#------------------------------------------------------------------------------
#$Date: 2020-08-13 04:05:04 +0300 (Thu, 13 Aug 2020) $
#$Revision: 255277 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/88/1558832.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_1558832
loop_
_publ_author_name
'Scheer, Manfred'
'Presypkina, Eugenia V.'
'Virovets, Alexander Viktorovich'
'Bielmeier, Martin'
_publ_section_title
;
 Use of a cyclo-P4 building block -- A Way to Networks of Host-Guest
 Assemblies
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D0SC03437A
_journal_year                    2020
_chemical_formula_moiety
'C30 H42 Ag O4 P8 Ta2, Sb F6, (C H2 Cl2)0.35 '
_chemical_formula_structural
'[(C13 H21 Ta (C O)2 P4)2 Ag](Sb F6) * 0.35(C H2 Cl2)'
_chemical_formula_sum            'C30.35 H42.7 Ag Cl0.7 F6 O4 P8 Sb Ta2'
_chemical_formula_weight         1449.64
_chemical_properties_physical
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-06-15 deposited with the CCDC.	2020-08-10 downloaded from the CCDC.
;
_cell_angle_alpha                96.742(4)
_cell_angle_beta                 90.464(4)
_cell_angle_gamma                101.225(4)
_cell_formula_units_Z            2
_cell_length_a                   10.4796(5)
_cell_length_b                   14.2670(6)
_cell_length_c                   17.0118(8)
_cell_measurement_reflns_used    5891
_cell_measurement_temperature    89.9(4)
_cell_measurement_theta_max      73.5030
_cell_measurement_theta_min      3.8420
_cell_volume                     2476.3(2)
_computing_cell_refinement       'CrysAlisPro 1.171.39.37b (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.37b (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.37b (Rigaku OD, 2017)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2015/3 (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      89.9(4)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 4.2047
_diffrn_detector_type            TitanS2
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.936
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, TitanS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0517
_diffrn_reflns_av_unetI/netI     0.0670
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.936
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            17168
_diffrn_reflns_point_group_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.936
_diffrn_reflns_theta_full        67.500
_diffrn_reflns_theta_max         75.301
_diffrn_reflns_theta_min         3.868
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    18.582
_exptl_absorpt_correction_T_max  0.759
_exptl_absorpt_correction_T_min  0.233
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.37b (Rigaku Oxford Diffraction, 2017)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.944
_exptl_crystal_description       rod
_exptl_crystal_F_000             1373
_exptl_crystal_size_max          0.188
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.033
_refine_diff_density_max         5.615
_refine_diff_density_min         -1.077
_refine_diff_density_rms         0.274
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     511
_refine_ls_number_reflns         9589
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.0907
_refine_ls_R_factor_gt           0.0671
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1191P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1705
_refine_ls_wR_factor_ref         0.1823
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6812
_reflns_number_total             9589
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0sc03437a2.cif
_cod_data_source_block           prof
_cod_original_formula_sum        'C30.35 H42.70 Ag Cl0.70 F6 O4 P8 Sb Ta2'
_cod_database_code               1558832
_shelx_shelxl_version_number     2014/7
_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.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.514
_oxdiff_exptl_absorpt_empirical_full_max 1.696
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
loop_
_space_group_symop_operation_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_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
Ta1 Ta 0.11380(5) 0.22254(4) 0.35258(3) 0.03674(16) Uani 1 1 d . . . . .
Ta2 Ta 0.50255(5) 0.19539(4) 0.68767(3) 0.03556(15) Uani 1 1 d . . . . .
Ag1 Ag 0.24529(8) -0.02414(6) 0.49790(5) 0.0406(2) Uani 1 1 d . . . . .
P1 P 0.1178(4) 0.0646(3) 0.4174(2) 0.0525(8) Uani 1 1 d . . . . .
P2 P -0.0698(3) 0.1069(3) 0.4164(2) 0.0496(8) Uani 1 1 d . . . . .
P3 P -0.0675(4) 0.0837(3) 0.2875(2) 0.0512(8) Uani 1 1 d . . . . .
P4 P 0.1214(4) 0.0453(3) 0.2885(2) 0.0544(8) Uani 1 1 d . . . . .
P5 P 0.4124(3) 0.0244(2) 0.60798(17) 0.0458(7) Uani 1 1 d . . . . .
P6 P 0.3860(3) 0.0299(3) 0.73441(18) 0.0503(8) Uani 1 1 d . . . . .
P7 P 0.5951(4) 0.0616(3) 0.74888(19) 0.0493(7) Uani 1 1 d . . . . .
P8 P 0.6206(3) 0.0624(2) 0.62273(18) 0.0453(7) Uani 1 1 d . . . . .
O1C O 0.1407(12) 0.2979(11) 0.5389(5) 0.078(4) Uani 1 1 d . . . . .
O2C O 0.4162(9) 0.2036(8) 0.3571(6) 0.057(2) Uani 1 1 d . . . . .
O3C O 0.1941(11) 0.1832(10) 0.6590(7) 0.074(3) Uani 1 1 d . . . . .
O4C O 0.5564(13) 0.2288(8) 0.5061(6) 0.073(3) Uani 1 1 d . . . . .
C1C C 0.1350(14) 0.2723(12) 0.4742(7) 0.054(3) Uani 1 1 d . . . . .
C2C C 0.3146(13) 0.2117(10) 0.3558(7) 0.045(3) Uani 1 1 d . . . . .
C3C C 0.3036(15) 0.1895(12) 0.6681(8) 0.056(3) Uani 1 1 d . . . . .
C4C C 0.5295(14) 0.2193(11) 0.5683(7) 0.051(3) Uani 1 1 d . . . . .
C11 C -0.0058(12) 0.3448(9) 0.3251(7) 0.043(3) Uani 1 1 d . . . . .
C12 C 0.0235(12) 0.2975(9) 0.2521(6) 0.042(3) Uani 1 1 d . . . . .
H12 H -0.0392 0.2609 0.2142 0.050 Uiso 1 1 calc R U . . .
C13 C 0.1617(11) 0.3123(9) 0.2434(7) 0.040(2) Uani 1 1 d . . . . .
C14 C 0.2144(12) 0.3744(9) 0.3137(7) 0.042(3) Uani 1 1 d . . . . .
H14 H 0.3044 0.3991 0.3253 0.050 Uiso 1 1 calc R U . . .
C15 C 0.1118(13) 0.3932(10) 0.3627(7) 0.045(3) Uani 1 1 d . . . . .
H15 H 0.1212 0.4320 0.4125 0.054 Uiso 1 1 calc R U . . .
C21 C 0.6884(12) 0.3142(9) 0.7386(6) 0.039(2) Uani 1 1 d . . . . .
C22 C 0.6138(13) 0.2855(10) 0.8039(7) 0.046(3) Uani 1 1 d . . . . .
H22 H 0.6413 0.2530 0.8446 0.056 Uiso 1 1 calc R U . . .
C23 C 0.4926(14) 0.3128(11) 0.7987(8) 0.055(3) Uani 1 1 d . . . . .
C24 C 0.4918(15) 0.3576(11) 0.7279(9) 0.058(3) Uani 1 1 d . . . . .
H24 H 0.4214 0.3819 0.7079 0.069 Uiso 1 1 calc R U . . .
C25 C 0.6119(15) 0.3594(10) 0.6933(7) 0.052(3) Uani 1 1 d . . . . .
H25 H 0.6379 0.3869 0.6463 0.063 Uiso 1 1 calc R U . . .
C111 C -0.1417(14) 0.3570(10) 0.3552(8) 0.053(3) Uani 1 1 d . . . . .
C112 C -0.1442(17) 0.3661(13) 0.4441(10) 0.068(4) Uani 1 1 d . . . . .
H11A H -0.1475 0.3028 0.4618 0.102 Uiso 1 1 calc R U . . .
H11B H -0.2213 0.3911 0.4620 0.102 Uiso 1 1 calc R U . . .
H11C H -0.0656 0.4105 0.4665 0.102 Uiso 1 1 calc R U . . .
C113 C -0.1691(18) 0.4495(13) 0.3226(11) 0.074(5) Uani 1 1 d . . . . .
H11D H -0.0938 0.5022 0.3348 0.112 Uiso 1 1 calc R U . . .
H11E H -0.2461 0.4678 0.3475 0.112 Uiso 1 1 calc R U . . .
H11F H -0.1845 0.4366 0.2651 0.112 Uiso 1 1 calc R U . . .
C114 C -0.2487(14) 0.2732(13) 0.3200(9) 0.062(4) Uani 1 1 d . . . . .
H11G H -0.2300 0.2537 0.2648 0.093 Uiso 1 1 calc R U . . .
H11H H -0.3328 0.2935 0.3222 0.093 Uiso 1 1 calc R U . . .
H11I H -0.2518 0.2187 0.3506 0.093 Uiso 1 1 calc R U . . .
C131 C 0.2353(16) 0.2951(11) 0.1677(7) 0.054(3) Uani 1 1 d . . . . .
C132 C 0.3703(18) 0.284(2) 0.1810(9) 0.093(7) Uani 1 1 d . . . . .
H13A H 0.4079 0.3262 0.2286 0.140 Uiso 1 1 calc R U . . .
H13B H 0.4217 0.3015 0.1352 0.140 Uiso 1 1 calc R U . . .
H13C H 0.3711 0.2170 0.1882 0.140 Uiso 1 1 calc R U . . .
C133 C 0.1599(19) 0.2053(14) 0.1160(8) 0.075(5) Uani 1 1 d . . . . .
H13D H 0.1743 0.1473 0.1375 0.112 Uiso 1 1 calc R U . . .
H13E H 0.1906 0.2048 0.0618 0.112 Uiso 1 1 calc R U . . .
H13F H 0.0667 0.2067 0.1159 0.112 Uiso 1 1 calc R U . . .
C134 C 0.2332(19) 0.3834(14) 0.1227(9) 0.074(5) Uani 1 1 d . . . . .
H13G H 0.1449 0.3966 0.1220 0.111 Uiso 1 1 calc R U . . .
H13H H 0.2602 0.3697 0.0682 0.111 Uiso 1 1 calc R U . . .
H13I H 0.2931 0.4397 0.1495 0.111 Uiso 1 1 calc R U . . .
C211 C 0.8336(12) 0.3166(9) 0.7286(7) 0.045(3) Uani 1 1 d . . . . .
C212 C 0.9059(14) 0.4101(11) 0.7802(8) 0.056(3) Uani 1 1 d . . . . .
H21A H 0.8750 0.4659 0.7643 0.083 Uiso 1 1 calc R U . . .
H21B H 0.9998 0.4180 0.7724 0.083 Uiso 1 1 calc R U . . .
H21C H 0.8882 0.4050 0.8362 0.083 Uiso 1 1 calc R U . . .
C213 C 0.8779(14) 0.2297(12) 0.7571(11) 0.063(4) Uani 1 1 d . . . . .
H21D H 0.8533 0.2250 0.8122 0.094 Uiso 1 1 calc R U . . .
H21E H 0.9726 0.2378 0.7536 0.094 Uiso 1 1 calc R U . . .
H21F H 0.8360 0.1709 0.7237 0.094 Uiso 1 1 calc R U . . .
C214 C 0.8686(16) 0.3215(13) 0.6421(9) 0.068(4) Uani 1 1 d . . . . .
H21G H 0.8249 0.2623 0.6100 0.101 Uiso 1 1 calc R U . . .
H21H H 0.9630 0.3287 0.6373 0.101 Uiso 1 1 calc R U . . .
H21I H 0.8403 0.3769 0.6234 0.101 Uiso 1 1 calc R U . . .
C23B C 0.382(4) 0.335(3) 0.854(2) 0.054(8) Uiso 0.45 1 d . . P A 1
C235 C 0.249(4) 0.332(3) 0.828(3) 0.075(11) Uiso 0.45 1 d . . P A 1
H23A H 0.2476 0.3849 0.7964 0.112 Uiso 0.45 1 calc R U P A 1
H23B H 0.2156 0.2705 0.7959 0.112 Uiso 0.45 1 calc R U P A 1
H23C H 0.1949 0.3390 0.8742 0.112 Uiso 0.45 1 calc R U P A 1
C236 C 0.366(6) 0.250(4) 0.902(3) 0.096(15) Uiso 0.45 1 d . . P A 1
H23D H 0.4516 0.2331 0.9096 0.144 Uiso 0.45 1 calc R U P A 1
H23E H 0.3073 0.1947 0.8727 0.144 Uiso 0.45 1 calc R U P A 1
H23F H 0.3305 0.2669 0.9532 0.144 Uiso 0.45 1 calc R U P A 1
C237 C 0.464(4) 0.399(3) 0.930(2) 0.065(9) Uiso 0.45 1 d . . P A 1
H23G H 0.5418 0.3731 0.9401 0.097 Uiso 0.45 1 calc R U P A 1
H23H H 0.4095 0.3956 0.9770 0.097 Uiso 0.45 1 calc R U P A 1
H23I H 0.4888 0.4656 0.9196 0.097 Uiso 0.45 1 calc R U P A 1
C23A C 0.405(3) 0.3075(19) 0.8701(14) 0.044(5) Uiso 0.55 1 d . . P A 2
C232 C 0.262(4) 0.296(3) 0.848(2) 0.075(9) Uiso 0.55 1 d . . P A 2
H23J H 0.2525 0.3221 0.7978 0.113 Uiso 0.55 1 calc R U P A 2
H23K H 0.2185 0.3301 0.8896 0.113 Uiso 0.55 1 calc R U P A 2
H23L H 0.2210 0.2271 0.8415 0.113 Uiso 0.55 1 calc R U P A 2
C233 C 0.435(3) 0.422(2) 0.9084(16) 0.054(6) Uiso 0.55 1 d . . P A 2
H23M H 0.5297 0.4446 0.9157 0.080 Uiso 0.55 1 calc R U P A 2
H23N H 0.3942 0.4282 0.9597 0.080 Uiso 0.55 1 calc R U P A 2
H23O H 0.4004 0.4602 0.8725 0.080 Uiso 0.55 1 calc R U P A 2
C234 C 0.408(3) 0.228(2) 0.9188(16) 0.055(6) Uiso 0.55 1 d . . P A 2
H23P H 0.4978 0.2273 0.9343 0.083 Uiso 0.55 1 calc R U P A 2
H23Q H 0.3694 0.1660 0.8878 0.083 Uiso 0.55 1 calc R U P A 2
H23R H 0.3573 0.2369 0.9664 0.083 Uiso 0.55 1 calc R U P A 2
Sb1 Sb 0.8027(2) 0.34260(19) 1.03930(11) 0.0707(6) Uani 0.5 1 d . . P . .
F11 F 0.777(3) 0.4309(19) 0.9741(12) 0.101(3) Uani 0.5 1 d . . P . .
F12 F 0.944(3) 0.327(2) 0.9864(13) 0.101(3) Uani 0.5 1 d . . P . .
F13 F 0.730(3) 0.242(2) 0.9622(13) 0.101(3) Uani 0.5 1 d . . P . .
F14 F 0.656(3) 0.340(2) 1.0830(12) 0.101(3) Uani 0.5 1 d . . P . .
F15 F 0.822(3) 0.249(2) 1.1054(13) 0.101(3) Uani 0.5 1 d . . P . .
F16 F 0.885(3) 0.435(2) 1.1134(13) 0.101(3) Uani 0.5 1 d . . P . .
Sb2 Sb 0.5000 0.5000 0.5000 0.0410(2) Uani 1 2 d S . P . .
F21 F 0.6581(8) 0.4797(6) 0.5393(5) 0.058(2) Uani 1 1 d . . . . .
F22 F 0.491(2) 0.5933(15) 0.5872(13) 0.060(2) Uani 0.5 1 d . . P B 1
F23 F 0.411(2) 0.4017(17) 0.5560(11) 0.060(2) Uani 0.5 1 d . . P B 1
F22A F 0.474(2) 0.5558(15) 0.6034(13) 0.060(2) Uani 0.5 1 d . . P B 2
F23A F 0.417(2) 0.3794(17) 0.5228(11) 0.060(2) Uani 0.5 1 d . . P B 2
C1S C 0.061(9) -0.064(7) 0.046(5) 0.08(2) Uiso 0.2 1 d . . P C -1
H1SA H 0.0559 -0.1338 0.0321 0.090 Uiso 0.2 1 calc R U P C -1
H1SB H 0.1370 -0.0401 0.0832 0.090 Uiso 0.2 1 calc R U P C -1
Cl11 Cl -0.0577(19) -0.0507(14) 0.0899(11) 0.066(5) Uani 0.2 1 d . . P C -1
Cl12 Cl 0.094(3) -0.005(2) -0.0454(16) 0.090(6) Uiso 0.2 1 d . . P C -1
C2S C 0.587(5) 0.060(9) 0.027(4) 0.09(4) Uiso 0.15 1 d D . P D -2
H2SA H 0.6525 0.0328 0.0547 0.111 Uiso 0.15 1 calc R U P D -2
H2SB H 0.6204 0.1287 0.0231 0.111 Uiso 0.15 1 calc R U P D -2
Cl21 Cl 0.539(5) -0.008(4) -0.069(2) 0.067(10) Uiso 0.1 1 d D . P D -2
Cl22 Cl 0.432(3) 0.038(2) 0.0711(14) 0.078(6) Uiso 0.2 1 d D . P D -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'
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'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 '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'
Ta Ta -5.7959 5.2718 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 -1 1 0.0321
0 1 -1 0.0010
0 0 1 0.0262
0 0 -1 0.0082
-5 1 -7 0.0562
0 -2 -5 0.0113
5 4 3 0.0598
6 1 0 0.0732
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
C1C Ta1 C2C 87.7(5) . . ?
C1C Ta1 C13 128.4(5) . . ?
C2C Ta1 C13 87.3(4) . . ?
C1C Ta1 C14 93.7(5) . . ?
C2C Ta1 C14 79.0(5) . . ?
C13 Ta1 C14 35.1(4) . . ?
C1C Ta1 C12 126.5(5) . . ?
C2C Ta1 C12 122.0(4) . . ?
C13 Ta1 C12 34.9(4) . . ?
C14 Ta1 C12 56.6(4) . . ?
C1C Ta1 C11 93.1(5) . . ?
C2C Ta1 C11 135.5(4) . . ?
C13 Ta1 C11 58.1(4) . . ?
C14 Ta1 C11 56.5(4) . . ?
C12 Ta1 C11 34.0(4) . . ?
C1C Ta1 C15 74.4(5) . . ?
C2C Ta1 C15 105.9(5) . . ?
C13 Ta1 C15 58.0(4) . . ?
C14 Ta1 C15 34.1(4) . . ?
C12 Ta1 C15 56.0(4) . . ?
C11 Ta1 C15 33.6(4) . . ?
C1C Ta1 P3 125.4(4) . . ?
C2C Ta1 P3 122.5(4) . . ?
C13 Ta1 P3 99.8(3) . . ?
C14 Ta1 P3 133.0(3) . . ?
C12 Ta1 P3 77.9(3) . . ?
C11 Ta1 P3 92.7(3) . . ?
C15 Ta1 P3 126.2(3) . . ?
C1C Ta1 P2 76.0(5) . . ?
C2C Ta1 P2 123.7(3) . . ?
C13 Ta1 P2 143.7(3) . . ?
C14 Ta1 P2 153.8(3) . . ?
C12 Ta1 P2 110.4(3) . . ?
C11 Ta1 P2 99.4(3) . . ?
C15 Ta1 P2 119.9(3) . . ?
P3 Ta1 P2 49.47(12) . . ?
C1C Ta1 P1 77.1(4) . . ?
C2C Ta1 P1 75.2(3) . . ?
C13 Ta1 P1 149.0(3) . . ?
C14 Ta1 P1 152.9(3) . . ?
C12 Ta1 P1 147.8(3) . . ?
C11 Ta1 P1 148.0(3) . . ?
C15 Ta1 P1 151.4(3) . . ?
P3 Ta1 P1 70.07(12) . . ?
P2 Ta1 P1 48.83(11) . . ?
C1C Ta1 P4 125.4(4) . . ?
C2C Ta1 P4 74.1(4) . . ?
C13 Ta1 P4 102.1(3) . . ?
C14 Ta1 P4 130.3(3) . . ?
C12 Ta1 P4 106.2(3) . . ?
C11 Ta1 P4 135.4(3) . . ?
C15 Ta1 P4 159.8(3) . . ?
P3 Ta1 P4 48.48(12) . . ?
P2 Ta1 P4 73.15(12) . . ?
P1 Ta1 P4 48.76(11) . . ?
C3C Ta2 C4C 87.9(6) . . ?
C3C Ta2 C24 80.0(6) . . ?
C4C Ta2 C24 92.7(6) . . ?
C3C Ta2 C25 108.1(6) . . ?
C4C Ta2 C25 75.1(5) . . ?
C24 Ta2 C25 34.1(5) . . ?
C3C Ta2 C22 120.7(5) . . ?
C4C Ta2 C22 128.7(5) . . ?
C24 Ta2 C22 57.2(5) . . ?
C25 Ta2 C22 56.6(4) . . ?
C3C Ta2 C23 87.2(5) . . ?
C4C Ta2 C23 127.4(6) . . ?
C24 Ta2 C23 35.0(5) . . ?
C25 Ta2 C23 57.1(5) . . ?
C22 Ta2 C23 34.2(5) . . ?
C3C Ta2 C21 137.1(5) . . ?
C4C Ta2 C21 95.2(5) . . ?
C24 Ta2 C21 57.1(5) . . ?
C25 Ta2 C21 34.0(5) . . ?
C22 Ta2 C21 34.4(4) . . ?
C23 Ta2 C21 57.3(4) . . ?
C3C Ta2 P8 122.1(4) . . ?
C4C Ta2 P8 73.3(4) . . ?
C24 Ta2 P8 152.2(4) . . ?
C25 Ta2 P8 118.1(4) . . ?
C22 Ta2 P8 113.3(4) . . ?
C23 Ta2 P8 146.9(4) . . ?
C21 Ta2 P8 99.5(3) . . ?
C3C Ta2 P7 123.4(4) . . ?
C4C Ta2 P7 122.1(4) . . ?
C24 Ta2 P7 135.8(4) . . ?
C25 Ta2 P7 124.6(4) . . ?
C22 Ta2 P7 79.0(4) . . ?
C23 Ta2 P7 103.7(4) . . ?
C21 Ta2 P7 90.7(3) . . ?
P8 Ta2 P7 49.02(10) . . ?
C3C Ta2 P5 74.4(4) . . ?
C4C Ta2 P5 76.4(4) . . ?
C24 Ta2 P5 152.4(4) . . ?
C25 Ta2 P5 151.3(3) . . ?
C22 Ta2 P5 147.6(3) . . ?
C23 Ta2 P5 150.0(4) . . ?
C21 Ta2 P5 147.8(3) . . ?
P8 Ta2 P5 48.31(11) . . ?
P7 Ta2 P5 69.23(11) . . ?
C3C Ta2 P6 75.1(4) . . ?
C4C Ta2 P6 124.5(4) . . ?
C24 Ta2 P6 133.4(4) . . ?
C25 Ta2 P6 160.4(3) . . ?
C22 Ta2 P6 104.7(3) . . ?
C23 Ta2 P6 104.5(4) . . ?
C21 Ta2 P6 132.7(3) . . ?
P8 Ta2 P6 72.66(11) . . ?
P7 Ta2 P6 48.30(11) . . ?
P5 Ta2 P6 48.26(10) . . ?
P5 Ag1 P1 134.73(13) . . ?
P5 Ag1 P2 94.58(11) . 2_556 ?
P1 Ag1 P2 101.72(11) . 2_556 ?
P5 Ag1 P8 103.28(11) . 2_656 ?
P1 Ag1 P8 90.33(11) . 2_656 ?
P2 Ag1 P8 140.49(12) 2_556 2_656 ?
P2 P1 P4 92.37(19) . . ?
P2 P1 Ag1 139.46(17) . . ?
P4 P1 Ag1 120.54(19) . . ?
P2 P1 Ta1 65.17(12) . . ?
P4 P1 Ta1 66.14(13) . . ?
Ag1 P1 Ta1 146.90(17) . . ?
P1 P2 P3 87.32(19) . . ?
P1 P2 Ag1 117.60(16) . 2_556 ?
P3 P2 Ag1 125.70(19) . 2_556 ?
P1 P2 Ta1 66.00(12) . . ?
P3 P2 Ta1 64.91(12) . . ?
Ag1 P2 Ta1 167.71(18) 2_556 . ?
P4 P3 P2 92.68(19) . . ?
P4 P3 Ta1 67.06(15) . . ?
P2 P3 Ta1 65.62(13) . . ?
P3 P4 P1 87.60(19) . . ?
P3 P4 Ta1 64.46(14) . . ?
P1 P4 Ta1 65.10(14) . . ?
P8 P5 P6 92.48(17) . . ?
P8 P5 Ag1 138.44(16) . . ?
P6 P5 Ag1 128.90(17) . . ?
P8 P5 Ta2 64.93(12) . . ?
P6 P5 Ta2 66.07(13) . . ?
Ag1 P5 Ta2 130.05(15) . . ?
P7 P6 P5 87.51(17) . . ?
P7 P6 Ta2 64.96(12) . . ?
P5 P6 Ta2 65.68(12) . . ?
P6 P7 P8 92.27(17) . . ?
P6 P7 Ta2 66.74(13) . . ?
P8 P7 Ta2 65.28(12) . . ?
P5 P8 P7 87.65(17) . . ?
P5 P8 Ag1 117.23(15) . 2_656 ?
P7 P8 Ag1 147.71(19) . 2_656 ?
P5 P8 Ta2 66.76(13) . . ?
P7 P8 Ta2 65.70(13) . . ?
Ag1 P8 Ta2 141.09(15) 2_656 . ?
O1C C1C Ta1 177.1(13) . . ?
O2C C2C Ta1 178.1(13) . . ?
O3C C3C Ta2 177.2(14) . . ?
O4C C4C Ta2 172.3(14) . . ?
C15 C11 C12 107.6(11) . . ?
C15 C11 C111 124.0(12) . . ?
C12 C11 C111 127.8(12) . . ?
C15 C11 Ta1 73.3(7) . . ?
C12 C11 Ta1 72.1(7) . . ?
C111 C11 Ta1 127.3(7) . . ?
C11 C12 C13 110.3(11) . . ?
C11 C12 Ta1 74.0(7) . . ?
C13 C12 Ta1 71.9(6) . . ?
C11 C12 H12 124.9 . . ?
C13 C12 H12 124.9 . . ?
Ta1 C12 H12 120.9 . . ?
C12 C13 C14 104.3(10) . . ?
C12 C13 C131 127.7(11) . . ?
C14 C13 C131 125.3(11) . . ?
C12 C13 Ta1 73.2(6) . . ?
C14 C13 Ta1 72.7(6) . . ?
C131 C13 Ta1 132.5(9) . . ?
C15 C14 C13 109.5(11) . . ?
C15 C14 Ta1 74.3(7) . . ?
C13 C14 Ta1 72.1(7) . . ?
C15 C14 H14 125.3 . . ?
C13 C14 H14 125.3 . . ?
Ta1 C14 H14 120.0 . . ?
C11 C15 C14 108.2(12) . . ?
C11 C15 Ta1 73.1(8) . . ?
C14 C15 Ta1 71.5(7) . . ?
C11 C15 H15 125.9 . . ?
C14 C15 H15 125.9 . . ?
Ta1 C15 H15 121.2 . . ?
C25 C21 C22 107.0(11) . . ?
C25 C21 C211 125.0(11) . . ?
C22 C21 C211 126.7(11) . . ?
C25 C21 Ta2 72.5(8) . . ?
C22 C21 Ta2 72.3(7) . . ?
C211 C21 Ta2 130.6(8) . . ?
C23 C22 C21 109.0(12) . . ?
C23 C22 Ta2 73.0(7) . . ?
C21 C22 Ta2 73.2(7) . . ?
C23 C22 H22 125.5 . . ?
C21 C22 H22 125.5 . . ?
Ta2 C22 H22 120.0 . . ?
C22 C23 C24 106.6(12) . . ?
C22 C23 C23A 118.9(16) . . ?
C24 C23 C23A 133.4(16) . . ?
C22 C23 C23B 138.7(18) . . ?
C24 C23 C23B 111.7(19) . . ?
C22 C23 Ta2 72.8(7) . . ?
C24 C23 Ta2 71.3(7) . . ?
C23A C23 Ta2 130.1(13) . . ?
C23B C23 Ta2 133.8(16) . . ?
C25 C24 C23 108.2(12) . . ?
C25 C24 Ta2 74.1(8) . . ?
C23 C24 Ta2 73.7(8) . . ?
C25 C24 H24 125.9 . . ?
C23 C24 H24 125.9 . . ?
Ta2 C24 H24 118.2 . . ?
C24 C25 C21 109.2(11) . . ?
C24 C25 Ta2 71.9(9) . . ?
C21 C25 Ta2 73.5(7) . . ?
C24 C25 H25 125.4 . . ?
C21 C25 H25 125.4 . . ?
Ta2 C25 H25 120.9 . . ?
C112 C111 C114 109.7(12) . . ?
C112 C111 C11 111.4(12) . . ?
C114 C111 C11 111.5(12) . . ?
C112 C111 C113 111.6(13) . . ?
C114 C111 C113 106.9(14) . . ?
C11 C111 C113 105.7(10) . . ?
C111 C112 H11A 109.5 . . ?
C111 C112 H11B 109.5 . . ?
H11A C112 H11B 109.5 . . ?
C111 C112 H11C 109.5 . . ?
H11A C112 H11C 109.5 . . ?
H11B C112 H11C 109.5 . . ?
C111 C113 H11D 109.5 . . ?
C111 C113 H11E 109.5 . . ?
H11D C113 H11E 109.5 . . ?
C111 C113 H11F 109.5 . . ?
H11D C113 H11F 109.5 . . ?
H11E C113 H11F 109.5 . . ?
C111 C114 H11G 109.5 . . ?
C111 C114 H11H 109.5 . . ?
H11G C114 H11H 109.5 . . ?
C111 C114 H11I 109.5 . . ?
H11G C114 H11I 109.5 . . ?
H11H C114 H11I 109.5 . . ?
C132 C131 C13 114.3(12) . . ?
C132 C131 C133 109.5(15) . . ?
C13 C131 C133 109.1(12) . . ?
C132 C131 C134 110.2(15) . . ?
C13 C131 C134 105.7(11) . . ?
C133 C131 C134 107.7(14) . . ?
C131 C132 H13A 109.5 . . ?
C131 C132 H13B 109.5 . . ?
H13A C132 H13B 109.5 . . ?
C131 C132 H13C 109.5 . . ?
H13A C132 H13C 109.5 . . ?
H13B C132 H13C 109.5 . . ?
C131 C133 H13D 109.5 . . ?
C131 C133 H13E 109.5 . . ?
H13D C133 H13E 109.5 . . ?
C131 C133 H13F 109.5 . . ?
H13D C133 H13F 109.5 . . ?
H13E C133 H13F 109.5 . . ?
C131 C134 H13G 109.5 . . ?
C131 C134 H13H 109.5 . . ?
H13G C134 H13H 109.5 . . ?
C131 C134 H13I 109.5 . . ?
H13G C134 H13I 109.5 . . ?
H13H C134 H13I 109.5 . . ?
C214 C211 C21 110.4(12) . . ?
C214 C211 C213 109.0(13) . . ?
C21 C211 C213 113.0(11) . . ?
C214 C211 C212 109.5(11) . . ?
C21 C211 C212 106.2(10) . . ?
C213 C211 C212 108.7(12) . . ?
C211 C212 H21A 109.5 . . ?
C211 C212 H21B 109.5 . . ?
H21A C212 H21B 109.5 . . ?
C211 C212 H21C 109.5 . . ?
H21A C212 H21C 109.5 . . ?
H21B C212 H21C 109.5 . . ?
C211 C213 H21D 109.5 . . ?
C211 C213 H21E 109.5 . . ?
H21D C213 H21E 109.5 . . ?
C211 C213 H21F 109.5 . . ?
H21D C213 H21F 109.5 . . ?
H21E C213 H21F 109.5 . . ?
C211 C214 H21G 109.5 . . ?
C211 C214 H21H 109.5 . . ?
H21G C214 H21H 109.5 . . ?
C211 C214 H21I 109.5 . . ?
H21G C214 H21I 109.5 . . ?
H21H C214 H21I 109.5 . . ?
C235 C23B C236 102(4) . . ?
C235 C23B C23 124(3) . . ?
C236 C23B C23 100(3) . . ?
C235 C23B C237 129(3) . . ?
C236 C23B C237 87(3) . . ?
C23 C23B C237 102(3) . . ?
C23B C235 H23A 109.5 . . ?
C23B C235 H23B 109.5 . . ?
H23A C235 H23B 109.5 . . ?
C23B C235 H23C 109.5 . . ?
H23A C235 H23C 109.5 . . ?
H23B C235 H23C 109.5 . . ?
C23B C236 H23D 109.5 . . ?
C23B C236 H23E 109.5 . . ?
H23D C236 H23E 109.5 . . ?
C23B C236 H23F 109.5 . . ?
H23D C236 H23F 109.5 . . ?
H23E C236 H23F 109.5 . . ?
C23B C237 H23G 109.5 . . ?
C23B C237 H23H 109.5 . . ?
H23G C237 H23H 109.5 . . ?
C23B C237 H23I 109.5 . . ?
H23G C237 H23I 109.5 . . ?
H23H C237 H23I 109.5 . . ?
C234 C23A C232 103(3) . . ?
C234 C23A C23 117(2) . . ?
C232 C23A C23 113(2) . . ?
C234 C23A C233 122(2) . . ?
C232 C23A C233 100(2) . . ?
C23 C23A C233 100.2(18) . . ?
C23A C232 H23J 109.5 . . ?
C23A C232 H23K 109.5 . . ?
H23J C232 H23K 109.5 . . ?
C23A C232 H23L 109.5 . . ?
H23J C232 H23L 109.5 . . ?
H23K C232 H23L 109.5 . . ?
C23A C233 H23M 109.5 . . ?
C23A C233 H23N 109.5 . . ?
H23M C233 H23N 109.5 . . ?
C23A C233 H23O 109.5 . . ?
H23M C233 H23O 109.5 . . ?
H23N C233 H23O 109.5 . . ?
C23A C234 H23P 109.5 . . ?
C23A C234 H23Q 109.5 . . ?
H23P C234 H23Q 109.5 . . ?
C23A C234 H23R 109.5 . . ?
H23P C234 H23R 109.5 . . ?
H23Q C234 H23R 109.5 . . ?
F14 Sb1 F12 171.1(13) . . ?
F14 Sb1 F16 92.4(12) . . ?
F12 Sb1 F16 95.9(12) . . ?
F14 Sb1 F11 93.7(12) . . ?
F12 Sb1 F11 89.2(12) . . ?
F16 Sb1 F11 92.0(11) . . ?
F14 Sb1 F13 91.5(12) . . ?
F12 Sb1 F13 80.0(12) . . ?
F16 Sb1 F13 175.0(13) . . ?
F11 Sb1 F13 90.7(11) . . ?
F14 Sb1 F15 84.3(12) . . ?
F12 Sb1 F15 92.5(12) . . ?
F16 Sb1 F15 89.7(11) . . ?
F11 Sb1 F15 177.4(12) . . ?
F13 Sb1 F15 87.7(11) . . ?
F23A Sb2 F23A 180.0 2_666 . ?
F23A Sb2 F21 90.5(7) 2_666 2_666 ?
F23A Sb2 F21 89.5(7) . 2_666 ?
F23A Sb2 F21 89.5(7) 2_666 . ?
F23A Sb2 F21 90.5(7) . . ?
F21 Sb2 F21 180.0(5) 2_666 . ?
F21 Sb2 F23 89.4(7) 2_666 2_666 ?
F21 Sb2 F23 90.6(7) . 2_666 ?
F21 Sb2 F23 90.6(7) 2_666 . ?
F21 Sb2 F23 89.4(7) . . ?
F23 Sb2 F23 180.0(17) 2_666 . ?
F23A Sb2 F22A 91.2(8) 2_666 2_666 ?
F23A Sb2 F22A 88.8(8) . 2_666 ?
F21 Sb2 F22A 86.8(7) 2_666 2_666 ?
F21 Sb2 F22A 93.2(7) . 2_666 ?
F23A Sb2 F22A 88.8(8) 2_666 . ?
F23A Sb2 F22A 91.2(8) . . ?
F21 Sb2 F22A 93.2(7) 2_666 . ?
F21 Sb2 F22A 86.8(7) . . ?
F22A Sb2 F22A 180.0 2_666 . ?
F21 Sb2 F22 89.1(6) 2_666 . ?
F21 Sb2 F22 90.9(7) . . ?
F23 Sb2 F22 89.3(8) 2_666 . ?
F23 Sb2 F22 90.7(8) . . ?
F21 Sb2 F22 90.9(7) 2_666 2_666 ?
F21 Sb2 F22 89.1(6) . 2_666 ?
F23 Sb2 F22 90.7(8) 2_666 2_666 ?
F23 Sb2 F22 89.3(8) . 2_666 ?
F22 Sb2 F22 180.0 . 2_666 ?
Cl11 C1S Cl12 118(6) . . ?
Cl11 C1S H1SA 107.8 . . ?
Cl12 C1S H1SA 107.8 . . ?
Cl11 C1S H1SB 107.8 . . ?
Cl12 C1S H1SB 107.8 . . ?
H1SA C1S H1SB 107.2 . . ?
Cl22 C2S Cl21 98(3) . . ?
Cl22 C2S H2SA 112.2 . . ?
Cl21 C2S H2SA 112.2 . . ?
Cl22 C2S H2SB 112.2 . . ?
Cl21 C2S H2SB 112.2 . . ?
H2SA C2S H2SB 109.8 . . ?
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
Ta1 C1C 2.102(13) . ?
Ta1 C2C 2.140(13) . ?
Ta1 C13 2.380(10) . ?
Ta1 C14 2.389(12) . ?
Ta1 C12 2.398(12) . ?
Ta1 C11 2.423(13) . ?
Ta1 C15 2.425(13) . ?
Ta1 P3 2.596(4) . ?
Ta1 P2 2.611(3) . ?
Ta1 P1 2.629(3) . ?
Ta1 P4 2.650(4) . ?
Ta2 C3C 2.093(15) . ?
Ta2 C4C 2.110(11) . ?
Ta2 C24 2.359(15) . ?
Ta2 C25 2.387(15) . ?
Ta2 C22 2.388(12) . ?
Ta2 C23 2.391(12) . ?
Ta2 C21 2.400(12) . ?
Ta2 P8 2.606(3) . ?
Ta2 P7 2.615(3) . ?
Ta2 P5 2.644(3) . ?
Ta2 P6 2.652(3) . ?
Ag1 P5 2.494(3) . ?
Ag1 P1 2.511(3) . ?
Ag1 P2 2.551(3) 2_556 ?
Ag1 P8 2.563(3) 2_656 ?
P1 P2 2.166(5) . ?
P1 P4 2.179(5) . ?
P2 P3 2.179(5) . ?
P2 Ag1 2.551(3) 2_556 ?
P3 P4 2.155(5) . ?
P5 P8 2.149(5) . ?
P5 P6 2.165(4) . ?
P6 P7 2.155(5) . ?
P7 P8 2.166(4) . ?
P8 Ag1 2.563(3) 2_656 ?
O1C C1C 1.115(16) . ?
O2C C2C 1.094(15) . ?
O3C C3C 1.141(17) . ?
O4C C4C 1.113(15) . ?
C11 C15 1.399(19) . ?
C11 C12 1.408(17) . ?
C11 C111 1.551(18) . ?
C12 C13 1.433(17) . ?
C12 H12 0.9500 . ?
C13 C14 1.439(17) . ?
C13 C131 1.526(16) . ?
C14 C15 1.413(17) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C21 C25 1.401(18) . ?
C21 C22 1.418(16) . ?
C21 C211 1.527(17) . ?
C22 C23 1.40(2) . ?
C22 H22 0.9500 . ?
C23 C24 1.43(2) . ?
C23 C23A 1.53(3) . ?
C23 C23B 1.56(4) . ?
C24 C25 1.39(2) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C111 C112 1.50(2) . ?
C111 C114 1.53(2) . ?
C111 C113 1.57(2) . ?
C112 H11A 0.9800 . ?
C112 H11B 0.9800 . ?
C112 H11C 0.9800 . ?
C113 H11D 0.9800 . ?
C113 H11E 0.9800 . ?
C113 H11F 0.9800 . ?
C114 H11G 0.9800 . ?
C114 H11H 0.9800 . ?
C114 H11I 0.9800 . ?
C131 C132 1.47(2) . ?
C131 C133 1.54(2) . ?
C131 C134 1.55(2) . ?
C132 H13A 0.9800 . ?
C132 H13B 0.9800 . ?
C132 H13C 0.9800 . ?
C133 H13D 0.9800 . ?
C133 H13E 0.9800 . ?
C133 H13F 0.9800 . ?
C134 H13G 0.9800 . ?
C134 H13H 0.9800 . ?
C134 H13I 0.9800 . ?
C211 C214 1.526(18) . ?
C211 C213 1.53(2) . ?
C211 C212 1.563(18) . ?
C212 H21A 0.9800 . ?
C212 H21B 0.9800 . ?
C212 H21C 0.9800 . ?
C213 H21D 0.9800 . ?
C213 H21E 0.9800 . ?
C213 H21F 0.9800 . ?
C214 H21G 0.9800 . ?
C214 H21H 0.9800 . ?
C214 H21I 0.9800 . ?
C23B C235 1.45(6) . ?
C23B C236 1.51(6) . ?
C23B C237 1.62(5) . ?
C235 H23A 0.9800 . ?
C235 H23B 0.9800 . ?
C235 H23C 0.9800 . ?
C236 H23D 0.9800 . ?
C236 H23E 0.9800 . ?
C236 H23F 0.9800 . ?
C237 H23G 0.9800 . ?
C237 H23H 0.9800 . ?
C237 H23I 0.9800 . ?
C23A C234 1.49(4) . ?
C23A C232 1.52(5) . ?
C23A C233 1.65(4) . ?
C232 H23J 0.9800 . ?
C232 H23K 0.9800 . ?
C232 H23L 0.9800 . ?
C233 H23M 0.9800 . ?
C233 H23N 0.9800 . ?
C233 H23O 0.9800 . ?
C234 H23P 0.9800 . ?
C234 H23Q 0.9800 . ?
C234 H23R 0.9800 . ?
Sb1 F14 1.71(3) . ?
Sb1 F12 1.78(3) . ?
Sb1 F16 1.80(3) . ?
Sb1 F11 1.83(2) . ?
Sb1 F13 1.87(3) . ?
Sb1 F15 1.88(2) . ?
Sb2 F23A 1.86(2) 2_666 ?
Sb2 F23A 1.86(2) . ?
Sb2 F21 1.868(7) 2_666 ?
Sb2 F21 1.868(7) . ?
Sb2 F23 1.89(2) 2_666 ?
Sb2 F23 1.89(2) . ?
Sb2 F22A 1.89(2) 2_666 ?
Sb2 F22A 1.89(2) . ?
Sb2 F22 1.89(2) . ?
Sb2 F22 1.89(2) 2_666 ?
C1S Cl11 1.48(9) . ?
C1S Cl12 1.86(9) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
C2S Cl22 1.79(2) . ?
C2S Cl21 1.80(2) . ?
C2S H2SA 0.9900 . ?
C2S H2SB 0.9900 . ?
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-0.0000 -1.0000 1.0000 -0.1348 -0.0026 -0.0020
0.0000 1.0000 -1.0000 0.1348 0.0026 0.0020
0.0000 -0.0000 1.0000 -0.0545 0.0594 0.0428
-0.0000 0.0000 -1.0000 0.0545 -0.0594 -0.0428
-5.0001 0.9999 -7.0001 0.3594 -0.0097 -0.9130
-0.0000 -2.0000 -5.0000 0.1117 -0.4209 -0.3036
5.0001 4.0000 3.0001 0.2599 0.0820 0.9660
6.0001 1.0001 0.0001 0.2028 -0.3509 0.8348
