
O14E O 0.8726(4) 0.3392(3) 0.2412(3) 0.0793(16) Uani 1 1 d . . .
C15E C 0.8015(6) 0.2125(5) 0.1637(4) 0.073(2) Uani 1 1 d . . .
O15E O 0.8028(5) 0.2443(4) 0.1275(3) 0.106(2) Uani 1 1 d . . .
C16E C 0.7514(6) 0.0731(6) 0.1602(4) 0.080(3) Uani 1 1 d . . .
O16E O 0.7247(5) 0.0275(4) 0.1185(3) 0.110(2) Uani 1 1 d . . .
Sb1 Sb 0.23667(5) 0.84427(4) 0.43993(3) 0.08410(19) Uani 1 1 d D . .
F11 F 0.1628(6) 0.7805(5) 0.4777(4) 0.120(3) Uani 0.781(9) 1 d PDU A 1
F12 F 0.2393(6) 0.7619(5) 0.3923(4) 0.144(3) Uani 0.781(9) 1 d PDU A 1
F13 F 0.3334(5) 0.8416(6) 0.4880(4) 0.139(3) Uani 0.781(9) 1 d PDU A 1
F14 F 0.2366(7) 0.9264(4) 0.4887(4) 0.140(4) Uani 0.781(9) 1 d PDU A 1
F15 F 0.1380(4) 0.8433(6) 0.3902(3) 0.127(3) Uani 0.781(9) 1 d PDU A 1
F16 F 0.3110(5) 0.9119(5) 0.4040(3) 0.120(3) Uani 0.781(9) 1 d PDU A 1
F11' F 0.1517(15) 0.7873(15) 0.4747(12) 0.130(10) Uiso 0.219(9) 1 d PDU A 2
F12' F 0.1808(18) 0.7793(14) 0.3723(7) 0.165(9) Uiso 0.219(9) 1 d PDU A 2
F13' F 0.3043(16) 0.7883(14) 0.4561(11) 0.123(8) Uiso 0.219(9) 1 d PDU A 2
F14' F 0.2900(16) 0.9116(12) 0.5093(7) 0.114(8) Uiso 0.219(9) 1 d PDU A 2
F15' F 0.1688(16) 0.9047(15) 0.4256(11) 0.137(9) Uiso 0.219(9) 1 d PDU A 2
F16' F 0.3200(15) 0.9058(14) 0.4069(11) 0.156(10) Uiso 0.219(9) 1 d PDU A 2
Sb2 Sb 0.70724(4) 0.78791(4) 0.43079(3) 0.07758(18) Uani 1 1 d D . .
F21 F 0.6307(6) 0.7820(8) 0.4779(4) 0.137(4) Uani 0.587(9) 1 d PDU B 1
F22 F 0.7814(9) 0.8815(6) 0.4741(4) 0.168(5) Uani 0.587(9) 1 d PDU B 1
F23 F 0.6496(8) 0.8398(7) 0.3875(5) 0.155(5) Uani 0.587(9) 1 d PDU B 1
F24 F 0.6298(9) 0.6977(6) 0.3833(4) 0.169(5) Uani 0.587(9) 1 d PDU B 1
F25 F 0.7629(9) 0.7380(8) 0.4710(5) 0.167(5) Uani 0.587(9) 1 d PDU B 1
F26 F 0.7791(7) 0.7958(8) 0.3796(4) 0.157(5) Uani 0.587(9) 1 d PDU B 1
F21' F 0.6393(9) 0.7367(8) 0.4796(6) 0.133(6) Uiso 0.413(9) 1 d PDU B 2
F22' F 0.7109(11) 0.8782(7) 0.4727(5) 0.128(6) Uiso 0.413(9) 1 d PDU B 2
F23' F 0.6060(8) 0.7786(11) 0.3832(6) 0.160(7) Uiso 0.413(9) 1 d PDU B 2
F24' F 0.7023(11) 0.6949(7) 0.3950(6) 0.139(6) Uiso 0.413(9) 1 d PDU B 2
F25' F 0.8059(8) 0.7934(10) 0.4838(5) 0.132(6) Uiso 0.413(9) 1 d PDU B 2
F26' F 0.7759(9) 0.8396(8) 0.3875(6) 0.115(5) Uiso 0.413(9) 1 d PDU B 2
Sb3 Sb 0.81328(4) 0.49599(4) 0.49887(3) 0.08297(19) Uani 1 1 d D . .
F31 F 0.9309(4) 0.5531(5) 0.5136(4) 0.146(4) Uani 0.719(9) 1 d PDU C 1
F32 F 0.7881(7) 0.5847(4) 0.5017(4) 0.122(3) Uani 0.719(9) 1 d PDU C 1
F33 F 0.8138(7) 0.5031(5) 0.5746(3) 0.127(3) Uani 0.719(9) 1 d PDU C 1
F34 F 0.8328(6) 0.4045(4) 0.4958(3) 0.100(3) Uani 0.719(9) 1 d PDU C 1
F35 F 0.8085(7) 0.4867(5) 0.4220(3) 0.130(3) Uani 0.719(9) 1 d PDU C 1
F36 F 0.6917(4) 0.4376(5) 0.4828(4) 0.139(4) Uani 0.719(9) 1 d PDU C 1
F31' F 0.9162(9) 0.5114(12) 0.4720(8) 0.123(7) Uiso 0.281(9) 1 d PDU C 2
F32' F 0.8318(13) 0.5985(7) 0.5002(8) 0.113(8) Uiso 0.281(9) 1 d PDU C 2
F33' F 0.8801(11) 0.5234(9) 0.5728(5) 0.085(5) Uiso 0.281(9) 1 d PDU C 2
F34' F 0.7992(14) 0.3957(7) 0.4976(9) 0.121(8) Uiso 0.281(9) 1 d PDU C 2
F35' F 0.7499(11) 0.4721(10) 0.4251(5) 0.092(6) Uiso 0.281(9) 1 d PDU C 2
F36' F 0.7142(10) 0.4819(12) 0.5263(8) 0.124(7) Uiso 0.281(9) 1 d PDU C 2
Sb4 Sb 0.69468(7) 0.59037(5) 0.10153(4) 0.1249(3) Uani 1 1 d D . .
F41 F 0.6261(7) 0.6503(6) 0.1077(4) 0.163(4) Uani 0.756(9) 1 d PDU D 1
F42 F 0.7075(9) 0.5971(7) 0.1806(3) 0.198(5) Uani 0.756(9) 1 d PDU D 1
F43 F 0.7921(7) 0.6741(6) 0.1119(6) 0.222(6) Uani 0.756(9) 1 d PDU D 1
F44 F 0.6759(8) 0.5808(6) 0.0247(3) 0.164(4) Uani 0.756(9) 1 d PDU D 1
F45 F 0.5928(7) 0.5026(6) 0.0946(5) 0.226(6) Uani 0.756(9) 1 d PDU D 1
F46 F 0.7545(8) 0.5254(7) 0.1008(5) 0.201(5) Uani 0.756(9) 1 d PDU D 1
F41' F 0.699(2) 0.6893(9) 0.1110(11) 0.201(10) Uiso 0.244(9) 1 d PDU D 2
F42' F 0.7706(17) 0.6103(16) 0.1691(8) 0.202(10) Uiso 0.244(9) 1 d PDU D 2
F43' F 0.7908(15) 0.6187(19) 0.0666(13) 0.219(11) Uiso 0.244(9) 1 d PDU D 2
F44' F 0.6204(17) 0.5686(15) 0.0302(8) 0.173(10) Uiso 0.244(9) 1 d PDU D 2
F45' F 0.5999(15) 0.5593(19) 0.1341(13) 0.234(11) Uiso 0.244(9) 1 d PDU D 2
F46' F 0.692(2) 0.4906(9) 0.0862(10) 0.142(9) Uiso 0.244(9) 1 d PDU D 2
Sb5 Sb 0.2234(4) 0.6463(2) 0.15094(12) 0.1052(9) Uani 0.572(8) 1 d PD E 1
F51 F 0.1499(10) 0.5955(8) 0.0834(5) 0.227(7) Uani 0.572(8) 1 d PDU E 1
F52 F 0.1542(9) 0.7078(7) 0.1578(7) 0.190(5) Uani 0.572(8) 1 d PDU E 1
F53 F 0.2909(9) 0.7184(8) 0.1165(6) 0.223(7) Uani 0.572(8) 1 d PDU E 1
F54 F 0.2933(10) 0.5907(8) 0.1442(7) 0.253(7) Uani 0.572(8) 1 d PDU E 1
F55 F 0.1544(11) 0.5788(7) 0.1883(6) 0.211(6) Uani 0.572(8) 1 d PDU E 1
F56 F 0.2931(10) 0.7021(7) 0.2204(5) 0.205(6) Uani 0.572(8) 1 d PDU E 1
Sb5' Sb 0.1806(4) 0.6304(2) 0.15742(14) 0.0940(10) Uani 0.428(8) 1 d PD E 2
F51' F 0.1537(13) 0.5503(10) 0.0960(7) 0.223(9) Uiso 0.428(8) 1 d PDU E 2
F52' F 0.1198(12) 0.6760(11) 0.1153(8) 0.222(9) Uiso 0.428(8) 1 d PDU E 2
F53' F 0.2813(10) 0.6817(11) 0.1331(8) 0.205(8) Uiso 0.428(8) 1 d PDU E 2
F54' F 0.2418(12) 0.5804(10) 0.1978(8) 0.209(8) Uiso 0.428(8) 1 d PDU E 2
F55' F 0.0804(10) 0.5766(9) 0.1797(7) 0.189(8) Uiso 0.428(8) 1 d PDU E 2
F56' F 0.2115(14) 0.7068(9) 0.2186(7) 0.219(8) Uiso 0.428(8) 1 d PDU E 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C15A Rh1A C16A 84.3(4) . . ?
C15A Rh1A N1A 177.0(3) . . ?
C16A Rh1A N1A 98.7(3) . . ?
C15A Rh1A N12A 98.8(3) . . ?
C16A Rh1A N12A 176.1(3) . . ?
N1A Rh1A N12A 78.3(2) . . ?
C2A N1A C6A 119.3(7) . . ?
C2A N1A Rh1A 125.8(6) . . ?
C6A N1A Rh1A 114.9(5) . . ?
O13A C2A N1A 116.3(7) . . ?
O13A C2A C3A 122.7(7) . . ?
N1A C2A C3A 121.0(8) . . ?
C4A C3A C2A 118.8(7) . . ?
C5A C4A C3A 120.3(8) . . ?
C4A C5A C6A 120.6(8) . . ?
N1A C6A C5A 120.0(7) . . ?
N1A C6A C7A 115.1(6) . . ?
C5A C6A C7A 124.9(7) . . ?
N12A C7A C8A 121.3(7) . . ?
N12A C7A C6A 116.6(7) . . ?
C8A C7A C6A 122.1(7) . . ?
C9A C8A C7A 117.9(8) . . ?
C10A C9A C8A 120.9(8) . . ?
C9A C10A C11A 119.3(8) . . ?
O14A C11A N12A 115.4(7) . . ?
O14A C11A C10A 122.9(8) . . ?
N12A C11A C10A 121.7(8) . . ?
C7A N12A C11A 118.8(6) . . ?
C7A N12A Rh1A 115.0(5) . . ?
C11A N12A Rh1A 126.1(5) . . ?
O15A C15A Rh1A 174.7(8) . . ?
O16A C16A Rh1A 174.2(8) . . ?
C15B Rh1B C16B 84.6(4) . . ?
C15B Rh1B N12B 99.3(3) . . ?
C16B Rh1B N12B 176.1(3) . . ?
C15B Rh1B N1B 177.2(3) . . ?
C16B Rh1B N1B 98.1(3) . . ?
N12B Rh1B N1B 78.0(3) . . ?
C2B N1B C6B 116.3(7) . . ?
C2B N1B Rh1B 127.7(6) . . ?
C6B N1B Rh1B 115.9(6) . . ?
O13B C2B N1B 114.0(8) . . ?
O13B C2B C3B 121.8(8) . . ?
N1B C2B C3B 124.2(9) . . ?
C2B C3B C4B 116.5(9) . . ?
C5B C4B C3B 121.4(9) . . ?
C4B C5B C6B 120.6(9) . . ?
C5B C6B N1B 120.8(8) . . ?
C5B C6B C7B 126.2(8) . . ?
N1B C6B C7B 113.0(8) . . ?
N12B C7B C8B 122.4(9) . . ?
N12B C7B C6B 116.9(7) . . ?
C8B C7B C6B 120.7(9) . . ?
C7B C8B C9B 118.1(10) . . ?
C10B C9B C8B 120.3(9) . . ?
C9B C10B C11B 119.1(10) . . ?
O14B C11B N12B 116.8(8) . . ?
O14B C11B C10B 122.2(10) . . ?
N12B C11B C10B 120.9(10) . . ?
C7B N12B C11B 119.1(8) . . ?
C7B N12B Rh1B 116.2(6) . . ?
C11B N12B Rh1B 124.6(6) . . ?
O15B C15B Rh1B 173.0(9) . . ?
O16B C16B Rh1B 173.5(8) . . ?
C15C Rh1C C16C 84.3(4) . . ?
C15C Rh1C N12C 97.6(3) . . ?
C16C Rh1C N12C 177.8(4) . . ?
C15C Rh1C N1C 175.9(3) . . ?
C16C Rh1C N1C 99.7(4) . . ?
N12C Rh1C N1C 78.4(3) . . ?
C6C N1C C2C 117.7(7) . . ?
C6C N1C Rh1C 115.4(5) . . ?
C2C N1C Rh1C 126.9(5) . . ?
O13C C2C N1C 114.4(8) . . ?
O13C C2C C3C 123.2(8) . . ?
N1C C2C C3C 122.3(8) . . ?
C4C C3C C2C 117.6(8) . . ?
C3C C4C C5C 121.5(8) . . ?
C6C C5C C4C 117.9(8) . . ?
C5C C6C N1C 122.8(7) . . ?
C5C C6C C7C 122.2(7) . . ?
N1C C6C C7C 115.0(7) . . ?
N12C C7C C8C 120.9(7) . . ?
N12C C7C C6C 116.2(7) . . ?
C8C C7C C6C 122.9(7) . . ?
C9C C8C C7C 117.6(8) . . ?
C10C C9C C8C 123.3(8) . . ?
C9C C10C C11C 115.8(9) . . ?
N12C C11C O14C 117.3(8) . . ?
N12C C11C C10C 124.4(8) . . ?
O14C C11C C10C 118.3(9) . . ?
C11C N12C C7C 118.0(7) . . ?
C11C N12C Rh1C 127.0(6) . . ?
C7C N12C Rh1C 115.0(5) . . ?
O15C C15C Rh1C 171.7(9) . . ?
O16C C16C Rh1C 175.6(10) . . ?
C16D Rh1D C15D 83.5(4) . . ?
C16D Rh1D N12D 177.6(3) . . ?
C15D Rh1D N12D 98.7(4) . . ?
C16D Rh1D N1D 99.8(3) . . ?
C15D Rh1D N1D 176.5(3) . . ?
N12D Rh1D N1D 77.9(3) . . ?
C2D N1D C6D 118.9(7) . . ?
C2D N1D Rh1D 125.1(6) . . ?
C6D N1D Rh1D 116.0(5) . . ?
O13D C2D N1D 116.9(8) . . ?
O13D C2D C3D 122.5(8) . . ?
N1D C2D C3D 120.6(8) . . ?
C4D C3D C2D 120.2(8) . . ?
C3D C4D C5D 120.2(9) . . ?
C6D C5D C4D 118.7(8) . . ?
N1D C6D C5D 121.4(7) . . ?
N1D C6D C7D 115.7(7) . . ?
C5D C6D C7D 122.9(8) . . ?
N12D C7D C8D 121.4(7) . . ?
N12D C7D C6D 114.3(8) . . ?
C8D C7D C6D 124.2(8) . . ?
C9D C8D C7D 118.5(8) . . ?
C10D C9D C8D 121.4(9) . . ?
C9D C10D C11D 120.3(9) . . ?
O14D C11D C10D 125.0(9) . . ?
O14D C11D N12D 114.4(9) . . ?
C10D C11D N12D 120.6(9) . . ?
C7D N12D C11D 117.7(8) . . ?
C7D N12D Rh1D 116.0(5) . . ?
C11D N12D Rh1D 126.2(6) . . ?
O15D C15D Rh1D 172.9(9) . . ?
O16D C16D Rh1D 175.7(9) . . ?
C16E Rh1E C15E 83.3(4) . . ?
C16E Rh1E N12E 177.2(3) . . ?
C15E Rh1E N12E 99.5(3) . . ?
C16E Rh1E N1E 98.8(3) . . ?
C15E Rh1E N1E 176.5(3) . . ?
N12E Rh1E N1E 78.3(3) . . ?
C2E N1E C6E 120.2(7) . . ?
C2E N1E Rh1E 124.4(6) . . ?
C6E N1E Rh1E 115.4(5) . . ?
O13E C2E N1E 118.3(8) . . ?
O13E C2E C3E 120.7(8) . . ?
N1E C2E C3E 120.9(8) . . ?
C4E C3E C2E 117.7(8) . . ?
C5E C4E C3E 119.1(8) . . ?
C6E C5E C4E 122.5(8) . . ?
C5E C6E N1E 119.5(7) . . ?
C5E C6E C7E 125.4(7) . . ?
N1E C6E C7E 115.1(6) . . ?
C8E C7E N12E 121.1(8) . . ?
C8E C7E C6E 123.1(8) . . ?
N12E C7E C6E 115.8(6) . . ?
C9E C8E C7E 120.0(9) . . ?
C8E C9E C10E 120.7(8) . . ?
C11E C10E C9E 118.2(8) . . ?
O14E C11E N12E 115.4(7) . . ?
O14E C11E C10E 122.2(8) . . ?
N12E C11E C10E 122.3(8) . . ?
C11E N12E C7E 117.6(7) . . ?
C11E N12E Rh1E 127.0(6) . . ?
C7E N12E Rh1E 115.3(5) . . ?
O15E C15E Rh1E 176.7(9) . . ?
O16E C16E Rh1E 172.5(9) . . ?
F13' Sb1 F12' 91.5(7) . . ?
F13' Sb1 F14 124.4(8) . . ?
F12' Sb1 F14 143.8(9) . . ?
F13' Sb1 F12 54.2(8) . . ?
F12' Sb1 F12 37.7(8) . . ?
F14 Sb1 F12 178.5(4) . . ?
F13' Sb1 F16' 91.2(7) . . ?
F12' Sb1 F16' 91.4(8) . . ?
F14 Sb1 F16' 92.4(10) . . ?
F12 Sb1 F16' 87.4(10) . . ?
F13' Sb1 F13 34.8(8) . . ?
F12' Sb1 F13 125.6(9) . . ?
F14 Sb1 F13 90.6(4) . . ?
F12 Sb1 F13 87.9(4) . . ?
F16' Sb1 F13 84.0(10) . . ?
F13' Sb1 F11 83.2(10) . . ?
F12' Sb1 F11 91.4(11) . . ?
F14 Sb1 F11 88.5(3) . . ?
F12 Sb1 F11 91.5(4) . . ?
F16' Sb1 F11 173.8(10) . . ?
F13 Sb1 F11 89.9(3) . . ?
F13' Sb1 F11' 91.4(7) . . ?
F12' Sb1 F11' 90.4(8) . . ?
F14 Sb1 F11' 84.5(10) . . ?
F12 Sb1 F11' 95.7(10) . . ?
F16' Sb1 F11' 176.8(9) . . ?
F13 Sb1 F11' 97.1(10) . . ?
F11 Sb1 F11' 8.2(11) . . ?
F13' Sb1 F16 98.1(10) . . ?
F12' Sb1 F16 90.5(10) . . ?
F14 Sb1 F16 89.1(3) . . ?
F12 Sb1 F16 90.9(4) . . ?
F16' Sb1 F16 6.9(11) . . ?
F13 Sb1 F16 90.1(3) . . ?
F11 Sb1 F16 177.7(4) . . ?
F11' Sb1 F16 170.4(10) . . ?
F13' Sb1 F14' 90.4(7) . . ?
F12' Sb1 F14' 177.9(9) . . ?
F14 Sb1 F14' 34.2(7) . . ?
F12 Sb1 F14' 144.3(8) . . ?
F16' Sb1 F14' 89.6(7) . . ?
F13 Sb1 F14' 56.4(7) . . ?
F11 Sb1 F14' 87.8(10) . . ?
F11' Sb1 F14' 88.5(7) . . ?
F16 Sb1 F14' 90.3(10) . . ?
F13' Sb1 F15 143.2(8) . . ?
F12' Sb1 F15 52.5(9) . . ?
F14 Sb1 F15 91.3(4) . . ?
F12 Sb1 F15 90.2(4) . . ?
F16' Sb1 F15 96.7(10) . . ?
F13 Sb1 F15 177.9(4) . . ?
F11 Sb1 F15 89.3(3) . . ?
F11' Sb1 F15 82.3(10) . . ?
F16 Sb1 F15 90.7(3) . . ?
F14' Sb1 F15 125.5(8) . . ?
F13' Sb1 F15' 178.0(9) . . ?
F12' Sb1 F15' 90.5(7) . . ?
F14 Sb1 F15' 53.6(8) . . ?
F12 Sb1 F15' 127.9(8) . . ?
F16' Sb1 F15' 88.6(7) . . ?
F13 Sb1 F15' 143.2(8) . . ?
F11 Sb1 F15' 96.8(10) . . ?
F11' Sb1 F15' 88.7(7) . . ?
F16 Sb1 F15' 81.8(10) . . ?
F14' Sb1 F15' 87.6(7) . . ?
F15 Sb1 F15' 38.8(8) . . ?
F25 Sb2 F26' 110.5(6) . . ?
F25 Sb2 F21 92.0(5) . . ?
F26' Sb2 F21 150.8(6) . . ?
F25 Sb2 F24' 63.0(6) . . ?
F26' Sb2 F24' 93.2(5) . . ?
F21 Sb2 F24' 114.0(6) . . ?
F25 Sb2 F23' 145.0(6) . . ?
F26' Sb2 F23' 92.9(6) . . ?
F21 Sb2 F23' 77.1(6) . . ?
F24' Sb2 F23' 91.0(6) . . ?
F25 Sb2 F26 92.1(5) . . ?
F26' Sb2 F26 26.8(5) . . ?
F21 Sb2 F26 175.8(5) . . ?
F24' Sb2 F26 67.1(6) . . ?
F23' Sb2 F26 99.0(6) . . ?
F25 Sb2 F22 91.5(5) . . ?
F26' Sb2 F22 71.6(6) . . ?
F21 Sb2 F22 90.0(5) . . ?
F24' Sb2 F22 144.3(6) . . ?
F23' Sb2 F22 121.2(6) . . ?
F26 Sb2 F22 90.9(5) . . ?
F25 Sb2 F22' 113.0(6) . . ?
F26' Sb2 F22' 91.3(5) . . ?
F21 Sb2 F22' 62.1(5) . . ?
F24' Sb2 F22' 174.9(6) . . ?
F23' Sb2 F22' 91.2(6) . . ?
F26 Sb2 F22' 117.0(6) . . ?
F22 Sb2 F22' 36.0(5) . . ?
F25 Sb2 F24 92.8(5) . . ?
F26' Sb2 F24 105.9(6) . . ?
F21 Sb2 F24 90.9(5) . . ?
F24' Sb2 F24 38.4(5) . . ?
F23' Sb2 F24 54.9(6) . . ?
F26 Sb2 F24 87.9(5) . . ?
F22 Sb2 F24 175.6(5) . . ?
F22' Sb2 F24 141.9(6) . . ?
F25 Sb2 F25' 32.1(5) . . ?
F26' Sb2 F25' 91.8(5) . . ?
F21 Sb2 F25' 98.7(6) . . ?
F24' Sb2 F25' 88.9(5) . . ?
F23' Sb2 F25' 175.3(6) . . ?
F26 Sb2 F25' 85.3(6) . . ?
F22 Sb2 F25' 60.4(6) . . ?
F22' Sb2 F25' 88.5(5) . . ?
F24 Sb2 F25' 123.7(6) . . ?
F25 Sb2 F23 179.0(5) . . ?
F26' Sb2 F23 68.8(6) . . ?
F21 Sb2 F23 89.0(4) . . ?
F24' Sb2 F23 116.2(6) . . ?
F23' Sb2 F23 35.0(5) . . ?
F26 Sb2 F23 86.9(5) . . ?
F22 Sb2 F23 88.9(5) . . ?
F22' Sb2 F23 67.8(5) . . ?
F24 Sb2 F23 86.8(5) . . ?
F25' Sb2 F23 148.1(6) . . ?
F25 Sb2 F21' 68.3(6) . . ?
F26' Sb2 F21' 177.1(6) . . ?
F21 Sb2 F21' 28.5(5) . . ?
F24' Sb2 F21' 88.5(5) . . ?
F23' Sb2 F21' 89.4(5) . . ?
F26 Sb2 F21' 154.2(6) . . ?
F22 Sb2 F21' 105.7(6) . . ?
F22' Sb2 F21' 87.0(5) . . ?
F24 Sb2 F21' 76.9(6) . . ?
F25' Sb2 F21' 85.9(5) . . ?
F23 Sb2 F21' 112.5(6) . . ?
F36' Sb3 F34' 90.2(6) . . ?
F36' Sb3 F31 143.1(7) . . ?
F34' Sb3 F31 108.7(7) . . ?
F36' Sb3 F33 57.7(6) . . ?
F34' Sb3 F33 86.0(7) . . ?
F31 Sb3 F33 91.4(4) . . ?
F36' Sb3 F35 120.3(6) . . ?
F34' Sb3 F35 93.3(8) . . ?
F31 Sb3 F35 90.7(4) . . ?
F33 Sb3 F35 177.9(4) . . ?
F36' Sb3 F32' 91.7(6) . . ?
F34' Sb3 F32' 177.9(8) . . ?
F31 Sb3 F32' 69.3(7) . . ?
F33 Sb3 F32' 94.4(7) . . ?
F35 Sb3 F32' 86.4(7) . . ?
F36' Sb3 F32 71.3(7) . . ?
F34' Sb3 F32 160.6(7) . . ?
F31 Sb3 F32 90.1(4) . . ?
F33 Sb3 F32 88.9(4) . . ?
F35 Sb3 F32 91.1(4) . . ?
F32' Sb3 F32 21.5(6) . . ?
F36' Sb3 F35' 91.3(6) . . ?
F34' Sb3 F35' 91.2(6) . . ?
F31 Sb3 F35' 118.7(6) . . ?
F33 Sb3 F35' 148.8(6) . . ?
F35 Sb3 F35' 29.2(5) . . ?
F32' Sb3 F35' 89.5(6) . . ?
F32 Sb3 F35' 83.5(6) . . ?
F36' Sb3 F34 106.2(7) . . ?
F34' Sb3 F34 16.7(7) . . ?
F31 Sb3 F34 92.6(4) . . ?
F33 Sb3 F34 90.8(3) . . ?
F35 Sb3 F34 89.2(3) . . ?
F32' Sb3 F34 161.2(7) . . ?
F32 Sb3 F34 177.3(4) . . ?
F35' Sb3 F34 95.4(6) . . ?
F36' Sb3 F31' 179.0(8) . . ?
F34' Sb3 F31' 90.0(6) . . ?
F31 Sb3 F31' 35.9(6) . . ?
F33 Sb3 F31' 121.3(6) . . ?
F35 Sb3 F31' 60.7(6) . . ?
F32' Sb3 F31' 88.0(6) . . ?
F32 Sb3 F31' 108.5(6) . . ?
F35' Sb3 F31' 89.7(6) . . ?
F34 Sb3 F31' 73.9(7) . . ?
F36' Sb3 F33' 90.0(6) . . ?
F34' Sb3 F33' 90.4(6) . . ?
F31 Sb3 F33' 59.5(6) . . ?
F33 Sb3 F33' 32.7(5) . . ?
F35 Sb3 F33' 149.3(6) . . ?
F32' Sb3 F33' 88.8(6) . . ?
F32 Sb3 F33' 95.3(6) . . ?
F35' Sb3 F33' 177.9(7) . . ?
F34 Sb3 F33' 85.8(6) . . ?
F31' Sb3 F33' 88.9(6) . . ?
F36' Sb3 F36 37.2(6) . . ?
F34' Sb3 F36 71.8(7) . . ?
F31 Sb3 F36 179.3(4) . . ?
F33 Sb3 F36 89.2(4) . . ?
F35 Sb3 F36 88.7(4) . . ?
F32' Sb3 F36 110.3(6) . . ?
F32 Sb3 F36 89.5(4) . . ?
F35' Sb3 F36 60.6(6) . . ?
F34 Sb3 F36 87.8(4) . . ?
F31' Sb3 F36 143.8(6) . . ?
F33' Sb3 F36 121.2(6) . . ?
F43 Sb4 F46 93.6(5) . . ?
F43 Sb4 F45' 136.9(10) . . ?
F46 Sb4 F45' 112.9(10) . . ?
F43 Sb4 F42' 65.5(10) . . ?
F46 Sb4 F42' 69.4(10) . . ?
F45' Sb4 F42' 91.8(8) . . ?
F43 Sb4 F41' 54.2(10) . . ?
F46 Sb4 F41' 147.7(10) . . ?
F45' Sb4 F41' 92.9(8) . . ?
F42' Sb4 F41' 91.7(7) . . ?
F43 Sb4 F44 92.2(4) . . ?
F46 Sb4 F44 92.5(4) . . ?
F45' Sb4 F44 118.5(10) . . ?
F42' Sb4 F44 149.3(10) . . ?
F41' Sb4 F44 91.6(10) . . ?
F43 Sb4 F46' 124.0(9) . . ?
F46 Sb4 F46' 31.4(8) . . ?
F45' Sb4 F46' 90.7(7) . . ?
F42' Sb4 F46' 91.1(7) . . ?
F41' Sb4 F46' 175.4(9) . . ?
F44 Sb4 F46' 84.1(9) . . ?
F43 Sb4 F41 91.3(4) . . ?
F46 Sb4 F41 173.3(5) . . ?
F45' Sb4 F41 60.5(9) . . ?
F42' Sb4 F41 108.6(10) . . ?
F41' Sb4 F41 37.1(9) . . ?
F44 Sb4 F41 91.9(4) . . ?
F46' Sb4 F41 144.5(9) . . ?
F43 Sb4 F43' 45.2(9) . . ?
F46 Sb4 F43' 65.7(9) . . ?
F45' Sb4 F43' 177.9(9) . . ?
F42' Sb4 F43' 89.1(7) . . ?
F41' Sb4 F43' 88.9(7) . . ?
F44 Sb4 F43' 60.5(9) . . ?
F46' Sb4 F43' 87.5(7) . . ?
F41 Sb4 F43' 121.0(9) . . ?
F43 Sb4 F44' 113.5(9) . . ?
F46 Sb4 F44' 108.4(9) . . ?
F45' Sb4 F44' 90.6(7) . . ?
F42' Sb4 F44' 177.3(9) . . ?
F41' Sb4 F44' 89.6(7) . . ?
F44 Sb4 F44' 28.2(9) . . ?
F46' Sb4 F44' 87.4(7) . . ?
F41 Sb4 F44' 73.8(9) . . ?
F43' Sb4 F44' 88.5(7) . . ?
F43 Sb4 F45 177.1(5) . . ?
F46 Sb4 F45 86.4(5) . . ?
F45' Sb4 F45 41.0(10) . . ?
F42' Sb4 F45 111.8(10) . . ?
F41' Sb4 F45 125.6(10) . . ?
F44 Sb4 F45 90.7(4) . . ?
F46' Sb4 F45 56.4(9) . . ?
F41 Sb4 F45 88.6(4) . . ?
F43' Sb4 F45 137.0(10) . . ?
F44' Sb4 F45 69.3(9) . . ?
F43 Sb4 F42 90.6(5) . . ?
F46 Sb4 F42 88.5(4) . . ?
F45' Sb4 F42 58.4(10) . . ?
F42' Sb4 F42 33.6(9) . . ?
F41' Sb4 F42 89.1(10) . . ?
F44 Sb4 F42 176.9(5) . . ?
F46' Sb4 F42 95.2(9) . . ?
F41 Sb4 F42 86.8(4) . . ?
F43' Sb4 F42 122.6(9) . . ?
F44' Sb4 F42 148.8(9) . . ?
F45 Sb4 F42 86.4(4) . . ?
F54 Sb5 F51 93.1(6) . . ?
F54 Sb5 F53 90.9(6) . . ?
F51 Sb5 F53 90.8(6) . . ?
F54 Sb5 F55 92.1(6) . . ?
F51 Sb5 F55 91.1(6) . . ?
F53 Sb5 F55 176.4(6) . . ?
F54 Sb5 F56 91.1(6) . . ?
F51 Sb5 F56 175.9(7) . . ?
F53 Sb5 F56 89.2(5) . . ?
F55 Sb5 F56 88.7(5) . . ?
F54 Sb5 F52 177.7(6) . . ?
F51 Sb5 F52 87.9(6) . . ?
F53 Sb5 F52 87.0(5) . . ?
F55 Sb5 F52 89.9(6) . . ?
F56 Sb5 F52 88.0(5) . . ?
F56' Sb5' F52' 92.4(7) . . ?
F56' Sb5' F55' 91.6(6) . . ?
F52' Sb5' F55' 90.1(6) . . ?
F56' Sb5' F53' 90.3(7) . . ?
F52' Sb5' F53' 90.2(7) . . ?
F55' Sb5' F53' 178.0(8) . . ?
F56' Sb5' F54' 90.1(6) . . ?
F52' Sb5' F54' 177.5(8) . . ?
F55' Sb5' F54' 90.0(6) . . ?
F53' Sb5' F54' 89.6(7) . . ?
F56' Sb5' F51' 177.0(8) . . ?
F52' Sb5' F51' 90.5(7) . . ?
F55' Sb5' F51' 89.5(6) . . ?
F53' Sb5' F51' 88.6(6) . . ?
F54' Sb5' F51' 87.1(6) . . ?
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
Rh1A C15A 1.880(8) . ?
Rh1A C16A 1.900(10) . ?
Rh1A N1A 2.088(6) . ?
Rh1A N12A 2.102(6) . ?
N1A C2A 1.362(9) . ?
N1A C6A 1.385(9) . ?
C2A O13A 1.320(10) . ?
C2A C3A 1.416(11) . ?
C3A C4A 1.377(11) . ?
C4A C5A 1.365(11) . ?
C5A C6A 1.392(10) . ?
C6A C7A 1.455(10) . ?
C7A N12A 1.347(9) . ?
C7A C8A 1.387(10) . ?
C8A C9A 1.382(11) . ?
C9A C10A 1.347(12) . ?
C10A C11A 1.362(11) . ?
C11A O14A 1.341(9) . ?
C11A N12A 1.360(9) . ?
C15A O15A 1.102(9) . ?
C16A O16A 1.122(10) . ?
Rh1B C15B 1.842(10) . ?
Rh1B C16B 1.861(9) . ?
Rh1B N12B 2.082(7) . ?
Rh1B N1B 2.092(7) . ?
N1B C2B 1.350(10) . ?
N1B C6B 1.403(10) . ?
C2B O13B 1.343(9) . ?
C2B C3B 1.362(11) . ?
C3B C4B 1.403(12) . ?
C4B C5B 1.315(12) . ?
C5B C6B 1.360(12) . ?
C6B C7B 1.468(12) . ?
C7B N12B 1.348(10) . ?
C7B C8B 1.390(11) . ?
C8B C9B 1.405(13) . ?
C9B C10B 1.365(13) . ?
C10B C11B 1.408(12) . ?
C11B O14B 1.322(12) . ?
C11B N12B 1.370(11) . ?
C15B O15B 1.141(10) . ?
C16B O16B 1.141(9) . ?
Rh1C C15C 1.845(8) . ?
Rh1C C16C 1.853(10) . ?
Rh1C N12C 2.067(6) . ?
Rh1C N1C 2.101(6) . ?
N1C C6C 1.356(9) . ?
N1C C2C 1.369(10) . ?
C2C O13C 1.341(9) . ?
C2C C3C 1.382(11) . ?
C3C C4C 1.331(11) . ?
C4C C5C 1.421(11) . ?
C5C C6C 1.328(10) . ?
C6C C7C 1.454(10) . ?
C7C N12C 1.377(9) . ?
C7C C8C 1.418(10) . ?
C8C C9C 1.372(11) . ?
C9C C10C 1.353(11) . ?
C10C C11C 1.420(11) . ?
C11C N12C 1.327(10) . ?
C11C O14C 1.337(10) . ?
C15C O15C 1.127(9) . ?
C16C O16C 1.152(10) . ?
Rh1D C16D 1.829(10) . ?
Rh1D C15D 1.847(10) . ?
Rh1D N12D 2.064(6) . ?
Rh1D N1D 2.070(6) . ?
N1D C2D 1.342(10) . ?
N1D C6D 1.365(9) . ?
C2D O13D 1.318(9) . ?
C2D C3D 1.409(11) . ?
C3D C4D 1.329(11) . ?
C4D C5D 1.387(11) . ?
C5D C6D 1.384(10) . ?
C6D C7D 1.435(11) . ?
C7D N12D 1.389(10) . ?
C7D C8D 1.409(11) . ?
C8D C9D 1.383(11) . ?
C9D C10D 1.351(12) . ?
C10D C11D 1.397(13) . ?
C11D O14D 1.313(11) . ?
C11D N12D 1.404(11) . ?
C15D O15D 1.143(10) . ?
C16D O16D 1.137(10) . ?
Rh1E C16E 1.843(9) . ?
Rh1E C15E 1.862(8) . ?
Rh1E N12E 2.089(6) . ?
Rh1E N1E 2.091(6) . ?
N1E C2E 1.337(10) . ?
N1E C6E 1.399(9) . ?
C2E O13E 1.316(10) . ?
C2E C3E 1.445(12) . ?
C3E C4E 1.400(12) . ?
C4E C5E 1.374(11) . ?
C5E C6E 1.356(10) . ?
C6E C7E 1.440(10) . ?
C7E C8E 1.370(10) . ?
C7E N12E 1.394(9) . ?
C8E C9E 1.339(12) . ?
C9E C10E 1.389(12) . ?
C10E C11E 1.380(11) . ?
C11E O14E 1.333(10) . ?
C11E N12E 1.346(10) . ?
C15E O15E 1.132(9) . ?
C16E O16E 1.160(9) . ?
Sb1 F13' 1.812(13) . ?
Sb1 F12' 1.821(13) . ?
Sb1 F14 1.824(6) . ?
Sb1 F12 1.829(7) . ?
Sb1 F16' 1.846(13) . ?
Sb1 F13 1.852(6) . ?
Sb1 F11 1.853(6) . ?
Sb1 F11' 1.853(13) . ?
Sb1 F16 1.864(6) . ?
Sb1 F14' 1.864(13) . ?
Sb1 F15 1.871(6) . ?
Sb1 F15' 1.877(13) . ?
Sb2 F25 1.801(8) . ?
Sb2 F26' 1.803(10) . ?
Sb2 F21 1.819(7) . ?
Sb2 F24' 1.822(10) . ?
Sb2 F23' 1.827(10) . ?
Sb2 F26 1.835(8) . ?
Sb2 F22 1.843(8) . ?
Sb2 F22' 1.843(10) . ?
Sb2 F24 1.855(8) . ?
Sb2 F25' 1.884(10) . ?
Sb2 F23 1.891(8) . ?
Sb2 F21' 1.897(10) . ?
Sb3 F36' 1.813(11) . ?
Sb3 F34' 1.823(12) . ?
Sb3 F31 1.830(7) . ?
Sb3 F33 1.832(7) . ?
Sb3 F35 1.847(7) . ?
Sb3 F32' 1.849(11) . ?
Sb3 F32 1.850(6) . ?
Sb3 F35' 1.852(11) . ?
Sb3 F34 1.853(6) . ?
Sb3 F31' 1.861(11) . ?
Sb3 F33' 1.871(11) . ?
Sb3 F36 1.888(7) . ?
Sb4 F43 1.792(8) . ?
Sb4 F46 1.814(8) . ?
Sb4 F45' 1.818(13) . ?
Sb4 F42' 1.822(13) . ?
Sb4 F41' 1.823(13) . ?
Sb4 F44 1.826(8) . ?
Sb4 F46' 1.854(13) . ?
Sb4 F41 1.857(6) . ?
Sb4 F43' 1.870(13) . ?
Sb4 F44' 1.878(13) . ?
Sb4 F45 1.889(8) . ?
Sb4 F42 1.890(8) . ?
Sb5 F54 1.812(10) . ?
Sb5 F51 1.815(10) . ?
Sb5 F53 1.837(10) . ?
Sb5 F55 1.845(10) . ?
Sb5 F56 1.850(10) . ?
Sb5 F52 1.890(9) . ?
Sb5' F56' 1.809(11) . ?
Sb5' F52' 1.819(12) . ?
Sb5' F55' 1.831(11) . ?
Sb5' F53' 1.853(12) . ?
Sb5' F54' 1.861(12) . ?
Sb5' F51' 1.862(12) . ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.029 -0.028 0.000 3087 1005 ' '
