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

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

data_prof
_database_code_depnum_ccdc_archive 'CCDC 2009904'
loop_
_audit_author_name
_audit_author_address
'Eugenia Peresypkina'
;University of Regensburg
Germany
;
_audit_update_record             
;
2020-06-15 deposited with the CCDC.	2020-08-10 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT971_prof                
;
PROBLEM: Check Calcd Resid. Dens.  0.95A   From Ta1             5.46 eA-3  
RESPONSE: The residual density comes most probably from the satellite on the 
          crystal as the crystals are systematically twinned 
;
_vrf_PLAT094_prof                
;
PROBLEM: Ratio of Maximum / Minimum Residual Density ....       5.21 Report
RESPONSE: The residual density comes most probably from the satellite on the 
          crystal as the crystals are systematically twinned 
;
_vrf_PLAT201_prof                
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) .......          4 Report
RESPONSE: The atoms belong to the minor disoredred fragment
;
# end Validation Reply Form


_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_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 H42.70 Ag Cl0.70 F6 O4 P8 Sb Ta2'
_chemical_formula_weight         1449.64

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -z'

_cell_length_a                   10.4796(5)
_cell_length_b                   14.2670(6)
_cell_length_c                   17.0118(8)
_cell_angle_alpha                96.742(4)
_cell_angle_beta                 90.464(4)
_cell_angle_gamma                101.225(4)
_cell_volume                     2476.3(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    89.9(4)
_cell_measurement_reflns_used    5891
_cell_measurement_theta_min      3.8420
_cell_measurement_theta_max      73.5030

_exptl_crystal_description       rod
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.944
_exptl_crystal_F_000             1373
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.188
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.033
_exptl_absorpt_coefficient_mu    18.582
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_
_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
_exptl_absorpt_correction_T_min  0.233
_exptl_absorpt_correction_T_max  0.759
_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.
;
_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
;

_diffrn_ambient_temperature      89.9(4)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_ambient_environment      N~2~
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, TitanS2'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            TitanS2
_diffrn_detector_area_resol_mean 4.2047
_diffrn_measurement_method       'ω scans'
_diffrn_reflns_number            17168
_diffrn_reflns_av_unetI/netI     0.0670
_diffrn_reflns_av_R_equivalents  0.0517
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         3.868
_diffrn_reflns_theta_max         75.301
_diffrn_reflns_theta_full        67.500
_diffrn_measured_fraction_theta_max 0.936
_diffrn_measured_fraction_theta_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.936
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.936
_diffrn_reflns_point_group_measured_fraction_full 0.978
_reflns_number_total             9589
_reflns_number_gt                6812
_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       'CrysAlisPro 1.171.39.37b (Rigaku OD, 2017)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.37b (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.37b (Rigaku OD, 2017)'
_computing_structure_solution    'SHELXL-2015/3 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.1191P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_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_number_reflns         9589
_refine_ls_number_parameters     511
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0907
_refine_ls_R_factor_gt           0.0671
_refine_ls_wR_factor_ref         0.1823
_refine_ls_wR_factor_gt          0.1705
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_restrained_S_all      0.996
_refine_ls_shift/su_max          0.001
_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
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


_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
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_
_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 . . ?

_refine_diff_density_max         5.615
_refine_diff_density_min         -1.077
_refine_diff_density_rms         0.274


_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Oxygen-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_mb057_ne
_database_code_depnum_ccdc_archive 'CCDC 2009905'
loop_
_audit_author_name
_audit_author_address
'Eugenia Peresypkina'
;University of Regensburg
Germany
;
_audit_update_record             
;
2020-06-15 deposited with the CCDC.	2020-08-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '(C15 H21 Ag O2 P4 Ta) +, (Sb F6) -'
_chemical_formula_structural     '[{C13 H21 Ta P4 (C O)2} Ag](Sb F6)'
_chemical_formula_sum            'C15 H21 Ag F6 O2 P4 Sb Ta'
_chemical_formula_weight         881.77

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'

_space_group_crystal_system      tetragonal
_space_group_IT_number           92
_space_group_name_H-M_alt        'P 41 21 2'
_space_group_name_Hall           'P 4abw 2nw'

_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, z+1/2'
'-y+1/2, x+1/2, z+1/4'
'y+1/2, -x+1/2, z+3/4'
'-x+1/2, y+1/2, -z+1/4'
'x+1/2, -y+1/2, -z+3/4'
'y, x, -z'
'-y, -x, -z+1/2'

_cell_length_a                   19.22628(9)
_cell_length_b                   19.22628(9)
_cell_length_c                   26.5819(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     9825.98(13)
_cell_formula_units_Z            16
_cell_measurement_temperature    89.9(4)
_cell_measurement_reflns_used    12037
_cell_measurement_theta_min      3.6100
_cell_measurement_theta_max      75.2990

_exptl_crystal_description       octahedron
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.384
_exptl_crystal_F_000             6592
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.070
_exptl_crystal_size_mid          0.048
_exptl_crystal_size_min          0.036
_shelx_estimated_absorpt_T_min   0.263
_shelx_estimated_absorpt_T_max   0.455
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
1 0 1 0.0129
-1 0 -1 0.0269
0 -1 -1 0.0181
0 1 1 0.0181
5 1 -15 0.0339
-5 -1 15 0.0199
0 -1 1 0.0290
0 1 -1 0.0290
-1 1 1 0.0218
1 -1 -1 0.0178
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
1.0000 -0.0000 1.0000 -0.0099 0.0430 0.0885
-1.0000 0.0000 -1.0000 0.0099 -0.0430 -0.0885
-0.0000 -1.0000 -1.0000 -0.0868 -0.0009 -0.0473
0.0000 1.0000 1.0000 0.0868 0.0009 0.0473
5.0000 1.0000 -15.0000 -0.5570 -0.7757 0.1077
-5.0000 -1.0000 15.0000 0.5570 0.7757 -0.1077
-0.0000 -1.0000 1.0000 -0.0302 0.0935 -0.0109
0.0000 1.0000 -1.0000 0.0302 -0.0935 0.0109
-1.0000 1.0000 1.0000 0.1250 0.0051 -0.0230
1.0000 -1.0000 -1.0000 -0.1250 -0.0051 0.0230
_exptl_absorpt_coefficient_mu    25.993
_exptl_absorpt_correction_T_min  0.306
_exptl_absorpt_correction_T_max  0.544
_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.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.657
_oxdiff_exptl_absorpt_empirical_full_max 1.427
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;

_diffrn_ambient_temperature      89.9(4)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_ambient_environment      N~2~
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, TitanS2'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            TitanS2
_diffrn_detector_area_resol_mean 4.2047
_diffrn_measurement_method       'ω scans'
_diffrn_reflns_number            21541
_diffrn_reflns_av_unetI/netI     0.0564
_diffrn_reflns_av_R_equivalents  0.0358
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         3.652
_diffrn_reflns_theta_max         75.196
_diffrn_reflns_theta_full        67.500
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             9807
_reflns_number_gt                8563
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.746
_reflns_Friedel_fraction_max     0.944
_reflns_Friedel_fraction_full    0.997

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

_computing_data_collection       'CrysAlisPro 1.171.39.37b (Rigaku OD, 2017)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.37b (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.37b (Rigaku OD, 2017)'
_computing_structure_solution    'SHELXT-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0276P)²] 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 
;
 Flack x determined using 3254 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.009(5)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         9807
_refine_ls_number_parameters     553
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0360
_refine_ls_R_factor_gt           0.0300
_refine_ls_wR_factor_ref         0.0620
_refine_ls_wR_factor_gt          0.0611
_refine_ls_goodness_of_fit_ref   0.951
_refine_ls_restrained_S_all      0.951
_refine_ls_shift/su_max          0.002
_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
Ag1 Ag -0.23645(4) 0.10722(4) 1.19078(2) 0.02171(14) Uani 1 1 d . . . . .
Ag2 Ag -0.46122(4) 0.11403(4) 1.29307(2) 0.02241(15) Uani 1 1 d . . . . .
Ta1 Ta -0.43576(2) 0.18923(2) 1.11889(2) 0.01675(9) Uani 1 1 d . . . . .
Ta2 Ta -0.03259(2) 0.24592(2) 1.13060(2) 0.01981(9) Uani 1 1 d . . . . .
P1 P -0.45531(13) 0.11853(13) 1.20086(8) 0.0194(5) Uani 1 1 d . . . . .
P2 P -0.35853(13) 0.09301(13) 1.16444(8) 0.0194(5) Uani 1 1 d . . . . .
P3 P -0.41409(13) 0.05832(14) 1.09892(8) 0.0208(5) Uani 1 1 d . . . . .
P4 P -0.51165(13) 0.07776(13) 1.13658(9) 0.0213(5) Uani 1 1 d . . . . .
P5 P -0.15045(14) 0.18896(14) 1.15654(9) 0.0235(5) Uani 1 1 d . . . . .
P6 P -0.09721(14) 0.24227(14) 1.21612(8) 0.0223(5) Uani 1 1 d . . . . .
P7 P -0.10830(15) 0.33862(14) 1.17664(9) 0.0255(5) Uani 1 1 d . . . . .
P8 P -0.16442(14) 0.28692(14) 1.11647(10) 0.0260(5) Uani 1 1 d . . . . .
C1 C -0.3805(6) 0.2465(6) 1.1747(3) 0.025(2) Uani 1 1 d . . . . .
C2 C -0.3419(5) 0.1897(6) 1.0782(3) 0.021(2) Uani 1 1 d . . . . .
C3 C -0.0652(6) 0.1948(6) 1.0642(3) 0.029(2) Uani 1 1 d . . . . .
C4 C -0.0254(6) 0.3397(6) 1.0889(3) 0.027(2) Uani 1 1 d . . . . .
O1 O -0.3493(4) 0.2739(4) 1.2046(2) 0.0295(16) Uani 1 1 d . . . . .
O2 O -0.2909(4) 0.1899(4) 1.0573(3) 0.0288(16) Uani 1 1 d . . . . .
O3 O -0.0844(5) 0.1681(5) 1.0295(3) 0.043(2) Uani 1 1 d . . . . .
O4 O -0.0207(5) 0.3913(4) 1.0695(3) 0.0371(19) Uani 1 1 d . . . . .
C11 C -0.5301(5) 0.2704(5) 1.1229(3) 0.0216(19) Uani 1 1 d . . . . .
C12 C -0.5458(5) 0.2206(5) 1.0854(3) 0.022(2) Uani 1 1 d . . . . .
H12A H -0.5878 0.1900 1.0852 0.026 Uiso 1 1 calc R U . . .
C13 C -0.4962(5) 0.2258(5) 1.0450(3) 0.023(2) Uani 1 1 d . . . . .
C14 C -0.4507(5) 0.2789(5) 1.0580(3) 0.024(2) Uani 1 1 d . . . . .
H14A H -0.4131 0.2978 1.0359 0.028 Uiso 1 1 calc R U . . .
C15 C -0.4702(5) 0.3068(5) 1.1055(3) 0.0200(19) Uani 1 1 d . . . . .
H15A H -0.4489 0.3485 1.1219 0.024 Uiso 1 1 calc R U . . .
C21 C 0.0806(6) 0.2695(7) 1.1636(4) 0.031(2) Uani 1 1 d . . . . .
C22 C 0.0559(5) 0.2059(6) 1.1845(4) 0.028(2) Uani 1 1 d . . . . .
H22A H 0.0501 0.1964 1.2212 0.034 Uiso 1 1 calc R U . . .
C23 C 0.0485(6) 0.1548(7) 1.1453(4) 0.035(3) Uani 1 1 d . . . . .
C24 C 0.0697(5) 0.1888(7) 1.1002(4) 0.032(2) Uani 1 1 d . . . . .
H24A H 0.0742 0.1659 1.0666 0.038 Uiso 1 1 calc R U . . .
C25 C 0.0891(5) 0.2571(7) 1.1110(3) 0.027(2) Uani 1 1 d . . . . .
H25A H 0.1094 0.2908 1.0864 0.033 Uiso 1 1 calc R U . . .
C111 C -0.5775(6) 0.2928(6) 1.1666(4) 0.026(2) Uani 1 1 d . . . . .
C112 C -0.6186(6) 0.2308(6) 1.1856(4) 0.034(3) Uani 1 1 d . . . . .
H11A H -0.6481 0.2452 1.2138 0.051 Uiso 1 1 calc R U . . .
H11B H -0.5863 0.1945 1.1970 0.051 Uiso 1 1 calc R U . . .
H11C H -0.6477 0.2125 1.1584 0.051 Uiso 1 1 calc R U . . .
C113 C -0.5349(6) 0.3235(7) 1.2098(4) 0.034(3) Uani 1 1 d . . . . .
H11D H -0.5084 0.3636 1.1976 0.052 Uiso 1 1 calc R U . . .
H11E H -0.5028 0.2881 1.2227 0.052 Uiso 1 1 calc R U . . .
H11F H -0.5662 0.3383 1.2368 0.052 Uiso 1 1 calc R U . . .
C114 C -0.6261(6) 0.3487(7) 1.1453(4) 0.036(3) Uani 1 1 d . . . . .
H11G H -0.5992 0.3908 1.1379 0.054 Uiso 1 1 calc R U . . .
H11H H -0.6622 0.3596 1.1701 0.054 Uiso 1 1 calc R U . . .
H11I H -0.6478 0.3315 1.1144 0.054 Uiso 1 1 calc R U . . .
C131 C -0.5038(6) 0.1920(6) 0.9930(4) 0.027(2) Uani 1 1 d . . . . .
C132 C -0.5582(6) 0.2360(6) 0.9650(4) 0.033(2) Uani 1 1 d . . . . .
H13A H -0.6032 0.2319 0.9821 0.050 Uiso 1 1 calc R U . . .
H13B H -0.5626 0.2192 0.9303 0.050 Uiso 1 1 calc R U . . .
H13C H -0.5435 0.2848 0.9648 0.050 Uiso 1 1 calc R U . . .
C133 C -0.4356(6) 0.1929(7) 0.9645(3) 0.036(3) Uani 1 1 d . . . . .
H13D H -0.4432 0.1759 0.9302 0.054 Uiso 1 1 calc R U . . .
H13E H -0.4019 0.1627 0.9816 0.054 Uiso 1 1 calc R U . . .
H13F H -0.4176 0.2405 0.9633 0.054 Uiso 1 1 calc R U . . .
C134 C -0.5309(7) 0.1175(6) 0.9962(4) 0.033(2) Uani 1 1 d . . . . .
H13G H -0.5722 0.1161 1.0178 0.049 Uiso 1 1 calc R U . . .
H13H H -0.4947 0.0874 1.0104 0.049 Uiso 1 1 calc R U . . .
H13I H -0.5431 0.1010 0.9625 0.049 Uiso 1 1 calc R U . . .
C211 C 0.1083(6) 0.3316(7) 1.1928(4) 0.035(3) Uani 1 1 d . . . . .
C212 C 0.0710(8) 0.3381(8) 1.2432(4) 0.048(3) Uani 1 1 d . . . . .
H21A H 0.0210 0.3443 1.2374 0.072 Uiso 1 1 calc R U . . .
H21B H 0.0893 0.3783 1.2615 0.072 Uiso 1 1 calc R U . . .
H21C H 0.0787 0.2958 1.2630 0.072 Uiso 1 1 calc R U . . .
C213 C 0.1854(8) 0.3174(10) 1.2019(6) 0.063(5) Uani 1 1 d . . . . .
H21D H 0.2067 0.3582 1.2179 0.094 Uiso 1 1 calc R U . . .
H21E H 0.2085 0.3081 1.1698 0.094 Uiso 1 1 calc R U . . .
H21F H 0.1904 0.2770 1.2241 0.094 Uiso 1 1 calc R U . . .
C214 C 0.0987(10) 0.4011(8) 1.1640(5) 0.063(5) Uani 1 1 d . . . . .
H21G H 0.0489 0.4111 1.1604 0.094 Uiso 1 1 calc R U . . .
H21H H 0.1199 0.3973 1.1306 0.094 Uiso 1 1 calc R U . . .
H21I H 0.1211 0.4388 1.1828 0.094 Uiso 1 1 calc R U . . .
C231 C 0.0383(7) 0.0777(7) 1.1541(6) 0.045(3) Uani 1 1 d . . . . .
C232 C -0.0238(8) 0.0623(8) 1.1883(8) 0.068(5) Uani 1 1 d . . . . .
H23A H -0.0176 0.0863 1.2205 0.102 Uiso 1 1 calc R U . . .
H23B H -0.0271 0.0121 1.1941 0.102 Uiso 1 1 calc R U . . .
H23C H -0.0666 0.0788 1.1722 0.102 Uiso 1 1 calc R U . . .
C233 C 0.1039(8) 0.0489(8) 1.1796(6) 0.053(4) Uani 1 1 d . . . . .
H23D H 0.1107 0.0722 1.2120 0.079 Uiso 1 1 calc R U . . .
H23E H 0.1443 0.0573 1.1580 0.079 Uiso 1 1 calc R U . . .
H23F H 0.0984 -0.0012 1.1851 0.079 Uiso 1 1 calc R U . . .
C234 C 0.0260(9) 0.0402(8) 1.1037(6) 0.056(4) Uani 1 1 d . . . . .
H23G H 0.0175 -0.0093 1.1100 0.084 Uiso 1 1 calc R U . . .
H23H H 0.0671 0.0455 1.0823 0.084 Uiso 1 1 calc R U . . .
H23I H -0.0146 0.0605 1.0869 0.084 Uiso 1 1 calc R U . . .
Sb1 Sb -0.20371(4) -0.05201(4) 1.11475(3) 0.02828(15) Uani 1 1 d . . . . .
F11 F -0.1856(4) -0.1417(4) 1.1399(3) 0.0403(16) Uani 1 1 d . . . . .
F12 F -0.2381(4) -0.0868(4) 1.0534(2) 0.0380(16) Uani 1 1 d . . . . .
F13 F -0.2949(3) -0.0565(3) 1.1405(2) 0.0296(13) Uani 1 1 d . . . . .
F14 F -0.1766(4) -0.0141(4) 1.1769(3) 0.0437(18) Uani 1 1 d . . . . .
F15 F -0.2223(4) 0.0387(4) 1.0926(2) 0.0407(16) Uani 1 1 d . . . . .
F16 F -0.1127(4) -0.0485(5) 1.0905(3) 0.056(2) Uani 1 1 d . . . . .
Sb2 Sb 0.07658(5) 0.25507(4) 0.94655(2) 0.03771(19) Uani 1 1 d . . . . .
F21 F 0.1419(5) 0.2201(5) 0.9011(3) 0.062(2) Uani 1 1 d . . . . .
F22 F 0.0099(5) 0.2918(5) 0.9913(3) 0.064(3) Uani 1 1 d . . . . .
F23 F 0.0041(5) 0.2327(5) 0.9026(3) 0.057(2) Uani 1 1 d . . . . .
F24 F 0.0689(7) 0.1682(4) 0.9779(3) 0.078(3) Uani 1 1 d . . . . .
F25 F 0.1447(6) 0.2809(6) 0.9930(3) 0.074(3) Uani 1 1 d . . . . .
F26 F 0.0835(5) 0.3425(4) 0.9155(2) 0.049(2) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 P5 2.456(3) . ?
Ag1 P2 2.465(3) . ?
Ag1 P6 2.485(2) 8_557 ?
Ag2 P3 2.446(3) 3_455 ?
Ag2 P1 2.455(2) . ?
Ag2 P7 2.493(3) 8_557 ?
Ta1 C2 2.104(9) . ?
Ta1 C1 2.131(10) . ?
Ta1 C12 2.373(9) . ?
Ta1 C15 2.381(10) . ?
Ta1 C14 2.382(9) . ?
Ta1 C13 2.389(9) . ?
Ta1 C11 2.395(9) . ?
Ta1 P1 2.595(2) . ?
Ta1 P3 2.606(3) . ?
Ta1 P4 2.635(3) . ?
Ta1 P2 2.663(3) . ?
Ta2 C3 2.115(9) . ?
Ta2 C4 2.121(10) . ?
Ta2 C22 2.354(10) . ?
Ta2 C23 2.377(12) . ?
Ta2 C21 2.390(11) . ?
Ta2 C24 2.393(11) . ?
Ta2 C25 2.407(10) . ?
Ta2 P6 2.591(2) . ?
Ta2 P7 2.606(3) . ?
Ta2 P5 2.609(3) . ?
Ta2 P8 2.681(3) . ?
P1 P2 2.154(3) . ?
P1 P4 2.170(3) . ?
P2 P3 2.149(3) . ?
P3 P4 2.159(3) . ?
P3 Ag2 2.446(2) 4_444 ?
P5 P6 2.146(3) . ?
P5 P8 2.180(4) . ?
P6 P7 2.140(4) . ?
P6 Ag1 2.485(2) 8_557 ?
P7 P8 2.170(4) . ?
P7 Ag2 2.493(3) 8_557 ?
C1 O1 1.126(12) . ?
C2 O2 1.127(11) . ?
C3 O3 1.118(12) . ?
C4 O4 1.121(13) . ?
C11 C12 1.414(14) . ?
C11 C15 1.426(14) . ?
C11 C111 1.539(13) . ?
C12 C13 1.440(13) . ?
C12 H12A 1.0000 . ?
C13 C14 1.389(15) . ?
C13 C131 1.533(13) . ?
C14 C15 1.421(13) . ?
C14 H14A 1.0000 . ?
C15 H15A 1.0000 . ?
C21 C22 1.424(17) . ?
C21 C25 1.428(14) . ?
C21 C211 1.519(17) . ?
C22 C23 1.439(16) . ?
C22 H22A 1.0000 . ?
C23 C24 1.425(17) . ?
C23 C231 1.51(2) . ?
C24 C25 1.395(18) . ?
C24 H24A 1.0000 . ?
C25 H25A 1.0000 . ?
C111 C112 1.517(16) . ?
C111 C113 1.528(15) . ?
C111 C114 1.531(15) . ?
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 C133 1.515(15) . ?
C131 C134 1.526(16) . ?
C131 C132 1.538(15) . ?
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 C212 1.525(16) . ?
C211 C213 1.527(19) . ?
C211 C214 1.55(2) . ?
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 . ?
C231 C232 1.53(2) . ?
C231 C233 1.535(19) . ?
C231 C234 1.54(2) . ?
C232 H23A 0.9800 . ?
C232 H23B 0.9800 . ?
C232 H23C 0.9800 . ?
C233 H23D 0.9800 . ?
C233 H23E 0.9800 . ?
C233 H23F 0.9800 . ?
C234 H23G 0.9800 . ?
C234 H23H 0.9800 . ?
C234 H23I 0.9800 . ?
Sb1 F16 1.866(8) . ?
Sb1 F15 1.875(7) . ?
Sb1 F14 1.880(7) . ?
Sb1 F11 1.882(7) . ?
Sb1 F12 1.882(6) . ?
Sb1 F13 1.883(6) . ?
Sb2 F25 1.866(9) . ?
Sb2 F21 1.868(8) . ?
Sb2 F23 1.869(8) . ?
Sb2 F24 1.872(8) . ?
Sb2 F26 1.877(7) . ?
Sb2 F22 1.885(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
P5 Ag1 P2 127.36(9) . . ?
P5 Ag1 P6 116.68(8) . 8_557 ?
P2 Ag1 P6 103.38(8) . 8_557 ?
P3 Ag2 P1 130.47(9) 3_455 . ?
P3 Ag2 P7 121.05(9) 3_455 8_557 ?
P1 Ag2 P7 106.28(8) . 8_557 ?
C2 Ta1 C1 85.8(4) . . ?
C2 Ta1 C12 124.8(3) . . ?
C1 Ta1 C12 125.1(4) . . ?
C2 Ta1 C15 99.1(4) . . ?
C1 Ta1 C15 75.7(4) . . ?
C12 Ta1 C15 57.0(3) . . ?
C2 Ta1 C14 75.6(4) . . ?
C1 Ta1 C14 99.1(4) . . ?
C12 Ta1 C14 56.9(3) . . ?
C15 Ta1 C14 34.7(3) . . ?
C2 Ta1 C13 89.6(4) . . ?
C1 Ta1 C13 131.5(4) . . ?
C12 Ta1 C13 35.2(3) . . ?
C15 Ta1 C13 57.5(3) . . ?
C14 Ta1 C13 33.8(3) . . ?
C2 Ta1 C11 132.1(4) . . ?
C1 Ta1 C11 90.6(4) . . ?
C12 Ta1 C11 34.5(3) . . ?
C15 Ta1 C11 34.7(3) . . ?
C14 Ta1 C11 57.8(3) . . ?
C13 Ta1 C11 58.4(3) . . ?
C2 Ta1 P1 123.9(3) . . ?
C1 Ta1 P1 76.0(3) . . ?
C12 Ta1 P1 108.6(2) . . ?
C15 Ta1 P1 125.6(2) . . ?
C14 Ta1 P1 158.7(3) . . ?
C13 Ta1 P1 140.8(3) . . ?
C11 Ta1 P1 101.2(2) . . ?
C2 Ta1 P3 76.3(3) . . ?
C1 Ta1 P3 124.1(3) . . ?
C12 Ta1 P3 108.1(3) . . ?
C15 Ta1 P3 158.5(2) . . ?
C14 Ta1 P3 125.5(3) . . ?
C13 Ta1 P3 101.2(3) . . ?
C11 Ta1 P3 139.4(2) . . ?
P1 Ta1 P3 71.84(7) . . ?
C2 Ta1 P4 124.8(3) . . ?
C1 Ta1 P4 124.9(3) . . ?
C12 Ta1 P4 77.3(3) . . ?
C15 Ta1 P4 130.1(2) . . ?
C14 Ta1 P4 130.0(3) . . ?
C13 Ta1 P4 96.7(3) . . ?
C11 Ta1 P4 95.9(2) . . ?
P1 Ta1 P4 49.01(7) . . ?
P3 Ta1 P4 48.64(8) . . ?
C2 Ta1 P2 76.0(3) . . ?
C1 Ta1 P2 76.4(3) . . ?
C12 Ta1 P2 147.6(3) . . ?
C15 Ta1 P2 151.9(2) . . ?
C14 Ta1 P2 151.5(3) . . ?
C13 Ta1 P2 148.2(3) . . ?
C11 Ta1 P2 148.7(2) . . ?
P1 Ta1 P2 48.34(7) . . ?
P3 Ta1 P2 48.13(7) . . ?
P4 Ta1 P2 70.28(8) . . ?
C3 Ta2 C4 88.8(4) . . ?
C3 Ta2 C22 124.8(4) . . ?
C4 Ta2 C22 123.3(4) . . ?
C3 Ta2 C23 89.4(4) . . ?
C4 Ta2 C23 132.0(5) . . ?
C22 Ta2 C23 35.4(4) . . ?
C3 Ta2 C21 131.7(4) . . ?
C4 Ta2 C21 88.4(4) . . ?
C22 Ta2 C21 34.9(4) . . ?
C23 Ta2 C21 58.8(4) . . ?
C3 Ta2 C24 75.5(4) . . ?
C4 Ta2 C24 99.2(4) . . ?
C22 Ta2 C24 57.4(4) . . ?
C23 Ta2 C24 34.8(4) . . ?
C21 Ta2 C24 57.5(4) . . ?
C3 Ta2 C25 98.6(4) . . ?
C4 Ta2 C25 75.4(4) . . ?
C22 Ta2 C25 57.2(4) . . ?
C23 Ta2 C25 57.6(4) . . ?
C21 Ta2 C25 34.6(3) . . ?
C24 Ta2 C25 33.8(4) . . ?
C3 Ta2 P6 125.3(3) . . ?
C4 Ta2 P6 120.8(3) . . ?
C22 Ta2 P6 78.7(3) . . ?
C23 Ta2 P6 98.7(3) . . ?
C21 Ta2 P6 96.8(3) . . ?
C24 Ta2 P6 132.7(3) . . ?
C25 Ta2 P6 131.2(2) . . ?
C3 Ta2 P7 122.9(3) . . ?
C4 Ta2 P7 72.5(3) . . ?
C22 Ta2 P7 110.0(3) . . ?
C23 Ta2 P7 142.5(3) . . ?
C21 Ta2 P7 101.9(3) . . ?
C24 Ta2 P7 158.6(3) . . ?
C25 Ta2 P7 125.7(3) . . ?
P6 Ta2 P7 48.62(8) . . ?
C3 Ta2 P5 76.6(3) . . ?
C4 Ta2 P5 123.4(3) . . ?
C22 Ta2 P5 109.3(3) . . ?
C23 Ta2 P5 102.5(3) . . ?
C21 Ta2 P5 140.6(3) . . ?
C24 Ta2 P5 127.6(3) . . ?
C25 Ta2 P5 159.9(3) . . ?
P6 Ta2 P5 48.74(8) . . ?
P7 Ta2 P5 71.21(9) . . ?
C3 Ta2 P8 74.9(3) . . ?
C4 Ta2 P8 74.8(3) . . ?
C22 Ta2 P8 149.9(3) . . ?
C23 Ta2 P8 149.3(3) . . ?
C21 Ta2 P8 148.9(3) . . ?
C24 Ta2 P8 149.8(3) . . ?
C25 Ta2 P8 149.6(3) . . ?
P6 Ta2 P8 71.20(8) . . ?
P7 Ta2 P8 48.45(8) . . ?
P5 Ta2 P8 48.66(8) . . ?
P2 P1 P4 89.71(12) . . ?
P2 P1 Ag2 118.72(12) . . ?
P4 P1 Ag2 138.62(13) . . ?
P2 P1 Ta1 67.47(9) . . ?
P4 P1 Ta1 66.45(9) . . ?
Ag2 P1 Ta1 149.68(11) . . ?
P3 P2 P1 90.32(13) . . ?
P3 P2 Ag1 137.56(13) . . ?
P1 P2 Ag1 132.04(12) . . ?
P3 P2 Ta1 64.54(9) . . ?
P1 P2 Ta1 64.18(9) . . ?
Ag1 P2 Ta1 125.67(11) . . ?
P2 P3 P4 90.13(13) . . ?
P2 P3 Ag2 128.23(13) . 4_444 ?
P4 P3 Ag2 127.28(13) . 4_444 ?
P2 P3 Ta1 67.33(10) . . ?
P4 P3 Ta1 66.38(10) . . ?
Ag2 P3 Ta1 153.68(11) 4_444 . ?
P3 P4 P1 89.66(13) . . ?
P3 P4 Ta1 64.97(10) . . ?
P1 P4 Ta1 64.55(9) . . ?
P6 P5 P8 90.39(14) . . ?
P6 P5 Ag1 110.68(12) . . ?
P8 P5 Ag1 130.61(15) . . ?
P6 P5 Ta2 65.19(9) . . ?
P8 P5 Ta2 67.38(10) . . ?
Ag1 P5 Ta2 162.00(13) . . ?
P7 P6 P5 90.23(13) . . ?
P7 P6 Ag1 121.32(13) . 8_557 ?
P5 P6 Ag1 132.57(13) . 8_557 ?
P7 P6 Ta2 66.05(10) . . ?
P5 P6 Ta2 66.07(9) . . ?
Ag1 P6 Ta2 155.79(12) 8_557 . ?
P6 P7 P8 90.83(14) . . ?
P6 P7 Ag2 131.64(13) . 8_557 ?
P8 P7 Ag2 130.47(14) . 8_557 ?
P6 P7 Ta2 65.33(10) . . ?
P8 P7 Ta2 67.57(10) . . ?
Ag2 P7 Ta2 145.37(12) 8_557 . ?
P7 P8 P5 88.53(14) . . ?
P7 P8 Ta2 63.98(10) . . ?
P5 P8 Ta2 63.97(10) . . ?
O1 C1 Ta1 176.6(10) . . ?
O2 C2 Ta1 178.6(8) . . ?
O3 C3 Ta2 178.0(11) . . ?
O4 C4 Ta2 175.8(9) . . ?
C12 C11 C15 106.0(8) . . ?
C12 C11 C111 126.7(9) . . ?
C15 C11 C111 125.8(9) . . ?
C12 C11 Ta1 71.9(5) . . ?
C15 C11 Ta1 72.1(6) . . ?
C111 C11 Ta1 131.7(6) . . ?
C11 C12 C13 109.8(9) . . ?
C11 C12 Ta1 73.6(6) . . ?
C13 C12 Ta1 73.0(5) . . ?
C11 C12 H12A 125.0 . . ?
C13 C12 H12A 125.0 . . ?
Ta1 C12 H12A 125.0 . . ?
C14 C13 C12 106.3(8) . . ?
C14 C13 C131 126.7(9) . . ?
C12 C13 C131 125.3(9) . . ?
C14 C13 Ta1 72.8(5) . . ?
C12 C13 Ta1 71.8(5) . . ?
C131 C13 Ta1 131.5(7) . . ?
C13 C14 C15 109.5(8) . . ?
C13 C14 Ta1 73.3(5) . . ?
C15 C14 Ta1 72.6(5) . . ?
C13 C14 H14A 125.1 . . ?
C15 C14 H14A 125.1 . . ?
Ta1 C14 H14A 125.1 . . ?
C14 C15 C11 108.4(9) . . ?
C14 C15 Ta1 72.7(6) . . ?
C11 C15 Ta1 73.2(6) . . ?
C14 C15 H15A 125.6 . . ?
C11 C15 H15A 125.6 . . ?
Ta1 C15 H15A 125.6 . . ?
C22 C21 C25 106.0(11) . . ?
C22 C21 C211 126.4(9) . . ?
C25 C21 C211 126.2(11) . . ?
C22 C21 Ta2 71.2(6) . . ?
C25 C21 Ta2 73.3(6) . . ?
C211 C21 Ta2 130.9(8) . . ?
C21 C22 C23 109.7(9) . . ?
C21 C22 Ta2 73.9(6) . . ?
C23 C22 Ta2 73.2(6) . . ?
C21 C22 H22A 125.0 . . ?
C23 C22 H22A 125.0 . . ?
Ta2 C22 H22A 125.0 . . ?
C24 C23 C22 105.6(10) . . ?
C24 C23 C231 128.1(11) . . ?
C22 C23 C231 124.7(11) . . ?
C24 C23 Ta2 73.2(7) . . ?
C22 C23 Ta2 71.4(6) . . ?
C231 C23 Ta2 131.4(8) . . ?
C25 C24 C23 109.5(9) . . ?
C25 C24 Ta2 73.6(6) . . ?
C23 C24 Ta2 72.0(6) . . ?
C25 C24 H24A 125.1 . . ?
C23 C24 H24A 125.1 . . ?
Ta2 C24 H24A 125.1 . . ?
C24 C25 C21 109.2(10) . . ?
C24 C25 Ta2 72.6(6) . . ?
C21 C25 Ta2 72.0(6) . . ?
C24 C25 H25A 125.3 . . ?
C21 C25 H25A 125.3 . . ?
Ta2 C25 H25A 125.3 . . ?
C112 C111 C113 109.4(9) . . ?
C112 C111 C114 111.0(10) . . ?
C113 C111 C114 109.5(9) . . ?
C112 C111 C11 109.8(9) . . ?
C113 C111 C11 111.0(9) . . ?
C114 C111 C11 106.2(8) . . ?
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 . . ?
C133 C131 C134 109.5(10) . . ?
C133 C131 C13 111.3(9) . . ?
C134 C131 C13 112.4(8) . . ?
C133 C131 C132 109.9(9) . . ?
C134 C131 C132 108.1(9) . . ?
C13 C131 C132 105.5(9) . . ?
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 . . ?
C21 C211 C212 110.4(10) . . ?
C21 C211 C213 106.3(11) . . ?
C212 C211 C213 109.3(11) . . ?
C21 C211 C214 112.6(9) . . ?
C212 C211 C214 107.9(13) . . ?
C213 C211 C214 110.3(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 . . ?
C23 C231 C232 112.5(11) . . ?
C23 C231 C233 108.4(11) . . ?
C232 C231 C233 108.0(13) . . ?
C23 C231 C234 110.1(12) . . ?
C232 C231 C234 107.8(13) . . ?
C233 C231 C234 110.0(12) . . ?
C231 C232 H23A 109.5 . . ?
C231 C232 H23B 109.5 . . ?
H23A C232 H23B 109.5 . . ?
C231 C232 H23C 109.5 . . ?
H23A C232 H23C 109.5 . . ?
H23B C232 H23C 109.5 . . ?
C231 C233 H23D 109.5 . . ?
C231 C233 H23E 109.5 . . ?
H23D C233 H23E 109.5 . . ?
C231 C233 H23F 109.5 . . ?
H23D C233 H23F 109.5 . . ?
H23E C233 H23F 109.5 . . ?
C231 C234 H23G 109.5 . . ?
C231 C234 H23H 109.5 . . ?
H23G C234 H23H 109.5 . . ?
C231 C234 H23I 109.5 . . ?
H23G C234 H23I 109.5 . . ?
H23H C234 H23I 109.5 . . ?
F16 Sb1 F15 92.1(4) . . ?
F16 Sb1 F14 91.7(4) . . ?
F15 Sb1 F14 88.2(3) . . ?
F16 Sb1 F11 89.0(4) . . ?
F15 Sb1 F11 177.5(3) . . ?
F14 Sb1 F11 89.5(3) . . ?
F16 Sb1 F12 92.5(3) . . ?
F15 Sb1 F12 89.5(3) . . ?
F14 Sb1 F12 175.3(3) . . ?
F11 Sb1 F12 92.7(3) . . ?
F16 Sb1 F13 178.8(3) . . ?
F15 Sb1 F13 88.8(3) . . ?
F14 Sb1 F13 87.5(3) . . ?
F11 Sb1 F13 90.1(3) . . ?
F12 Sb1 F13 88.4(3) . . ?
F25 Sb2 F21 93.0(5) . . ?
F25 Sb2 F23 176.2(4) . . ?
F21 Sb2 F23 90.8(4) . . ?
F25 Sb2 F24 89.9(5) . . ?
F21 Sb2 F24 91.1(4) . . ?
F23 Sb2 F24 90.9(5) . . ?
F25 Sb2 F26 90.1(4) . . ?
F21 Sb2 F26 89.4(4) . . ?
F23 Sb2 F26 89.0(4) . . ?
F24 Sb2 F26 179.5(5) . . ?
F25 Sb2 F22 87.7(5) . . ?
F21 Sb2 F22 178.6(4) . . ?
F23 Sb2 F22 88.5(4) . . ?
F24 Sb2 F22 90.0(4) . . ?
F26 Sb2 F22 89.5(4) . . ?

_refine_diff_density_max         1.100
_refine_diff_density_min         -1.216
_refine_diff_density_rms         0.130


_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Oxygen-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_082
_database_code_depnum_ccdc_archive 'CCDC 2009906'
loop_
_audit_author_name
_audit_author_address
'Eugenia Peresypkina'
;University of Regensburg
Germany
;
_audit_update_record             
;
2020-06-15 deposited with the CCDC.	2020-08-10 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT201_082                 
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) .......         23 Report
RESPONSE: The crystal underwent radiation damage during the experiment. Some
          light atoms are either partly occupied or cannot be properly refined
          in the anisotropic approximation.  
;
_vrf_PLAT307_082                 
;
PROBLEM: Isolated Metal Atom found in Structure (Unusual)       Sb5L Check 
RESPONSE: The F atoms were not localized for this minor position of the severely
          disordered SbF6- anion (0.02). The applied in other cases rigid body 
          refimenemt did allow to refine this anion. Therefore Sb atom alone
          was left in this position for the sake of charge balance
;
_vrf_PLAT973_082                 
;
PROBLEM: Check Calcd Positive Resid. Density on       Ta6       2.94 eA-3  
RESPONSE: The crystal underwent radiation damage during the experiment. The
          intencities of the reflections are affected by this process.
;
_vrf_PLAT974_082                 
;
PROBLEM: Check Calcd Negative Resid. Density on      Sb2D      -5.21 eA-3  
RESPONSE: The crystal underwent radiation damage during the experiment. The
          intencities of the reflections are affected by this process.     
;
_vrf_PLAT029_082                 
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low .      0.942 Why?  
RESPONSE: The crystal underwent radiation damage during the experiment. The
          dataset was scrutinized for the best quality-to-completeness ratio,
          which required to discard the most affected farmes.   
;
_vrf_PLAT241_082                 
;
PROBLEM: High   'MainMol' Ueq as Compared to Neighbors of       C12L Check 
RESPONSE: The atom belongs to a flexible dinitrile linker, and due to objective
          reasons (disorder, radiation damage) could not be split into separate 
          disorder positions
;
_vrf_PLAT242_082                 
;
PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of       C211 Check 
RESPONSE: The tert-carbon (pivot) atom belonging to a disordered by rotation 
        t-Bu group. The disorder was taken into account with a.d.p. parameters, 
        as it could not be split into separate disorder positions due to the 
        dataset quality. Therefore the difference in the Ueq is large for a 
        pivot and rotated atoms                                                  

;
_vrf_PLAT315_082                 
;
PROBLEM: Singly Bonded Carbon Detected (H-atoms Missing).        C6C Check 
RESPONSE: The atom belongs to a carbonyl group and is bonded to Ta and O atoms
;
_vrf_PLAT342_082                 
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02676 Ang.  
RESPONSE: The crystal underwent radiation damage during the experiment.
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'P4 Se3, C160.5 H231 Ag8 N9 O16 P32 Ta8, 8(Sb F6), 3.75(C H 2 Cl2)'
_chemical_formula_structural     
'(P4 Se3)@[{(C13 H21) Ta P4 (C O)2}8 Ag8 (N C(C H2)7 C N)4.5] * 3.75(C H2 Cl2)'
_chemical_formula_sum            
'C164.25 H238.50 Ag8 Cl7.50 F48 N9 O16 P36 Sb8 Se3 Ta8'
_chemical_formula_weight         8409.36

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0032 0.0015 '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 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0108 0.0057 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0167 0.0096 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.0990 0.0908 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1417 0.1507 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.9460 1.0391 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.6595 1.4077 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ta Ta -0.4905 6.2552 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0043 2.1896 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -z'

_cell_length_a                   17.95491(12)
_cell_length_b                   22.56350(18)
_cell_length_c                   38.3495(4)
_cell_angle_alpha                81.1581(7)
_cell_angle_beta                 78.4160(7)
_cell_angle_gamma                73.7720(7)
_cell_volume                     14534.6(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    80(2)
_cell_measurement_reflns_used    60540
_cell_measurement_theta_min      1.7900
_cell_measurement_theta_max      31.3510

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.921
_exptl_crystal_F_000             7969
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    4.542
_shelx_estimated_absorpt_T_min   0.464
_shelx_estimated_absorpt_T_max   0.549
_exptl_absorpt_correction_T_min  0.69126
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.21a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.062
_oxdiff_exptl_absorpt_empirical_full_max 15.463
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- B-factor correction
;

_diffrn_ambient_temperature      80(2)
_diffrn_radiation_wavelength     0.6888
_diffrn_source                   synchrotron
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_monochromator  synchrotron
_diffrn_measurement_device       'one-circle goniostat'
_diffrn_measurement_device_type  
'P11 beamline, PETRA III, DESY, Dectris PILATUS 6M'
_diffrn_measurement_method       'φ scans'
_diffrn_detector                 'pixel array detector'
_diffrn_detector_type            'Dectris PILATUS 6M'
_diffrn_detector_area_resol_mean 5.814
_diffrn_reflns_number            144092
_diffrn_reflns_av_unetI/netI     0.0453
_diffrn_reflns_av_R_equivalents  0.0680
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_theta_min         1.491
_diffrn_reflns_theta_max         24.835
_diffrn_reflns_theta_full        24.500
_diffrn_measured_fraction_theta_max 0.940
_diffrn_measured_fraction_theta_full 0.942
_diffrn_reflns_Laue_measured_fraction_max 0.940
_diffrn_reflns_Laue_measured_fraction_full 0.942
_diffrn_reflns_point_group_measured_fraction_max 0.940
_diffrn_reflns_point_group_measured_fraction_full 0.942
_reflns_number_total             51920
_reflns_number_gt                43562
_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       'CrysAlisPro 1.171.41.21a (Rigaku OD, 2019)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.21a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.41.21a (Rigaku OD, 2019)'
_computing_structure_solution    'SHELXT-2018/5 (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)+(0.1970P)²+22.2318P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         51920
_refine_ls_number_parameters     2830
_refine_ls_number_restraints     127
_refine_ls_R_factor_all          0.0954
_refine_ls_R_factor_gt           0.0895
_refine_ls_wR_factor_ref         0.2874
_refine_ls_wR_factor_gt          0.2777
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_restrained_S_all      1.085
_refine_ls_shift/su_max          0.001
_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
Se2 Se 0.73548(10) 0.15894(8) 0.25400(5) 0.1072(4) Uani 1 1 d . . . . .
Se3 Se 0.75245(10) 0.30856(7) 0.24756(5) 0.1081(4) Uani 1 1 d . . . . .
Se1 Se 0.92078(10) 0.18641(8) 0.24379(5) 0.1066(5) Uani 0.8 1 d . U P A 1
P1I P 0.8103(3) 0.2233(3) 0.21806(16) 0.1066(5) Uani 0.8 1 d . . P A 1
P2I P 0.7512(3) 0.1761(3) 0.30542(16) 0.1066(5) Uani 0.8 1 d . . P A 1
P3I P 0.7624(3) 0.2705(3) 0.30244(16) 0.1066(5) Uani 0.8 1 d . . P A 1
P4I P 0.86266(16) 0.19083(11) 0.30472(8) 0.1066(5) Uani 0.8 1 d . U P A 1
P11I P 0.7306(9) 0.2253(5) 0.2978(4) 0.0767(12) Uani 0.2 1 d . . P A 2
P12I P 0.8490(9) 0.2540(5) 0.2179(4) 0.0767(12) Uani 0.2 1 d . . P A 2
P13I P 0.8437(9) 0.1585(5) 0.2251(4) 0.0767(12) Uani 0.2 1 d . . P A 2
P14I P 0.92078(10) 0.18641(8) 0.24379(5) 0.0767(12) Uani 0.2 1 d . U P A 2
Se1I Se 0.86266(16) 0.19083(11) 0.30472(8) 0.0767(12) Uani 0.2 1 d . U P A 2
Ta1 Ta 0.97655(3) 0.42938(2) 0.27874(2) 0.08272(14) Uani 1 1 d . . . . .
Ta2 Ta 0.738(2) 0.4622(15) 0.1131(8) 0.1100(2) Uani 0.5 1 d . . P B 1
C3C C 0.821(2) 0.4060(16) 0.0792(9) 0.104(9) Uiso 0.55 1 d . . P B 1
O3C O 0.881(3) 0.3750(14) 0.0626(16) 0.125(8) Uani 0.55 1 d . . P B 1
C4C C 0.801(2) 0.5117(16) 0.1261(9) 0.100(6) Uiso 0.5 1 d . . P B 1
O4C O 0.8439(14) 0.5364(11) 0.1370(7) 0.105(6) Uiso 0.5 1 d . . P B 1
Ta2A Ta 0.738(2) 0.4621(15) 0.1131(8) 0.1100(2) Uani 0.5 1 d . . P B 2
C3CC C 0.844(2) 0.4156(15) 0.0790(8) 0.081(7) Uiso 0.45 1 d . . P B 2
O3CC O 0.892(5) 0.393(2) 0.060(2) 0.125(8) Uani 0.45 1 d . . P B 2
C4CC C 0.829(2) 0.5180(17) 0.1196(10) 0.100(6) Uiso 0.5 1 d . . P B 2
O4CC O 0.8614(18) 0.5440(14) 0.1197(9) 0.126(8) Uiso 0.5 1 d . . P B 2
C21 C 0.6532(12) 0.4768(6) 0.0700(5) 0.162(10) Uani 1 1 d DG . . . .
C22 C 0.6078(9) 0.5065(8) 0.1003(5) 0.165(10) Uani 1 1 d G . . B .
H22 H 0.564370 0.495043 0.115642 0.197 Uiso 1 1 calc R U . C 1
C23 C 0.6387(13) 0.5564(7) 0.1037(5) 0.160(9) Uani 1 1 d G . . B .
C24 C 0.7032(12) 0.5576(7) 0.0755(6) 0.207(15) Uani 1 1 d G . . B .
H24 H 0.734853 0.586198 0.071250 0.249 Uiso 1 1 calc R U . D 1
C25 C 0.7121(11) 0.5083(9) 0.0547(4) 0.148(9) Uani 1 1 d G . . B .
H25 H 0.750786 0.498263 0.034109 0.178 Uiso 1 1 calc R U . E 1
C211 C 0.6299(15) 0.4268(10) 0.0533(6) 0.148 Uiso 1 1 d D U . . .
C212 C 0.585(2) 0.4670(14) 0.0235(10) 0.225(10) Uani 1 1 d D . . . .
H21D H 0.536204 0.494948 0.034530 0.337 Uiso 1 1 calc R U . . .
H21E H 0.617853 0.491575 0.007848 0.337 Uiso 1 1 calc R U . . .
H21F H 0.571494 0.439847 0.009371 0.337 Uiso 1 1 calc R U . . .
C213 C 0.694(2) 0.3928(15) 0.0315(10) 0.225(10) Uani 1 1 d . . . . .
H21A H 0.716801 0.421043 0.013342 0.337 Uiso 1 1 calc R U . . .
H21B H 0.733017 0.368330 0.045979 0.337 Uiso 1 1 calc R U . . .
H21C H 0.675931 0.364818 0.019659 0.337 Uiso 1 1 calc R U . . .
C214 C 0.591(2) 0.3860(15) 0.0822(11) 0.225(10) Uani 1 1 d . . . . .
H21G H 0.546275 0.412127 0.096869 0.337 Uiso 1 1 calc R U . . .
H21H H 0.571810 0.358042 0.070993 0.337 Uiso 1 1 calc R U . . .
H21I H 0.628896 0.361554 0.097312 0.337 Uiso 1 1 calc R U . . .
C231 C 0.6079(19) 0.6113(17) 0.1352(10) 0.189(11) Uiso 1 1 d D . . . .
C232 C 0.548(2) 0.5823(16) 0.1607(9) 0.193(7) Uiso 1 1 d . . . . .
H23K H 0.514069 0.571108 0.146935 0.289 Uiso 1 1 calc R U . . .
H23L H 0.575055 0.544912 0.174325 0.289 Uiso 1 1 calc R U . . .
H23M H 0.515143 0.612107 0.177288 0.289 Uiso 1 1 calc R U . . .
C234 C 0.535(2) 0.6517(17) 0.1038(9) 0.193(7) Uiso 1 1 d . . . . .
H23D H 0.561153 0.675314 0.083718 0.289 Uiso 1 1 calc R U . . .
H23E H 0.517533 0.620638 0.094782 0.289 Uiso 1 1 calc R U . . .
H23F H 0.490163 0.680003 0.116790 0.289 Uiso 1 1 calc R U . . .
C233 C 0.6772(19) 0.6391(17) 0.1373(10) 0.193(7) Uiso 1 1 d D . . F 1
H23A H 0.700392 0.652872 0.113053 0.289 Uiso 1 1 calc R U . F 1
H23B H 0.657417 0.674526 0.151492 0.289 Uiso 1 1 calc R U . F 1
H23C H 0.717329 0.607332 0.148529 0.289 Uiso 1 1 calc R U . F 1
Ta3 Ta 1.10038(3) 0.17014(3) 0.10581(2) 0.08793(16) Uani 1 1 d . . . . .
Ta4 Ta 0.73128(3) 0.04560(3) 0.13103(2) 0.08228(14) Uani 1 1 d . . . . .
Ta5 Ta 0.48427(3) 0.47492(2) 0.32900(2) 0.08408(15) Uani 1 1 d . . . . .
Ta6 Ta 0.72117(2) 0.21307(2) 0.45570(2) 0.06641(12) Uani 1 1 d . . . . .
Ta7 Ta 0.49293(2) 0.06682(2) 0.35401(2) 0.07447(13) Uani 1 1 d . . . . .
Ta8 Ta 0.95706(3) -0.09154(2) 0.30364(2) 0.07443(13) Uani 1 1 d . . . . .
Ag1 Ag 0.71580(7) 0.50312(5) 0.23745(3) 0.0985(3) Uani 1 1 d . . . . .
Ag2 Ag 0.96394(6) 0.36004(5) 0.16738(3) 0.0929(3) Uani 1 1 d . . . . .
Ag3 Ag 0.80563(6) 0.23596(5) 0.12316(3) 0.0944(3) Uani 1 1 d . . . . .
Ag4 Ag 0.97138(6) 0.02595(5) 0.18445(3) 0.0875(2) Uani 1 1 d . . . . .
Ag5 Ag 0.72066(5) -0.02355(4) 0.26145(3) 0.0830(2) Uani 1 1 d . . . . .
Ag6 Ag 0.74732(5) 0.39023(4) 0.36237(3) 0.0818(2) Uani 1 1 d . . . . .
Ag7 Ag 0.54903(5) 0.26123(4) 0.36169(3) 0.0818(2) Uani 1 1 d . . . . .
Ag8 Ag 0.76403(5) 0.05413(4) 0.37706(2) 0.0760(2) Uani 1 1 d . . . . .
P1 P 0.9568(2) 0.31781(15) 0.28335(11) 0.0900(8) Uani 1 1 d . . . . .
P2 P 0.8590(2) 0.38372(16) 0.30996(10) 0.0874(8) Uani 1 1 d . . . . .
P3 P 0.9428(2) 0.37193(15) 0.23267(10) 0.0872(8) Uani 1 1 d . . . . .
P4 P 0.8416(2) 0.43597(17) 0.25880(10) 0.0901(8) Uani 1 1 d . . . . .
P5 P 0.7221(3) 0.4553(2) 0.18188(12) 0.1058(11) Uani 1 1 d . . . . .
P6 P 0.8244(2) 0.38923(16) 0.15763(10) 0.0916(8) Uani 1 1 d . . . . .
P7 P 0.7509(2) 0.34575(18) 0.13818(11) 0.0976(9) Uani 1 1 d . . . . .
P8 P 0.6478(3) 0.4095(3) 0.16452(15) 0.1213(14) Uani 1 1 d . . . . .
P9 P 1.0192(2) 0.25494(18) 0.14719(11) 0.0935(9) Uani 1 1 d . . . . .
P10 P 1.0870(2) 0.17479(18) 0.17509(10) 0.0916(8) Uani 1 1 d . . . . .
P11 P 1.02060(19) 0.11895(17) 0.16074(10) 0.0874(8) Uani 1 1 d . . . . .
P12 P 0.94946(19) 0.20033(17) 0.13429(10) 0.0871(8) Uani 1 1 d . . . . .
P13 P 0.7557(2) 0.14377(17) 0.15077(10) 0.0893(8) Uani 1 1 d . . . . .
P14 P 0.8318(2) 0.05823(17) 0.16960(10) 0.0901(8) Uani 1 1 d . . . . .
P15 P 0.7309(2) 0.02869(19) 0.19956(9) 0.0926(9) Uani 1 1 d . . . . .
P16 P 0.6547(2) 0.11612(19) 0.18253(10) 0.0936(9) Uani 1 1 d . . . . .
P17 P 0.6087(2) 0.46751(15) 0.28014(10) 0.0885(8) Uani 1 1 d . . . . .
P18 P 0.63154(19) 0.41800(14) 0.33047(9) 0.0824(7) Uani 1 1 d . . . . .
P19 P 0.56252(19) 0.35835(13) 0.32281(10) 0.0831(7) Uani 1 1 d . . . . .
P20 P 0.5365(2) 0.41037(16) 0.27206(10) 0.0922(9) Uani 1 1 d . . . . .
P21 P 0.74323(17) 0.28998(13) 0.39905(8) 0.0769(6) Uani 1 1 d . . . . .
P22 P 0.66888(16) 0.23205(13) 0.39398(8) 0.0737(6) Uani 1 1 d . . . . .
P23 P 0.76480(16) 0.15084(13) 0.39990(8) 0.0742(6) Uani 1 1 d . . . . .
P24 P 0.84091(17) 0.20856(14) 0.40264(8) 0.0773(6) Uani 1 1 d . . . . .
P25 P 0.54979(16) 0.16453(13) 0.33797(8) 0.0754(6) Uani 1 1 d . . . . .
P26 P 0.53370(18) 0.12802(15) 0.29198(9) 0.0822(7) Uani 1 1 d . . . . .
P27 P 0.61803(18) 0.04320(15) 0.30471(10) 0.0855(8) Uani 1 1 d . . . . .
P28 P 0.63684(16) 0.08045(14) 0.35016(10) 0.0806(7) Uani 1 1 d . . . . .
P29 P 0.86853(16) 0.01087(13) 0.32769(8) 0.0736(6) Uani 1 1 d . . . . .
P30 P 0.84050(17) -0.00589(16) 0.27909(8) 0.0816(7) Uani 1 1 d . . . . .
P31 P 0.95552(17) -0.00259(14) 0.25134(8) 0.0764(6) Uani 1 1 d . . . . .
P32 P 0.98281(17) 0.01909(13) 0.29982(8) 0.0759(6) Uani 1 1 d . . . . .
C1C C 0.9757(11) 0.4908(8) 0.2307(5) 0.109(4) Uani 1 1 d . . . . .
O1C O 0.9716(8) 0.5223(5) 0.2056(3) 0.114(3) Uani 1 1 d . . . . .
C2C C 0.8907(11) 0.5026(7) 0.3053(4) 0.102(4) Uani 1 1 d . . . . .
O2C O 0.8458(9) 0.5385(5) 0.3200(4) 0.127(4) Uani 1 1 d . . . . .
C5C C 1.0511(9) 0.2396(9) 0.0678(4) 0.106(4) Uani 1 1 d . . . . .
O5C O 1.0190(7) 0.2771(7) 0.0479(4) 0.134(4) Uani 1 1 d . . . . .
C6C C 1.0538(9) 0.1088(9) 0.0845(4) 0.109(5) Uani 1 1 d . . . . .
O6C O 1.028(3) 0.0677(17) 0.0792(14) 0.111(11) Uani 0.575 1 d . . P . .
O6D O 1.029(5) 0.090(3) 0.069(2) 0.111(11) Uani 0.425 1 d . . P . .
C7C C 0.8228(10) 0.0700(8) 0.0908(5) 0.107(4) Uani 1 1 d . . . . .
O7C O 0.8663(6) 0.0829(6) 0.0700(3) 0.109(3) Uani 1 1 d . . . . .
C8C C 0.8038(8) -0.0432(7) 0.1384(5) 0.100(4) Uani 1 1 d . . . . .
O8C O 0.8468(8) -0.0904(6) 0.1422(4) 0.137(5) Uani 1 1 d . . . . .
C9C C 0.4908(9) 0.4360(7) 0.3829(4) 0.094(3) Uani 1 1 d . . . . .
O9C O 0.4924(8) 0.4178(5) 0.4112(3) 0.111(3) Uani 1 1 d . . . . .
C10C C 0.3983(8) 0.4289(6) 0.3299(5) 0.099(4) Uani 1 1 d . . . . .
O10C O 0.3523(6) 0.4002(5) 0.3302(4) 0.120(4) Uani 1 1 d . . . . .
C11C C 0.6198(7) 0.2879(5) 0.4620(4) 0.082(3) Uani 1 1 d . . . . .
O11C O 0.5652(5) 0.3260(4) 0.4665(3) 0.094(2) Uani 1 1 d . . . . .
C12C C 0.6464(6) 0.1537(5) 0.4635(3) 0.071(2) Uani 1 1 d . . . . .
O12C O 0.6083(5) 0.1199(4) 0.4667(2) 0.086(2) Uani 1 1 d . . . . .
C13C C 0.4888(7) 0.1009(6) 0.4023(3) 0.080(3) Uani 1 1 d . . . . .
O13C O 0.4843(5) 0.1206(5) 0.4284(3) 0.097(2) Uani 1 1 d . . . . .
C14C C 0.5588(8) -0.0190(7) 0.3732(5) 0.100(4) Uani 1 1 d . . . . .
O14C O 0.5994(7) -0.0667(5) 0.3829(4) 0.117(4) Uani 1 1 d . . . . .
C15C C 0.8509(10) -0.1110(8) 0.3333(4) 0.102(4) Uani 1 1 d . . . . .
O15C O 0.7950(8) -0.1209(7) 0.3478(3) 0.119(4) Uani 1 1 d . . . . .
C16C C 0.9380(9) -0.1284(7) 0.2593(4) 0.095(3) Uani 1 1 d . . . . .
O16C O 0.9278(8) -0.1439(5) 0.2351(3) 0.116(3) Uani 1 1 d . . . . .
N11L N 0.7306(9) 0.5972(7) 0.2274(5) 0.130(5) Uani 1 1 d . . . . .
C11L C 0.7451(13) 0.6401(10) 0.2209(8) 0.152(9) Uani 1 1 d . . . . .
C12L C 0.7708(18) 0.7016(11) 0.2035(13) 0.219(19) Uani 1 1 d . . . . .
H12A H 0.727777 0.729268 0.191632 0.263 Uiso 1 1 calc R U . . .
H12B H 0.776603 0.723150 0.223063 0.263 Uiso 1 1 calc R U . . .
C13L C 0.8463(16) 0.6927(11) 0.1766(10) 0.182(13) Uani 1 1 d D . . . .
H13A H 0.842851 0.657191 0.165230 0.218 Uiso 1 1 calc R U . G 1
H13B H 0.885180 0.673875 0.192787 0.218 Uiso 1 1 calc R U . G 1
C14L C 0.898(6) 0.723(7) 0.1456(15) 0.21(7) Uiso 0.2 1 d D . P H 1
H14A H 0.916687 0.695204 0.126176 0.247 Uiso 0.2 1 calc R U P H 1
H14B H 0.864997 0.762562 0.135911 0.247 Uiso 0.2 1 calc R U P H 1
C14M C 0.8822(18) 0.7478(15) 0.1721(12) 0.185(13) Uiso 0.8 1 d D . P H 2
H14C H 0.853172 0.781582 0.156369 0.222 Uiso 0.8 1 calc R U P H 2
H14D H 0.873900 0.763109 0.195830 0.222 Uiso 0.8 1 calc R U P H 2
C15L C 0.9686(19) 0.7350(12) 0.1569(12) 0.25(2) Uani 1 1 d D . . . .
H15B H 0.957561 0.736116 0.183149 0.301 Uiso 0.2 1 calc R U P H 1
H15C H 1.014393 0.699247 0.151541 0.301 Uiso 0.2 1 calc R U P H 1
H15D H 0.977966 0.723361 0.132205 0.301 Uiso 0.8 1 calc R U P H 2
H15E H 0.998928 0.700290 0.171667 0.301 Uiso 0.8 1 calc R U P H 2
C16L C 0.992(2) 0.7937(16) 0.1399(14) 0.141(14) Uiso 0.55 1 d D . P H 1
H16A H 0.957062 0.830024 0.151525 0.170 Uiso 0.55 1 calc R U P H 1
H16B H 0.988489 0.800486 0.114101 0.170 Uiso 0.55 1 calc R U P H 1
C16M C 0.995(2) 0.7934(15) 0.1567(11) 0.107(10) Uiso 0.45 1 d D . P H 2
H16C H 1.026623 0.787674 0.175813 0.128 Uiso 0.45 1 calc R U P H 2
H16D H 0.947873 0.828589 0.161676 0.128 Uiso 0.45 1 calc R U P H 2
C17L C 1.078(2) 0.786(2) 0.1448(13) 0.148(13) Uiso 0.55 1 d D . P H 1
H17A H 1.081563 0.765522 0.169420 0.178 Uiso 0.55 1 calc R U P H 1
H17B H 1.110897 0.754771 0.128582 0.178 Uiso 0.55 1 calc R U P H 1
C17M C 1.043(4) 0.808(3) 0.1205(12) 0.19(3) Uiso 0.45 1 d D . P H 2
H17C H 1.007607 0.835255 0.104426 0.230 Uiso 0.45 1 calc R U P H 2
H17D H 1.069723 0.769297 0.109389 0.230 Uiso 0.45 1 calc R U P H 2
C18L C 1.114(4) 0.8277(17) 0.141(2) 0.200 Uiso 0.55 1 d D U P H 1
H18A H 1.142635 0.829727 0.116018 0.240 Uiso 0.55 1 calc R U P H 1
H18B H 1.153509 0.815057 0.156969 0.240 Uiso 0.55 1 calc R U P H 1
C18M C 1.105(2) 0.8410(19) 0.1243(13) 0.143(16) Uiso 0.45 1 d D . P H 2
H18C H 1.128066 0.857897 0.100508 0.171 Uiso 0.45 1 calc R U P H 2
H18D H 1.147797 0.811263 0.135492 0.171 Uiso 0.45 1 calc R U P H 2
C19L C 1.0635(14) 0.8940(11) 0.1481(6) 0.144(7) Uani 1 1 d D . . . .
N12L N 1.0336(10) 0.9382(7) 0.1586(4) 0.123(5) Uani 1 1 d . . . . .
N21L N 1.0293(10) 0.4259(8) 0.1333(5) 0.128(5) Uani 1 1 d D . . . .
C21L C 1.0649(17) 0.4562(12) 0.1151(8) 0.171(11) Uani 1 1 d D . . . .
C24L C 1.1363(15) 0.5992(10) 0.0651(7) 0.171 Uiso 1 1 d D U . . .
H24E H 1.190878 0.596880 0.052715 0.205 Uiso 0.52 1 calc R U P I 2
H24F H 1.115508 0.570061 0.055301 0.205 Uiso 0.52 1 calc R U P I 2
H24C H 1.176886 0.597004 0.079622 0.205 Uiso 0.48 1 calc R U P J 1
H24D H 1.162681 0.584478 0.041552 0.205 Uiso 0.48 1 calc R U P J 1
C25L C 1.0841(19) 0.6659(12) 0.0603(8) 0.227(16) Uiso 1 1 d D . . . .
H25C H 1.029823 0.666198 0.072444 0.273 Uiso 0.52 1 calc R U P K 2
H25D H 1.103303 0.692857 0.072569 0.273 Uiso 0.52 1 calc R U P K 2
H25A H 1.035920 0.665046 0.051784 0.273 Uiso 0.48 1 calc R U P L 1
H25B H 1.067879 0.682836 0.083809 0.273 Uiso 0.48 1 calc R U P L 1
C22L C 1.123(2) 0.4956(16) 0.0994(14) 0.147(15) Uiso 0.48 1 d D . P M 1
H22A H 1.151578 0.500056 0.118131 0.176 Uiso 0.48 1 calc R U P M 1
H22B H 1.162736 0.475137 0.079917 0.176 Uiso 0.48 1 calc R U P M 1
C23L C 1.078(2) 0.5592(16) 0.0848(14) 0.150 Uiso 0.48 1 d D U P M 1
H23G H 1.042452 0.580895 0.104707 0.180 Uiso 0.48 1 calc R U P M 1
H23H H 1.045991 0.554194 0.067861 0.180 Uiso 0.48 1 calc R U P M 1
C26L C 1.127(2) 0.7088(15) 0.0336(13) 0.150 Uiso 0.48 1 d D U P N 1
H26A H 1.150271 0.689988 0.010955 0.180 Uiso 0.48 1 calc R U P N 1
H26B H 1.168470 0.717596 0.043773 0.180 Uiso 0.48 1 calc R U P N 1
C27L C 1.060(2) 0.7688(16) 0.0275(10) 0.150 Uiso 0.48 1 d D U P N 1
H27A H 1.014101 0.758475 0.021975 0.180 Uiso 0.48 1 calc R U P N 1
H27B H 1.043381 0.791233 0.049202 0.180 Uiso 0.48 1 calc R U P N 1
C28L C 1.095(3) 0.8088(13) -0.0043(9) 0.150 Uiso 0.48 1 d D U P N 1
H28J H 1.130741 0.829293 0.003383 0.180 Uiso 0.48 1 calc R U P N 1
H28K H 1.053267 0.841143 -0.014430 0.180 Uiso 0.48 1 calc R U P N 1
C22M C 1.059(3) 0.5202(13) 0.0937(10) 0.150 Uiso 0.52 1 d D U P M 2
H22C H 1.013334 0.530709 0.081043 0.180 Uiso 0.52 1 calc R U P M 2
H22D H 1.106954 0.518531 0.075481 0.180 Uiso 0.52 1 calc R U P M 2
C23M C 1.050(2) 0.572(2) 0.1181(10) 0.150 Uiso 0.52 1 d D U P M 2
H23I H 1.038836 0.557079 0.143818 0.180 Uiso 0.52 1 calc R U P M 2
H23J H 1.007802 0.609445 0.112421 0.180 Uiso 0.52 1 calc R U P M 2
C24M C 1.133(2) 0.5832(19) 0.1068(8) 0.150 Uiso 0.52 1 d D U P M 2
H24A H 1.174957 0.545578 0.112594 0.180 Uiso 0.52 1 calc R U P M 2
H24B H 1.138342 0.618255 0.118082 0.180 Uiso 0.52 1 calc R U P M 2
C26M C 1.081(2) 0.6941(18) 0.0214(8) 0.148(14) Uiso 0.52 1 d D . P N 2
H26C H 1.101254 0.660198 0.005613 0.177 Uiso 0.52 1 calc R U P N 2
H26D H 1.025730 0.713861 0.018769 0.177 Uiso 0.52 1 calc R U P N 2
C27M C 1.129(3) 0.742(2) 0.0088(7) 0.159(16) Uiso 0.52 1 d D . P N 2
H27C H 1.181132 0.725069 0.016367 0.191 Uiso 0.52 1 calc R U P N 2
H27D H 1.102203 0.779488 0.021476 0.191 Uiso 0.52 1 calc R U P N 2
C29L C 1.1423(15) 0.7630(13) -0.0323(5) 0.161(9) Uani 1 1 d D . . . .
N22L N 1.1671(9) 0.7596(6) -0.0630(4) 0.112(4) Uani 1 1 d . . . . .
N31L N 0.7095(8) -0.1206(6) 0.2762(4) 0.102(3) Uani 1 1 d . . . . .
C31L C 0.6986(9) -0.1679(7) 0.2916(4) 0.098(4) Uani 1 1 d . . . . .
C32L C 0.6914(13) -0.2258(7) 0.3125(5) 0.116(5) Uani 1 1 d . . . . .
H32B H 0.705347 -0.258832 0.296254 0.139 Uiso 1 1 calc R U . . .
H32C H 0.636021 -0.221467 0.324142 0.139 Uiso 1 1 calc R U . . .
C33L C 0.7416(11) -0.2444(7) 0.3397(5) 0.113(5) Uani 1 1 d . . . . .
H33A H 0.722351 -0.214533 0.357949 0.136 Uiso 1 1 calc R U . . .
H33B H 0.795609 -0.242268 0.328519 0.136 Uiso 1 1 calc R U . . .
C34L C 0.7444(13) -0.3087(8) 0.3580(6) 0.129(6) Uani 1 1 d . . . . .
H34B H 0.760794 -0.338568 0.339729 0.154 Uiso 1 1 calc R U . . .
H34C H 0.691067 -0.310394 0.370593 0.154 Uiso 1 1 calc R U . . .
C35L C 0.8029(12) -0.3283(8) 0.3854(6) 0.130(6) Uani 1 1 d . . . . .
H35B H 0.787516 -0.297351 0.403035 0.155 Uiso 1 1 calc R U . . .
H35C H 0.856391 -0.327793 0.372568 0.155 Uiso 1 1 calc R U . . .
C36L C 0.8052(11) -0.3953(9) 0.4063(6) 0.115(5) Uani 1 1 d . . . . .
H36A H 0.814968 -0.423616 0.387621 0.138 Uiso 1 1 calc R U . . .
H36B H 0.852980 -0.407225 0.417558 0.138 Uiso 1 1 calc R U . . .
C37L C 0.751(2) -0.4097(12) 0.4301(7) 0.179(13) Uani 1 1 d . . . . .
H37A H 0.701971 -0.394602 0.419876 0.215 Uiso 1 1 calc R U . O 1
H37B H 0.744791 -0.384790 0.450127 0.215 Uiso 1 1 calc R U . O 1
C38L C 0.754(2) -0.4730(13) 0.4459(6) 0.108(9) Uani 0.6 1 d . . P P 1
H38A H 0.709849 -0.472984 0.465848 0.130 Uiso 0.6 1 calc R U P P 1
H38B H 0.803887 -0.490683 0.455667 0.130 Uiso 0.6 1 calc R U P P 1
C38M C 0.801(4) -0.478(3) 0.446(2) 0.14(2) Uiso 0.4 1 d . . P P 2
H38C H 0.787297 -0.487655 0.471844 0.171 Uiso 0.4 1 calc R U P P 2
H38D H 0.858720 -0.485802 0.438036 0.171 Uiso 0.4 1 calc R U P P 2
C39L C 0.7503(12) -0.5130(9) 0.4179(5) 0.121(5) Uani 1 1 d . . . . .
N32L N 0.7508(7) -0.5406(5) 0.3977(3) 0.090(3) Uani 1 1 d . . . . .
N41L N 0.4518(7) 0.2837(5) 0.4107(4) 0.096(3) Uani 1 1 d . . . . .
C41L C 0.4173(9) 0.2914(8) 0.4377(5) 0.106(4) Uani 1 1 d D . . . .
C42L C 0.374(2) 0.2965(18) 0.4740(10) 0.147(9) Uiso 0.7 1 d D . P Q 1
H42A H 0.340515 0.339310 0.476307 0.177 Uiso 0.7 1 calc R U P Q 1
H42B H 0.410842 0.286693 0.491326 0.177 Uiso 0.7 1 calc R U P Q 1
C42M C 0.349(3) 0.303(4) 0.4695(14) 0.147(9) Uiso 0.3 1 d D . P Q 2
H42C H 0.357320 0.330421 0.485648 0.177 Uiso 0.3 1 calc R U P Q 2
H42D H 0.341402 0.264096 0.483398 0.177 Uiso 0.3 1 calc R U P Q 2
C45L C 0.1847(10) 0.3089(10) 0.5061(6) 0.129(6) Uani 1 1 d D . . . .
H45B H 0.176369 0.298960 0.483125 0.154 Uiso 0.7 1 calc R U P R 1
H45C H 0.192795 0.351190 0.501945 0.154 Uiso 0.7 1 calc R U P R 1
H45D H 0.216624 0.265538 0.509647 0.154 Uiso 0.3 1 calc R U P S 2
H45E H 0.211366 0.334257 0.515645 0.154 Uiso 0.3 1 calc R U P S 2
C46L C 0.1098(12) 0.3105(11) 0.5327(7) 0.159 Uiso 1 1 d D U . . .
H46A H 0.092839 0.272748 0.531783 0.191 Uiso 1 1 calc R U . . .
H46B H 0.121718 0.308807 0.557024 0.191 Uiso 1 1 calc R U . . .
C47L C 0.0420(15) 0.3663(12) 0.5273(7) 0.160 Uiso 1 1 d D U . . .
H47A H 0.056598 0.402310 0.533242 0.192 Uiso 0.7 1 calc R U P T 1
H47B H -0.003036 0.359937 0.545800 0.192 Uiso 0.7 1 calc R U P T 1
H47C H 0.028168 0.387265 0.549465 0.192 Uiso 0.3 1 calc R U P U 2
H47D H -0.003245 0.350102 0.526163 0.192 Uiso 0.3 1 calc R U P U 2
C43L C 0.3210(14) 0.2493(11) 0.4820(7) 0.117(7) Uani 0.7 1 d D . P Q 1
H43A H 0.296999 0.250131 0.460801 0.140 Uiso 0.7 1 calc R U P Q 1
H43B H 0.353777 0.206745 0.487178 0.140 Uiso 0.7 1 calc R U P Q 1
C44L C 0.2552(14) 0.2671(17) 0.5148(7) 0.131(9) Uani 0.7 1 d . . P Q 1
H44A H 0.242681 0.228674 0.527728 0.157 Uiso 0.7 1 calc R U P Q 1
H44B H 0.275769 0.285878 0.531242 0.157 Uiso 0.7 1 calc R U P Q 1
C48L C 0.011(2) 0.3866(14) 0.4925(8) 0.144 Uiso 0.7 1 d D U P V 1
H48A H -0.023522 0.358519 0.493228 0.157 Uiso 0.7 1 calc R U P V 1
H48B H 0.057374 0.371508 0.474410 0.157 Uiso 0.7 1 calc R U P V 1
C49L C -0.0333(16) 0.4474(14) 0.4730(9) 0.150 Uiso 0.7 1 d D U P V 1
C43M C 0.281(4) 0.336(4) 0.4490(17) 0.165 Uiso 0.3 1 d D U P Q 2
H43C H 0.276358 0.381332 0.446332 0.180 Uiso 0.3 1 calc R U P Q 2
H43D H 0.295152 0.322558 0.424620 0.180 Uiso 0.3 1 calc R U P Q 2
C44M C 0.200(4) 0.326(5) 0.4654(9) 0.165 Uiso 0.3 1 d D U P Q 2
H44C H 0.192142 0.292297 0.453696 0.180 Uiso 0.3 1 calc R U P Q 2
H44D H 0.159568 0.364115 0.459382 0.180 Uiso 0.3 1 calc R U P Q 2
C48M C 0.045(2) 0.417(3) 0.4962(18) 0.150 Uiso 0.3 1 d D U P V 2
H48C H 0.076721 0.400445 0.473806 0.180 Uiso 0.3 1 calc R U P V 2
H48D H 0.064810 0.450790 0.501786 0.180 Uiso 0.3 1 calc R U P V 2
C49M C -0.0433(18) 0.4363(16) 0.4955(10) 0.078(8) Uiso 0.3 1 d D . P V 2
N42L N -0.0945(12) 0.4689(10) 0.4859(6) 0.150 Uiso 1 1 d D U . . .
N51L N 0.7366(6) -0.0176(5) 0.4230(3) 0.090(3) Uani 1 1 d . . . . .
C51L C 0.7156(8) -0.0508(7) 0.4447(4) 0.090(3) Uani 1 1 d . . . . .
C52L C 0.6937(16) -0.1041(13) 0.4662(8) 0.090(6) Uiso 0.525 1 d . . P W 1
H52B H 0.739041 -0.141152 0.464452 0.109 Uiso 0.525 1 calc R U P W 1
H52C H 0.650051 -0.113069 0.457475 0.109 Uiso 0.525 1 calc R U P W 1
C53L C 0.6680(18) -0.0889(14) 0.5050(9) 0.089(6) Uiso 0.475 1 d . . P W 1
H53A H 0.647611 -0.122699 0.519955 0.107 Uiso 0.475 1 calc R U P W 1
H53B H 0.713353 -0.084818 0.514568 0.107 Uiso 0.475 1 calc R U P W 1
C54L C 0.6105(8) -0.0345(8) 0.5058(4) 0.101(4) Uani 1 1 d . . . . .
H54B H 0.635868 -0.002322 0.492200 0.121 Uiso 1 1 calc R U . W 1
H54E H 0.597711 -0.025178 0.531063 0.121 Uiso 1 1 calc R U . W 1
C55L C 0.5313(8) -0.0222(7) 0.4931(4) 0.099(4) Uani 1 1 d . . . . .
H55B H 0.540540 -0.011664 0.466854 0.119 Uiso 1 1 calc R U . . .
H55C H 0.515722 -0.061767 0.497627 0.119 Uiso 1 1 calc R U . . .
C56L C 0.6857(19) -0.0812(16) 0.4829(10) 0.100(7) Uiso 0.5 1 d . . P W 3
H56A H 0.729669 -0.094482 0.496734 0.120 Uiso 0.5 1 calc R U P W 3
H56B H 0.670259 -0.118824 0.480082 0.120 Uiso 0.5 1 calc R U P W 3
C11 C 1.0526(8) 0.4012(8) 0.3263(4) 0.102(4) Uani 1 1 d . . . . .
C12 C 1.0952(8) 0.3618(8) 0.2986(4) 0.099(4) Uani 1 1 d . . . . .
H12E H 1.109331 0.315369 0.301298 0.118 Uiso 1 1 calc R U . . .
C13 C 1.1160(8) 0.4008(10) 0.2666(4) 0.111(5) Uani 1 1 d . . . . .
C14 C 1.0942(10) 0.4611(9) 0.2742(5) 0.110(5) Uani 1 1 d . . . . .
H14E H 1.108009 0.496636 0.257629 0.132 Uiso 1 1 calc R U . . .
C15 C 1.0614(12) 0.4638(9) 0.3081(6) 0.121(6) Uani 1 1 d . . . . .
H15A H 1.044822 0.502573 0.320313 0.145 Uiso 1 1 calc R U . . .
C111 C 1.0316(9) 0.3830(9) 0.3656(4) 0.110(5) Uani 1 1 d . . . . .
C112 C 0.9662(12) 0.4324(12) 0.3836(5) 0.138(7) Uani 1 1 d . . . . .
H11A H 0.954259 0.418876 0.409113 0.206 Uiso 1 1 calc R U . . .
H11B H 0.982652 0.471092 0.380574 0.206 Uiso 1 1 calc R U . . .
H11C H 0.919172 0.439488 0.372628 0.206 Uiso 1 1 calc R U . . .
C113 C 1.1072(11) 0.3704(10) 0.3824(5) 0.119(5) Uani 1 1 d . . . . .
H11D H 1.095172 0.358353 0.408195 0.179 Uiso 1 1 calc R U . . .
H11E H 1.147922 0.336716 0.371219 0.179 Uiso 1 1 calc R U . . .
H11F H 1.126029 0.408016 0.378496 0.179 Uiso 1 1 calc R U . . .
C114 C 1.0059(11) 0.3233(9) 0.3710(5) 0.120(5) Uani 1 1 d . . . . .
H11G H 0.992132 0.311276 0.396657 0.180 Uiso 1 1 calc R U . . .
H11H H 0.959934 0.329529 0.359417 0.180 Uiso 1 1 calc R U . . .
H11I H 1.048947 0.290359 0.360386 0.180 Uiso 1 1 calc R U . . .
C131 C 1.1741(10) 0.3707(10) 0.2339(5) 0.118(5) Uani 1 1 d . . . . .
C132 C 1.2572(9) 0.3627(14) 0.2452(7) 0.156(9) Uani 1 1 d . . . . .
H13C H 1.255661 0.345626 0.270369 0.235 Uiso 1 1 calc R U . . .
H13D H 1.269221 0.403157 0.242046 0.235 Uiso 1 1 calc R U . . .
H13E H 1.298028 0.334317 0.230177 0.235 Uiso 1 1 calc R U . . .
C133 C 1.1584(14) 0.3050(11) 0.2315(6) 0.147(7) Uani 1 1 d . . . . .
H13F H 1.194282 0.285563 0.211231 0.220 Uiso 1 1 calc R U . . .
H13G H 1.167283 0.278051 0.253707 0.220 Uiso 1 1 calc R U . . .
H13H H 1.103879 0.311364 0.228196 0.220 Uiso 1 1 calc R U . . .
C134 C 1.1572(16) 0.4180(16) 0.1999(6) 0.169(10) Uani 1 1 d . . . . .
H13I H 1.192278 0.401199 0.178627 0.254 Uiso 1 1 calc R U . . .
H13J H 1.102378 0.424628 0.196968 0.254 Uiso 1 1 calc R U . . .
H13K H 1.166398 0.457600 0.202890 0.254 Uiso 1 1 calc R U . . .
C31 C 1.2212(9) 0.2021(8) 0.0888(5) 0.107(4) Uani 1 1 d . . . . .
C32 C 1.2336(7) 0.1494(7) 0.1151(4) 0.094(3) Uani 1 1 d . . . . .
H32A H 1.248340 0.150481 0.138762 0.113 Uiso 1 1 calc R U . . .
C33 C 1.2257(8) 0.0949(8) 0.1037(5) 0.102(4) Uani 1 1 d . . . . .
C34 C 1.2124(8) 0.1139(12) 0.0672(4) 0.121(6) Uani 1 1 d . . . . .
H34A H 1.209541 0.085159 0.050415 0.145 Uiso 1 1 calc R U . . .
C35 C 1.2053(9) 0.1776(11) 0.0582(5) 0.115(5) Uani 1 1 d . . . . .
H35A H 1.200058 0.200596 0.033990 0.138 Uiso 1 1 calc R U . . .
C311 C 1.2396(10) 0.2632(9) 0.0882(6) 0.124(6) Uani 1 1 d . . . . .
C312 C 1.1896(16) 0.3139(11) 0.0649(9) 0.179(12) Uani 1 1 d . . . . .
H31A H 1.202899 0.353277 0.064691 0.268 Uiso 1 1 calc R U . . .
H31B H 1.133753 0.318581 0.074769 0.268 Uiso 1 1 calc R U . . .
H31C H 1.200177 0.302406 0.040458 0.268 Uiso 1 1 calc R U . . .
C313 C 1.3278(11) 0.2486(11) 0.0758(7) 0.146(8) Uani 1 1 d . . . . .
H31D H 1.345168 0.286880 0.072617 0.218 Uiso 1 1 calc R U . . .
H31E H 1.341005 0.230514 0.052971 0.218 Uiso 1 1 calc R U . . .
H31F H 1.354400 0.218984 0.093740 0.218 Uiso 1 1 calc R U . . .
C314 C 1.2187(11) 0.2844(12) 0.1270(6) 0.135(6) Uani 1 1 d . . . . .
H31G H 1.232026 0.323860 0.126340 0.202 Uiso 1 1 calc R U . . .
H31H H 1.248688 0.252825 0.143013 0.202 Uiso 1 1 calc R U . . .
H31I H 1.162261 0.289803 0.135728 0.202 Uiso 1 1 calc R U . . .
C331 C 1.2501(9) 0.0312(8) 0.1188(6) 0.111(5) Uani 1 1 d . . . . .
C332 C 1.2072(12) -0.0142(10) 0.1088(7) 0.145(8) Uani 1 1 d . . . . .
H33C H 1.227345 -0.056126 0.120190 0.217 Uiso 1 1 calc R U . . .
H33D H 1.150474 -0.000051 0.117257 0.217 Uiso 1 1 calc R U . . .
H33E H 1.216885 -0.014826 0.082783 0.217 Uiso 1 1 calc R U . . .
C333 C 1.3362(10) 0.0051(10) 0.1082(6) 0.134(6) Uani 1 1 d . . . . .
H33F H 1.351119 -0.037999 0.118792 0.201 Uiso 1 1 calc R U . . .
H33G H 1.349225 0.006528 0.082048 0.201 Uiso 1 1 calc R U . . .
H33H H 1.364861 0.029636 0.116699 0.201 Uiso 1 1 calc R U . . .
C334 C 1.2292(13) 0.0297(9) 0.1602(6) 0.130(6) Uani 1 1 d . . . . .
H33I H 1.245337 -0.013178 0.171051 0.194 Uiso 1 1 calc R U . . .
H33J H 1.256814 0.055276 0.168500 0.194 Uiso 1 1 calc R U . . .
H33K H 1.172334 0.045962 0.167137 0.194 Uiso 1 1 calc R U . . .
C41 C 0.6317(8) -0.0037(8) 0.1257(4) 0.100(4) Uani 1 1 d . . . . .
C42 C 0.5977(8) 0.0627(9) 0.1252(4) 0.109(5) Uani 1 1 d . . . . .
H42E H 0.551575 0.083124 0.142503 0.131 Uiso 1 1 calc R U . . .
C43 C 0.6315(8) 0.0924(9) 0.0949(4) 0.100(4) Uani 1 1 d . . . . .
C44 C 0.6879(8) 0.0504(8) 0.0753(4) 0.103(4) Uani 1 1 d . . . . .
H44E H 0.717766 0.060473 0.051107 0.123 Uiso 1 1 calc R U . . .
C45 C 0.6928(9) -0.0143(8) 0.0941(4) 0.104(4) Uani 1 1 d . . . . .
H45A H 0.723314 -0.054766 0.084906 0.125 Uiso 1 1 calc R U . . .
C411 C 0.6012(8) -0.0544(8) 0.1492(4) 0.103(4) Uani 1 1 d D . . . .
C414 C 0.5607(15) -0.0386(12) 0.1860(6) 0.157(8) Uiso 1 1 d D . . . .
H41A H 0.529063 0.004565 0.184620 0.236 Uiso 1 1 calc R U . . .
H41B H 0.526338 -0.066172 0.195986 0.236 Uiso 1 1 calc R U . . .
H41C H 0.600037 -0.043812 0.201322 0.236 Uiso 1 1 calc R U . . .
C412 C 0.6688(16) -0.1134(14) 0.1578(9) 0.123(5) Uiso 0.6 1 d D . P X 1
H41D H 0.700197 -0.128453 0.135372 0.184 Uiso 0.6 1 calc R U P X 1
H41E H 0.702648 -0.102487 0.171569 0.184 Uiso 0.6 1 calc R U P X 1
H41F H 0.645801 -0.146027 0.171802 0.184 Uiso 0.6 1 calc R U P X 1
C413 C 0.5511(18) -0.0784(15) 0.1298(8) 0.123(5) Uiso 0.6 1 d D . P X 1
H41G H 0.579929 -0.088083 0.105976 0.184 Uiso 0.6 1 calc R U P X 1
H41H H 0.539036 -0.115930 0.143509 0.184 Uiso 0.6 1 calc R U P X 1
H41I H 0.501931 -0.046501 0.127477 0.184 Uiso 0.6 1 calc R U P X 1
C415 C 0.516(3) -0.046(2) 0.1321(11) 0.123(5) Uiso 0.4 1 d D . P X 2
H41J H 0.477619 -0.006734 0.138755 0.184 Uiso 0.4 1 calc R U P X 2
H41K H 0.527929 -0.044222 0.105915 0.184 Uiso 0.4 1 calc R U P X 2
H41L H 0.492756 -0.080547 0.141835 0.184 Uiso 0.4 1 calc R U P X 2
C416 C 0.648(2) -0.106(2) 0.1393(12) 0.123(5) Uiso 0.4 1 d D . P X 2
H41M H 0.665083 -0.102025 0.113328 0.184 Uiso 0.4 1 calc R U P X 2
H41N H 0.694327 -0.117029 0.151248 0.184 Uiso 0.4 1 calc R U P X 2
H41O H 0.620629 -0.139390 0.145912 0.184 Uiso 0.4 1 calc R U P X 2
C431 C 0.5987(10) 0.1610(10) 0.0802(5) 0.117(5) Uani 1 1 d . . . . .
C432 C 0.5394(11) 0.1604(13) 0.0591(6) 0.154(9) Uani 1 1 d . . . . .
H43N H 0.493408 0.150958 0.075152 0.230 Uiso 1 1 calc R U . . .
H43O H 0.561612 0.128685 0.042413 0.230 Uiso 1 1 calc R U . . .
H43P H 0.523598 0.201178 0.045646 0.230 Uiso 1 1 calc R U . . .
C433 C 0.5645(12) 0.2019(10) 0.1092(6) 0.137(7) Uani 1 1 d . . . . .
H43G H 0.605260 0.201191 0.122961 0.205 Uiso 1 1 calc R U . . .
H43E H 0.521822 0.187100 0.125099 0.205 Uiso 1 1 calc R U . . .
H43F H 0.543607 0.244379 0.098851 0.205 Uiso 1 1 calc R U . . .
C434 C 0.6704(11) 0.1860(12) 0.0535(5) 0.139(7) Uani 1 1 d . . . . .
H43J H 0.718141 0.172074 0.064418 0.208 Uiso 1 1 calc R U . . .
H43H H 0.655091 0.231473 0.049956 0.208 Uiso 1 1 calc R U . . .
H43I H 0.680522 0.169369 0.030420 0.208 Uiso 1 1 calc R U . . .
C51 C 0.4818(9) 0.5766(6) 0.3424(5) 0.099(4) Uani 1 1 d . . . . .
C52 C 0.4684(8) 0.5815(5) 0.3072(4) 0.094(4) Uani 1 1 d . . . . .
H52A H 0.501630 0.597474 0.285611 0.113 Uiso 1 1 calc R U . . .
C53 C 0.3964(8) 0.5677(6) 0.3069(5) 0.101(4) Uani 1 1 d . . . . .
C54 C 0.3650(10) 0.5519(7) 0.3425(6) 0.121(6) Uani 1 1 d . . . . .
H54A H 0.311749 0.544245 0.351133 0.145 Uiso 1 1 calc R U . . .
C55 C 0.4165(10) 0.5592(6) 0.3646(5) 0.108(5) Uani 1 1 d . . . . .
H55A H 0.405949 0.555905 0.391302 0.130 Uiso 1 1 calc R U . . .
C511 C 0.5481(11) 0.5961(7) 0.3550(5) 0.114(5) Uani 1 1 d . . . . .
C512 C 0.5550(13) 0.5641(10) 0.3953(6) 0.134(6) Uani 1 1 d . . . . .
H51B H 0.502837 0.572746 0.410183 0.201 Uiso 1 1 calc R U . . .
H51C H 0.576277 0.519097 0.394954 0.201 Uiso 1 1 calc R U . . .
H51D H 0.590221 0.580883 0.405149 0.201 Uiso 1 1 calc R U . . .
C513 C 0.6210(9) 0.5880(7) 0.3287(6) 0.118(6) Uani 1 1 d . . . . .
H51E H 0.643566 0.543745 0.325994 0.177 Uiso 1 1 calc R U . . .
H51F H 0.609395 0.610303 0.305582 0.177 Uiso 1 1 calc R U . . .
H51G H 0.658708 0.604515 0.336933 0.177 Uiso 1 1 calc R U . . .
C514 C 0.5138(11) 0.6668(9) 0.3587(7) 0.142(8) Uani 1 1 d . . . . .
H51H H 0.465007 0.673148 0.376132 0.213 Uiso 1 1 calc R U . . .
H51I H 0.552025 0.682902 0.366748 0.213 Uiso 1 1 calc R U . . .
H51J H 0.502712 0.688690 0.335398 0.213 Uiso 1 1 calc R U . . .
C531 C 0.3597(13) 0.5812(8) 0.2713(8) 0.136(8) Uani 1 1 d . . . . .
C532 C 0.4162(15) 0.5781(10) 0.2384(6) 0.138(7) Uani 1 1 d . . . . .
H53C H 0.449710 0.535648 0.237233 0.207 Uiso 1 1 calc R U . . .
H53D H 0.388185 0.589804 0.217867 0.207 Uiso 1 1 calc R U . . .
H53E H 0.448822 0.606641 0.237705 0.207 Uiso 1 1 calc R U . . .
C533 C 0.3045(12) 0.6461(8) 0.2754(7) 0.142(8) Uani 1 1 d . . . . .
H53F H 0.267784 0.645400 0.297995 0.213 Uiso 1 1 calc R U . . .
H53G H 0.335508 0.675669 0.275247 0.213 Uiso 1 1 calc R U . . .
H53H H 0.274872 0.658832 0.255409 0.213 Uiso 1 1 calc R U . . .
C534 C 0.3010(17) 0.5331(13) 0.2785(9) 0.187(13) Uani 1 1 d . . . . .
H53I H 0.265642 0.539388 0.301428 0.281 Uiso 1 1 calc R U . . .
H53J H 0.269881 0.541571 0.259182 0.281 Uiso 1 1 calc R U . . .
H53K H 0.333067 0.490041 0.279114 0.281 Uiso 1 1 calc R U . . .
C61 C 0.7933(6) 0.1453(5) 0.4989(3) 0.071(2) Uani 1 1 d . . . . .
C62 C 0.8294(6) 0.1951(5) 0.4865(3) 0.070(2) Uani 1 1 d . . . . .
H62A H 0.885549 0.190545 0.474821 0.084 Uiso 1 1 calc R U . . .
C63 C 0.7749(6) 0.2521(4) 0.4966(3) 0.066(2) Uani 1 1 d . . . . .
C64 C 0.7081(7) 0.2372(5) 0.5153(3) 0.081(3) Uani 1 1 d . . . . .
H64A H 0.661828 0.267325 0.527592 0.097 Uiso 1 1 calc R U . . .
C65 C 0.7164(6) 0.1724(5) 0.5178(3) 0.074(2) Uani 1 1 d . . . . .
H65A H 0.678291 0.149446 0.532092 0.089 Uiso 1 1 calc R U . . .
C611 C 0.8340(6) 0.0766(5) 0.5010(3) 0.076(3) Uani 1 1 d . . . . .
C612 C 0.7764(8) 0.0375(6) 0.5062(5) 0.098(4) Uani 1 1 d . . . . .
H61A H 0.804447 -0.006516 0.509072 0.147 Uiso 1 1 calc R U . . .
H61B H 0.749832 0.045758 0.485368 0.147 Uiso 1 1 calc R U . . .
H61C H 0.737271 0.047704 0.527728 0.147 Uiso 1 1 calc R U . . .
C613 C 0.8936(7) 0.0615(5) 0.4659(3) 0.082(3) Uani 1 1 d . . . . .
H61D H 0.924152 0.018116 0.468553 0.123 Uiso 1 1 calc R U . . .
H61E H 0.929182 0.088769 0.461237 0.123 Uiso 1 1 calc R U . . .
H61F H 0.864866 0.068044 0.445845 0.123 Uiso 1 1 calc R U . . .
C614 C 0.8805(8) 0.0621(6) 0.5307(4) 0.093(3) Uani 1 1 d . . . . .
H61G H 0.908517 0.017984 0.532326 0.140 Uiso 1 1 calc R U . . .
H61H H 0.845093 0.071461 0.553279 0.140 Uiso 1 1 calc R U . . .
H61I H 0.918658 0.087274 0.525982 0.140 Uiso 1 1 calc R U . . .
C631 C 0.7965(8) 0.3140(5) 0.4945(4) 0.083(3) Uani 1 1 d . . . . .
C632 C 0.8592(7) 0.3229(5) 0.4612(3) 0.083(3) Uani 1 1 d . . . . .
H63A H 0.871942 0.362449 0.460967 0.124 Uiso 1 1 calc R U . . .
H63B H 0.838430 0.323011 0.439428 0.124 Uiso 1 1 calc R U . . .
H63C H 0.906826 0.288814 0.462213 0.124 Uiso 1 1 calc R U . . .
C633 C 0.8305(9) 0.3109(6) 0.5287(3) 0.089(3) Uani 1 1 d . . . . .
H63D H 0.836629 0.351821 0.531103 0.134 Uiso 1 1 calc R U . . .
H63E H 0.881901 0.280565 0.527295 0.134 Uiso 1 1 calc R U . . .
H63F H 0.794671 0.298269 0.549588 0.134 Uiso 1 1 calc R U . . .
C634 C 0.7209(9) 0.3684(5) 0.4944(4) 0.093(3) Uani 1 1 d . . . . .
H63G H 0.735337 0.407998 0.490289 0.139 Uiso 1 1 calc R U . . .
H63H H 0.686213 0.365995 0.517544 0.139 Uiso 1 1 calc R U . . .
H63I H 0.693444 0.365509 0.475305 0.139 Uiso 1 1 calc R U . . .
C71 C 0.3552(6) 0.1105(6) 0.3561(3) 0.078(3) Uani 1 1 d . . . . .
C72 C 0.3821(6) 0.0804(6) 0.3250(3) 0.078(3) Uani 1 1 d . . . . .
H72A H 0.377380 0.100565 0.300149 0.094 Uiso 1 1 calc R U . . .
C73 C 0.4095(6) 0.0158(6) 0.3346(3) 0.082(3) Uani 1 1 d . . . . .
C74 C 0.3980(7) 0.0065(7) 0.3732(4) 0.088(3) Uani 1 1 d . . . . .
H74A H 0.405998 -0.034362 0.388194 0.106 Uiso 1 1 calc R U . . .
C75 C 0.3630(6) 0.0657(7) 0.3858(3) 0.086(3) Uani 1 1 d . . . . .
H75A H 0.342805 0.073544 0.411371 0.103 Uiso 1 1 calc R U . . .
C711 C 0.3066(6) 0.1795(6) 0.3575(3) 0.082(3) Uani 1 1 d . . . . .
C712 C 0.2206(7) 0.1823(7) 0.3540(4) 0.100(4) Uani 1 1 d . . . . .
H71A H 0.220355 0.168934 0.330909 0.150 Uiso 1 1 calc R U . . .
H71B H 0.188030 0.224966 0.355499 0.150 Uiso 1 1 calc R U . . .
H71C H 0.199438 0.154804 0.373414 0.150 Uiso 1 1 calc R U . . .
C713 C 0.3402(8) 0.2231(6) 0.3267(5) 0.105(4) Uani 1 1 d . . . . .
H71D H 0.325473 0.265319 0.333737 0.158 Uiso 1 1 calc R U . . .
H71E H 0.318707 0.223234 0.305101 0.158 Uiso 1 1 calc R U . . .
H71F H 0.397682 0.208230 0.321739 0.158 Uiso 1 1 calc R U . . .
C714 C 0.3048(7) 0.2033(8) 0.3938(4) 0.098(4) Uani 1 1 d . . . . .
H71G H 0.284241 0.248512 0.392082 0.148 Uiso 1 1 calc R U . . .
H71H H 0.358246 0.192082 0.399447 0.148 Uiso 1 1 calc R U . . .
H71I H 0.270875 0.184188 0.412854 0.148 Uiso 1 1 calc R U . . .
C731 C 0.4291(8) -0.0361(7) 0.3101(4) 0.091(3) Uani 1 1 d . . . . .
C732 C 0.3490(11) -0.0375(8) 0.3009(5) 0.113(5) Uani 1 1 d . . . . .
H73G H 0.328218 0.000844 0.286227 0.170 Uiso 1 1 calc R U . . .
H73H H 0.311635 -0.040999 0.323142 0.170 Uiso 1 1 calc R U . . .
H73I H 0.356722 -0.073203 0.287726 0.170 Uiso 1 1 calc R U . . .
C733 C 0.4821(10) -0.0194(7) 0.2745(4) 0.106(4) Uani 1 1 d . . . . .
H73A H 0.468351 0.025669 0.268407 0.160 Uiso 1 1 calc R U . . .
H73B H 0.473782 -0.039615 0.255274 0.160 Uiso 1 1 calc R U . . .
H73C H 0.537435 -0.033803 0.277522 0.160 Uiso 1 1 calc R U . . .
C734 C 0.4760(12) -0.0956(8) 0.3260(6) 0.125(6) Uani 1 1 d . . . . .
H73D H 0.482169 -0.128510 0.310945 0.187 Uiso 1 1 calc R U . . .
H73E H 0.448872 -0.106238 0.350036 0.187 Uiso 1 1 calc R U . . .
H73F H 0.527965 -0.091149 0.327634 0.187 Uiso 1 1 calc R U . . .
C81 C 1.0952(9) -0.1445(7) 0.2968(4) 0.102(4) Uani 1 1 d . . . . .
C82 C 1.0729(8) -0.1151(6) 0.3288(4) 0.091(4) Uani 1 1 d . . . . .
H82A H 1.097045 -0.083284 0.334123 0.110 Uiso 1 1 calc R U . . .
C83 C 1.0212(9) -0.1431(6) 0.3538(4) 0.095(4) Uani 1 1 d . . . . .
C84 C 1.0067(10) -0.1897(6) 0.3365(4) 0.104(4) Uani 1 1 d . . . . .
H84A H 0.976004 -0.220472 0.347872 0.125 Uiso 1 1 calc R U . . .
C85 C 1.0535(10) -0.1897(6) 0.3014(4) 0.099(4) Uani 1 1 d . . . . .
H85A H 1.059811 -0.220323 0.284042 0.119 Uiso 1 1 calc R U . . .
C811 C 1.1638(9) -0.1373(8) 0.2665(4) 0.103(4) Uani 1 1 d D . . . .
C812 C 1.1536(11) -0.1499(15) 0.2328(6) 0.168(7) Uani 1 1 d . . . . .
H81A H 1.148146 -0.192318 0.234672 0.251 Uiso 1 1 calc R U . . .
H81B H 1.106095 -0.120532 0.225724 0.251 Uiso 1 1 calc R U . . .
H81C H 1.199382 -0.145422 0.214809 0.251 Uiso 1 1 calc R U . . .
C813 C 1.2303(18) -0.183(3) 0.2781(15) 0.168(7) Uani 0.675 1 d . . P Y 1
H81D H 1.219468 -0.223711 0.282356 0.251 Uiso 0.675 1 calc R U P Y 1
H81E H 1.276795 -0.183530 0.259589 0.251 Uiso 0.675 1 calc R U P Y 1
H81F H 1.239882 -0.171959 0.300328 0.251 Uiso 0.675 1 calc R U P Y 1
C815 C 1.245(3) -0.168(7) 0.277(3) 0.168(7) Uani 0.325 1 d D . P Y 2
H81K H 1.251143 -0.212599 0.282676 0.251 Uiso 0.325 1 calc R U P Y 2
H81L H 1.285887 -0.160899 0.256348 0.251 Uiso 0.325 1 calc R U P Y 2
H81M H 1.250867 -0.149812 0.297304 0.251 Uiso 0.325 1 calc R U P Y 2
C814 C 1.1704(12) -0.0766(15) 0.2594(6) 0.168(7) Uani 1 1 d . . . . .
H81G H 1.177757 -0.062693 0.281186 0.251 Uiso 1 1 calc R U . . .
H81H H 1.215659 -0.074517 0.240569 0.251 Uiso 1 1 calc R U . . .
H81I H 1.122372 -0.049627 0.251484 0.251 Uiso 1 1 calc R U . . .
C831 C 0.9947(8) -0.1380(7) 0.3943(4) 0.099(4) Uani 1 1 d . . . . .
C832 C 1.0595(13) -0.1869(11) 0.4114(5) 0.150(5) Uani 1 1 d . . . . .
H83A H 1.110981 -0.180026 0.400441 0.225 Uiso 1 1 calc R U . . .
H83B H 1.050743 -0.183417 0.437171 0.225 Uiso 1 1 calc R U . . .
H83C H 1.058025 -0.228519 0.407586 0.225 Uiso 1 1 calc R U . . .
C833 C 0.9886(13) -0.0723(11) 0.4026(5) 0.150(5) Uani 1 1 d . . . . .
H83D H 1.039708 -0.062758 0.394544 0.225 Uiso 1 1 calc R U . . .
H83E H 0.973068 -0.069782 0.428396 0.225 Uiso 1 1 calc R U . . .
H83F H 0.949067 -0.042379 0.390010 0.225 Uiso 1 1 calc R U . . .
C834 C 0.9210(13) -0.1444(11) 0.4081(5) 0.150(5) Uani 1 1 d . . . . .
H83G H 0.920560 -0.188036 0.409250 0.225 Uiso 1 1 calc R U . . .
H83H H 0.883840 -0.118766 0.392860 0.225 Uiso 1 1 calc R U . . .
H83I H 0.905472 -0.131130 0.432292 0.225 Uiso 1 1 calc R U . . .
Sb1 Sb 0.8901(7) 0.8906(5) 0.0270(3) 0.1179(13) Uani 0.19 1 d G . P Z 1
F11 F 0.7910(11) 0.8776(16) 0.0467(9) 0.135(7) Uiso 0.19 1 d G . P Z 1
F12 F 0.908(2) 0.8278(13) -0.0027(8) 0.135(7) Uiso 0.19 1 d G . P Z 1
F13 F 0.8454(19) 0.9492(13) -0.0082(8) 0.135(7) Uiso 0.19 1 d G . P Z 1
F14 F 0.9347(19) 0.8321(13) 0.0622(7) 0.135(7) Uiso 0.19 1 d G . P Z 1
F15 F 0.872(2) 0.9535(13) 0.0567(8) 0.135(7) Uiso 0.19 1 d G . P Z 1
F16 F 0.9891(11) 0.9037(17) 0.0072(9) 0.135(7) Uiso 0.19 1 d G . P Z 1
Sb1A Sb 0.8839(8) 0.8744(6) 0.0331(3) 0.1179(13) Uani 0.175 1 d G . P A 2
F11A F 0.879(2) 0.8039(13) 0.0145(10) 0.144(9) Uiso 0.175 1 d G . P A 2
F12A F 0.8009(17) 0.9225(17) 0.0102(11) 0.144(9) Uiso 0.175 1 d G . P A 2
F13A F 0.812(2) 0.8582(19) 0.0736(7) 0.144(9) Uiso 0.175 1 d G . P A 2
F14A F 0.956(2) 0.8905(19) -0.0074(7) 0.144(9) Uiso 0.175 1 d G . P A 2
F15A F 0.9669(18) 0.8262(18) 0.0560(11) 0.144(9) Uiso 0.175 1 d G . P A 2
F16A F 0.889(3) 0.9448(14) 0.0517(11) 0.144(9) Uiso 0.175 1 d G . P A 2
Sb1C Sb 0.9163(9) 0.8875(7) 0.0369(3) 0.1179(13) Uani 0.125 1 d G . P B 3
F11C F 0.909(4) 0.949(2) 0.0658(13) 0.145(12) Uiso 0.125 1 d G . P B 3
F12C F 0.993(3) 0.833(2) 0.0614(15) 0.145(12) Uiso 0.125 1 d G . P B 3
F13C F 0.838(3) 0.860(3) 0.0696(12) 0.145(12) Uiso 0.125 1 d G . P B 3
F14C F 0.995(3) 0.915(3) 0.0041(13) 0.145(12) Uiso 0.125 1 d G . P B 3
F15C F 0.840(3) 0.942(2) 0.0123(15) 0.145(12) Uiso 0.125 1 d G . P B 3
F16C F 0.924(4) 0.826(2) 0.0079(13) 0.145(12) Uiso 0.125 1 d G . P B 3
C11S C 0.805(4) 0.750(3) 0.0587(19) 0.031(13) Uiso 0.075 1 d D . P C 3
H11J H 0.775773 0.782791 0.074517 0.037 Uiso 0.075 1 calc R U P C 3
H11K H 0.844892 0.766631 0.041122 0.037 Uiso 0.075 1 calc R U P C 3
Cl18 Cl 0.750(3) 0.735(3) 0.0396(15) 0.105(12) Uiso 0.075 1 d D . P C 3
Cl19 Cl 0.861(3) 0.673(2) 0.0888(13) 0.098(11) Uiso 0.075 1 d . . P C 3
Sb1B Sb 0.8606(5) 0.8462(5) 0.0385(2) 0.1179(13) Uani 0.175 1 d G . P D 4
F11B F 0.7918(19) 0.8307(18) 0.0804(6) 0.146(9) Uiso 0.175 1 d G . P D 4
F12B F 0.856(2) 0.9231(10) 0.0525(10) 0.146(9) Uiso 0.175 1 d G . P D 4
F13B F 0.7746(16) 0.8836(18) 0.0149(10) 0.146(9) Uiso 0.175 1 d G . P D 4
F14B F 0.9465(16) 0.8089(18) 0.0620(10) 0.146(9) Uiso 0.175 1 d G . P D 4
F15B F 0.865(2) 0.7693(10) 0.0245(10) 0.146(9) Uiso 0.175 1 d G . P D 4
F16B F 0.9293(19) 0.8617(19) -0.0035(6) 0.146(9) Uiso 0.175 1 d G . P D 4
Sb1D Sb 0.8133(12) 0.8013(12) 0.0542(5) 0.1179(13) Uani 0.095 1 d G . P E 5
F11D F 0.716(3) 0.811(5) 0.084(2) 0.19(3) Uiso 0.095 1 d G . P E 5
F12D F 0.800(6) 0.731(3) 0.039(3) 0.19(3) Uiso 0.095 1 d G . P E 5
F13D F 0.862(5) 0.751(4) 0.091(2) 0.19(3) Uiso 0.095 1 d G . P E 5
F14D F 0.764(5) 0.851(4) 0.017(2) 0.19(3) Uiso 0.095 1 d G . P E 5
F15D F 0.827(6) 0.872(3) 0.070(3) 0.19(3) Uiso 0.095 1 d G . P E 5
F16D F 0.911(3) 0.791(5) 0.024(2) 0.19(3) Uiso 0.095 1 d G . P E 5
Sb1E Sb 0.9148(18) 0.8716(15) 0.0308(8) 0.1179(13) Uani 0.065 1 d G . P F 6
F11E F 0.815(3) 0.918(4) 0.050(3) 0.13(2) Uiso 0.065 1 d G . P F 6
F12E F 0.961(6) 0.908(4) 0.059(2) 0.13(2) Uiso 0.065 1 d G . P F 6
F13E F 0.922(6) 0.936(3) -0.006(2) 0.13(2) Uiso 0.065 1 d G . P F 6
F14E F 0.907(6) 0.808(3) 0.0676(19) 0.13(2) Uiso 0.065 1 d G . P F 6
F15E F 0.869(5) 0.835(4) 0.003(2) 0.13(2) Uiso 0.065 1 d G . P F 6
F16E F 1.015(3) 0.825(4) 0.011(3) 0.13(2) Uiso 0.065 1 d G . P F 6
Sb1F Sb 0.8273(11) 0.8019(11) 0.0495(5) 0.1179(13) Uani 0.1 1 d G . P G 7
F11F F 0.813(3) 0.744(2) 0.0231(13) 0.117(11) Uiso 0.1 1 d G . P G 7
F12F F 0.7300(18) 0.855(2) 0.0416(16) 0.117(11) Uiso 0.1 1 d G . P G 7
F13F F 0.877(3) 0.839(2) 0.0078(9) 0.117(11) Uiso 0.1 1 d G . P G 7
F14F F 0.778(3) 0.765(3) 0.0913(9) 0.117(11) Uiso 0.1 1 d G . P G 7
F15F F 0.9246(18) 0.749(2) 0.0575(16) 0.117(11) Uiso 0.1 1 d G . P G 7
F16F F 0.842(3) 0.860(2) 0.0760(13) 0.117(11) Uiso 0.1 1 d G . P G 7
Sb1L Sb 0.9855(15) 0.9296(13) 0.0471(6) 0.1179(13) Uani 0.05 1 d G . P H 8
F11L F 0.943(6) 0.910(5) 0.011(2) 0.12(2) Uiso 0.05 1 d G . P H 8
F12L F 0.890(3) 0.987(4) 0.061(3) 0.12(2) Uiso 0.05 1 d G . P H 8
F13L F 1.021(6) 0.992(4) 0.015(2) 0.12(2) Uiso 0.05 1 d G . P H 8
F14L F 0.950(6) 0.868(4) 0.079(2) 0.12(2) Uiso 0.05 1 d G . P H 8
F15L F 1.081(3) 0.872(4) 0.033(3) 0.12(2) Uiso 0.05 1 d G . P H 8
F16L F 1.028(6) 0.950(5) 0.083(2) 0.12(2) Uiso 0.05 1 d G . P H 8
Sb1M Sb 1.160329 0.904083 0.026583 0.093 Uiso 0.0225 1 d . . P I 9
F11M F 1.065968 0.966466 0.029017 0.107 Uiso 0.0225 1 d . . P I 9
F12M F 1.104045 0.843847 0.032252 0.107 Uiso 0.0225 1 d . . P I 9
F13M F 1.152904 0.898814 0.076302 0.107 Uiso 0.0225 1 d . . P I 9
F14M F 1.167754 0.909352 -0.023135 0.107 Uiso 0.0225 1 d . . P I 9
F15M F 1.216613 0.964319 0.020915 0.107 Uiso 0.0225 1 d . . P I 9
F16M F 1.254690 0.841701 0.024149 0.107 Uiso 0.0225 1 d . . P I 9
Sb1K Sb 1.169(3) 0.933(2) 0.0277(14) 0.113(12) Uiso 0.025 1 d . . P I 9
Sb1N Sb 1.209(5) 0.898(4) 0.037(2) 0.126(18) Uiso 0.02 1 d . . P I 9
Sb22 Sb 1.358(6) 0.978(4) 0.009(3) 0.12(2) Uiso 0.015 1 d . . P J 8
Sb21 Sb 1.315(3) 0.944(2) 0.0168(13) 0.122(15) Uiso 0.0225 1 d G . P K 10
F211 F 1.404(4) 0.971(4) -0.005(2) 0.079(16) Uiso 0.0375 1 d G . P K 10
F212 F 1.252(5) 1.013(3) -0.007(2) 0.079(16) Uiso 0.0375 1 d G . P K 10
F213 F 1.302(6) 0.989(4) 0.0555(19) 0.079(16) Uiso 0.0375 1 d G . P K 10
F214 F 1.327(6) 0.899(4) -0.0219(19) 0.079(16) Uiso 0.0375 1 d G . P K 10
F215 F 1.377(5) 0.875(3) 0.040(2) 0.079(16) Uiso 0.0375 1 d G . P K 10
F216 F 1.225(4) 0.917(4) 0.038(2) 0.079(16) Uiso 0.0375 1 d G . P K 10
Sb2 Sb -0.2297(4) 0.5283(3) 0.57164(19) 0.1086(11) Uani 0.275 1 d G . P L 1
F21 F -0.2170(12) 0.4446(4) 0.5669(5) 0.119(4) Uiso 0.275 1 d G . P L 1
F22 F -0.3388(5) 0.5395(9) 0.5832(6) 0.119(4) Uiso 0.275 1 d G . P L 1
F23 F -0.2214(13) 0.5080(9) 0.6201(2) 0.119(4) Uiso 0.275 1 d G . P L 1
F24 F -0.2381(13) 0.5486(9) 0.5231(2) 0.119(4) Uiso 0.275 1 d G . P L 1
F25 F -0.1206(5) 0.5171(9) 0.5600(6) 0.119(4) Uiso 0.275 1 d G . P L 1
F26 F -0.2424(12) 0.6121(4) 0.5764(5) 0.119(4) Uiso 0.275 1 d G . P L 1
Sb2A Sb -0.2328(7) 0.5134(6) 0.5668(3) 0.1086(11) Uani 0.175 1 d G . P M 4
F21A F -0.3282(12) 0.5675(13) 0.5845(10) 0.129(7) Uiso 0.175 1 d G . P M 4
F22A F -0.2843(19) 0.4509(12) 0.5693(9) 0.129(7) Uiso 0.175 1 d G . P M 4
F23A F -0.252(2) 0.5402(16) 0.5200(5) 0.129(7) Uiso 0.175 1 d G . P M 4
F24A F -0.214(2) 0.4866(16) 0.6136(5) 0.129(7) Uiso 0.175 1 d G . P M 4
F25A F -0.1814(19) 0.5759(12) 0.5642(9) 0.129(7) Uiso 0.175 1 d G . P M 4
F26A F -0.1374(13) 0.4594(13) 0.5490(9) 0.129(7) Uiso 0.175 1 d G . P M 4
Sb2B Sb -0.2434(7) 0.5120(7) 0.5550(3) 0.1086(11) Uani 0.1 1 d G . P N 3
F21B F -0.331(2) 0.479(3) 0.5672(15) 0.129(12) Uiso 0.1 1 d G . P N 3
F22B F -0.288(3) 0.568(2) 0.5896(12) 0.129(12) Uiso 0.1 1 d G . P N 3
F23B F -0.194(3) 0.454(2) 0.5892(12) 0.129(12) Uiso 0.1 1 d G . P N 3
F24B F -0.293(3) 0.570(2) 0.5209(12) 0.129(12) Uiso 0.1 1 d G . P N 3
F25B F -0.199(3) 0.456(2) 0.5205(12) 0.129(12) Uiso 0.1 1 d G . P N 3
F26B F -0.156(2) 0.545(3) 0.5428(15) 0.129(12) Uiso 0.1 1 d G . P N 3
Sb2D Sb -0.0908(3) 0.3873(3) 0.64250(17) 0.080 Uiso 0.15 1 d G U P O 1
F21D F -0.1418(19) 0.3382(14) 0.6257(9) 0.123(7) Uiso 0.15 1 d G . P O 1
F22D F 0.0024(12) 0.3536(15) 0.6123(8) 0.123(7) Uiso 0.15 1 d G . P O 1
F23D F -0.120(2) 0.4505(12) 0.6062(7) 0.123(7) Uiso 0.15 1 d G . P O 1
F24D F -0.062(2) 0.3240(12) 0.6787(7) 0.123(7) Uiso 0.15 1 d G . P O 1
F25D F -0.1840(12) 0.4210(15) 0.6727(8) 0.123(7) Uiso 0.15 1 d G . P O 1
F26D F -0.0397(19) 0.4364(14) 0.6593(9) 0.123(7) Uiso 0.15 1 d G . P O 1
Sb2E Sb -0.0850(4) 0.3924(4) 0.6221(2) 0.1086(11) Uani 0.15 1 d G . P P 5
F21E F -0.1461(16) 0.3352(11) 0.6364(8) 0.109(6) Uiso 0.15 1 d G . P P 5
F22E F -0.0066(14) 0.3331(11) 0.5969(8) 0.109(6) Uiso 0.15 1 d G . P P 5
F23E F -0.1323(17) 0.4200(15) 0.5812(5) 0.109(6) Uiso 0.15 1 d G . P P 5
F24E F -0.0377(17) 0.3648(15) 0.6630(5) 0.109(6) Uiso 0.15 1 d G . P P 5
F25E F -0.1634(14) 0.4517(11) 0.6473(8) 0.109(6) Uiso 0.15 1 d G . P P 5
F26E F -0.0239(16) 0.4497(11) 0.6078(8) 0.109(6) Uiso 0.15 1 d G . P P 5
Sb2C Sb -0.3004(8) 0.4992(8) 0.5473(4) 0.1086(11) Uani 0.075 1 d . . P Q 5
Sb2F Sb -0.050930 0.404770 0.634290 0.070 Uiso 0.075 1 d . U P R 6
F21F F -0.010030 0.442580 0.590480 0.080 Uiso 0.075 1 d . . P R 6
F22F F 0.044870 0.391730 0.650250 0.080 Uiso 0.075 1 d . . P R 6
F23F F -0.015220 0.327650 0.615960 0.080 Uiso 0.075 1 d . . P R 6
F24F F -0.086650 0.481890 0.652620 0.080 Uiso 0.075 1 d . . P R 6
F25F F -0.146740 0.417810 0.618340 0.080 Uiso 0.075 1 d . . P R 6
F26F F -0.091840 0.366960 0.678100 0.080 Uiso 0.075 1 d . . P R 6
Sb3 Sb 0.4905(10) 0.2307(7) 0.7596(5) 0.0977(8) Uani 0.275 1 d G . P S 1
F31 F 0.5472(18) 0.2205(15) 0.7134(6) 0.155(7) Uani 0.275 1 d G . P S 1
F32 F 0.5499(18) 0.2834(14) 0.7658(9) 0.155(7) Uani 0.275 1 d G . P S 1
F33 F 0.5638(17) 0.1624(12) 0.7779(9) 0.155(7) Uani 0.275 1 d G . P S 1
F34 F 0.4171(17) 0.2990(10) 0.7414(9) 0.155(7) Uani 0.275 1 d G . P S 1
F35 F 0.4311(18) 0.1779(13) 0.7535(9) 0.155(7) Uani 0.275 1 d G . P S 1
F36 F 0.4337(19) 0.2408(15) 0.8059(6) 0.155(7) Uani 0.275 1 d G . P S 1
Sb3A Sb 0.4938(7) 0.2357(4) 0.7597(3) 0.0977(8) Uani 0.35 1 d G . P T 2
F31A F 0.5477(13) 0.2298(10) 0.7127(4) 0.130(5) Uani 0.35 1 d G . P T 2
F32A F 0.5788(10) 0.2550(8) 0.7726(6) 0.130(5) Uani 0.35 1 d G . P T 2
F33A F 0.5385(12) 0.1512(4) 0.7712(6) 0.130(5) Uani 0.35 1 d G . P T 2
F34A F 0.4491(12) 0.3202(4) 0.7481(6) 0.130(5) Uani 0.35 1 d G . P T 2
F35A F 0.4089(10) 0.2164(9) 0.7467(6) 0.130(5) Uani 0.35 1 d G . P T 2
F36A F 0.4399(13) 0.2415(10) 0.8067(4) 0.130(5) Uani 0.35 1 d G . P T 2
Sb3B Sb 0.4857(8) 0.2485(4) 0.7608(4) 0.0977(8) Uani 0.25 1 d G . P U 3
F31B F 0.4572(17) 0.3353(4) 0.7572(7) 0.133(6) Uani 0.25 1 d G . P U 3
F32B F 0.4109(13) 0.2504(12) 0.7326(7) 0.133(6) Uani 0.25 1 d G . P U 3
F33B F 0.4101(14) 0.2464(12) 0.8020(6) 0.133(6) Uani 0.25 1 d G . P U 3
F34B F 0.5614(14) 0.2506(12) 0.7195(6) 0.133(6) Uani 0.25 1 d G . P U 3
F35B F 0.5605(14) 0.2466(12) 0.7889(7) 0.133(6) Uani 0.25 1 d G . P U 3
F36B F 0.5142(16) 0.1616(4) 0.7644(7) 0.133(6) Uani 0.25 1 d G . P U 3
Sb4 Sb 0.3673(2) 0.14019(15) 0.20288(10) 0.0869(6) Uani 0.7 1 d . . P V 1
F41 F 0.2625(6) 0.1630(7) 0.1954(4) 0.093(3) Uani 0.7 1 d . . P V 1
F42 F 0.3593(11) 0.0610(8) 0.2137(6) 0.130(6) Uani 0.7 1 d . . P V 1
F43 F 0.3762(11) 0.2192(9) 0.1887(5) 0.124(5) Uani 0.7 1 d . . P V 1
F44 F 0.3363(9) 0.1565(8) 0.2487(4) 0.108(4) Uani 0.7 1 d . . P V 1
F45 F 0.4735(8) 0.1172(9) 0.2079(6) 0.134(6) Uani 0.7 1 d . . P V 1
F46 F 0.4013(12) 0.1242(11) 0.1548(5) 0.134(6) Uani 0.7 1 d . . P V 1
Sb4A Sb 0.3741(6) 0.1541(5) 0.1968(3) 0.0869(6) Uani 0.3 1 d G . P W 2
F41A F 0.2684(9) 0.1812(15) 0.1910(10) 0.123(10) Uani 0.3 1 d G . P W 2
F42A F 0.346(2) 0.1777(15) 0.2433(4) 0.123(10) Uani 0.3 1 d G . P W 2
F43A F 0.388(2) 0.2332(8) 0.1792(8) 0.123(10) Uani 0.3 1 d G . P W 2
F44A F 0.361(2) 0.0750(8) 0.2144(8) 0.123(10) Uani 0.3 1 d G . P W 2
F45A F 0.402(2) 0.1305(15) 0.1503(4) 0.123(10) Uani 0.3 1 d G . P W 2
F46A F 0.4798(8) 0.1270(14) 0.2026(10) 0.123(10) Uani 0.3 1 d G . P W 2
Sb5 Sb 0.0009(13) 0.3416(8) 0.7271(7) 0.158(4) Uani 0.2 1 d G . P X 9
F51 F 0.084(3) 0.360(2) 0.7418(19) 0.23(2) Uani 0.2 1 d G . P X 9
F52 F 0.016(4) 0.393(2) 0.6843(10) 0.23(2) Uani 0.2 1 d G . P X 9
F53 F 0.071(3) 0.2738(17) 0.7056(14) 0.23(2) Uani 0.2 1 d G . P X 9
F54 F -0.069(3) 0.4094(16) 0.7486(14) 0.23(2) Uani 0.2 1 d G . P X 9
F55 F -0.014(4) 0.2906(19) 0.7699(10) 0.23(2) Uani 0.2 1 d G . P X 9
F56 F -0.082(3) 0.323(3) 0.7124(19) 0.23(2) Uani 0.2 1 d G . P X 9
Sb5A Sb -0.0337(11) 0.6690(8) 0.2821(6) 0.158(4) Uani 0.2 1 d G . P Y 7
F51A F 0.0688(13) 0.6557(19) 0.2910(11) 0.123(7) Uiso 0.2 1 d G . P Y 7
F52A F -0.010(2) 0.7201(14) 0.2403(8) 0.123(7) Uiso 0.2 1 d G . P Y 7
F53A F -0.067(2) 0.7381(12) 0.3082(10) 0.123(7) Uiso 0.2 1 d G . P Y 7
F54A F -0.001(2) 0.6000(12) 0.2560(9) 0.123(7) Uiso 0.2 1 d G . P Y 7
F55A F -0.057(2) 0.6180(14) 0.3239(7) 0.123(7) Uiso 0.2 1 d G . P Y 7
F56A F -0.1362(14) 0.6823(19) 0.2731(10) 0.123(7) Uiso 0.2 1 d G . P Y 7
Sb5B Sb 0.0220(14) 0.3403(10) 0.7186(7) 0.158(4) Uani 0.1 1 d G . P Z 3
F51B F -0.0757(16) 0.3883(17) 0.7080(11) 0.075(6) Uiso 0.1 1 d G . P Z 3
F52B F 0.072(2) 0.3944(15) 0.6866(10) 0.075(6) Uiso 0.1 1 d G . P Z 3
F53B F 0.012(2) 0.3883(17) 0.7557(9) 0.075(6) Uiso 0.1 1 d G . P Z 3
F54B F 0.032(2) 0.2922(16) 0.6814(9) 0.075(6) Uiso 0.1 1 d G . P Z 3
F55B F -0.028(2) 0.2861(16) 0.7505(9) 0.075(6) Uiso 0.1 1 d G . P Z 3
F56B F 0.1197(17) 0.2922(16) 0.7291(11) 0.075(6) Uiso 0.1 1 d G . P Z 3
Sb5D Sb 0.0300(7) 0.3337(7) 0.7223(3) 0.072(3) Uiso 0.125 1 d G . P A 4
F51D F 0.071(3) 0.2786(19) 0.6872(10) 0.121(11) Uiso 0.125 1 d G . P A 4
F52D F 0.1309(15) 0.343(3) 0.7214(13) 0.121(11) Uiso 0.125 1 d G . P A 4
F53D F 0.047(3) 0.2671(16) 0.7580(10) 0.121(11) Uiso 0.125 1 d G . P A 4
F54D F 0.013(3) 0.4003(16) 0.6866(10) 0.121(11) Uiso 0.125 1 d G . P A 4
F55D F -0.0710(14) 0.325(3) 0.7233(13) 0.121(11) Uiso 0.125 1 d G . P A 4
F56D F -0.011(3) 0.3888(19) 0.7575(10) 0.121(11) Uiso 0.125 1 d G . P A 4
Sb5F Sb 0.0234(15) 0.6615(12) 0.2536(7) 0.121(8) Uiso 0.075 1 d G . P B 10
F51F F 0.063(7) 0.630(6) 0.296(2) 0.18(3) Uiso 0.075 1 d G . P B 10
F52F F 0.106(5) 0.605(4) 0.229(3) 0.18(3) Uiso 0.075 1 d G . P B 10
F53F F 0.084(6) 0.719(5) 0.245(3) 0.18(3) Uiso 0.075 1 d G . P B 10
F54F F -0.037(6) 0.604(5) 0.262(3) 0.18(3) Uiso 0.075 1 d G . P B 10
F55F F -0.060(5) 0.718(5) 0.278(3) 0.18(3) Uiso 0.075 1 d G . P B 10
F56F F -0.016(7) 0.693(6) 0.2109(19) 0.18(3) Uiso 0.075 1 d G . P B 10
Sb5C Sb 0.0126(9) 0.3275(6) 0.7354(6) 0.102(4) Uani 0.125 1 d G . P C 8
F51C F 0.032(2) 0.2812(17) 0.6966(9) 0.105(8) Uiso 0.125 1 d G . P C 8
F52C F 0.064(2) 0.3841(14) 0.7070(10) 0.105(8) Uiso 0.125 1 d G . P C 8
F53C F 0.1079(15) 0.2805(16) 0.7491(12) 0.105(8) Uiso 0.125 1 d G . P C 8
F54C F -0.0827(14) 0.3745(17) 0.7218(12) 0.105(8) Uiso 0.125 1 d G . P C 8
F55C F -0.039(2) 0.2710(14) 0.7639(10) 0.105(8) Uiso 0.125 1 d G . P C 8
F56C F -0.007(2) 0.3738(16) 0.7743(9) 0.105(8) Uiso 0.125 1 d G . P C 8
Sb5E Sb -0.0222(16) 0.4160(12) 0.6176(7) 0.094(6) Uiso 0.0375 1 d . . P D 8
Sb6 Sb 0.47782(5) 0.20547(4) 0.56554(3) 0.0882(2) Uani 1 1 d . . . . .
F61 F 0.4135(6) 0.2866(5) 0.5616(3) 0.1227(11) Uani 1 1 d . . . . .
F62 F 0.5446(6) 0.1257(5) 0.5690(3) 0.1227(11) Uani 1 1 d . . . . .
F63 F 0.4408(6) 0.1971(5) 0.6153(3) 0.1227(11) Uani 1 1 d . . . . .
F64 F 0.5588(6) 0.2366(5) 0.5736(3) 0.1227(11) Uani 1 1 d . . . . .
F65 F 0.4011(6) 0.1716(5) 0.5568(3) 0.1227(11) Uani 1 1 d . . . . .
F66 F 0.5164(6) 0.2135(5) 0.5166(3) 0.1227(11) Uani 1 1 d . . . . .
Sb7 Sb 0.500000 0.500000 0.500000 0.1412(12) Uani 0.55 2 d S . P E 1
F71 F 0.577(2) 0.4631(16) 0.4642(9) 0.193(6) Uiso 0.55 1 d . . P E 1
F72 F 0.476(2) 0.4171(17) 0.5221(10) 0.193(6) Uiso 0.55 1 d . . P E 1
F73 F 0.430(2) 0.5319(17) 0.4676(10) 0.193(6) Uiso 0.55 1 d . . P E 1
Sb7B Sb 0.5519(11) 0.5623(9) 0.4951(7) 0.1412(12) Uani 0.075 1 d G . P E -1
F71B F 0.619(4) 0.537(4) 0.4531(14) 0.137(19) Uiso 0.075 1 d G . P E -1
F72B F 0.536(5) 0.6450(15) 0.475(2) 0.137(19) Uiso 0.075 1 d G . P E -1
F73B F 0.466(3) 0.555(4) 0.477(2) 0.137(19) Uiso 0.075 1 d G . P E -1
F74B F 0.638(3) 0.569(4) 0.514(2) 0.137(19) Uiso 0.075 1 d G . P E -1
F75B F 0.568(5) 0.4796(15) 0.515(2) 0.137(19) Uiso 0.075 1 d G . P E -1
F76B F 0.485(4) 0.588(4) 0.5371(14) 0.137(19) Uiso 0.075 1 d G . P E -1
Sb8 Sb 1.09073(5) 0.16522(4) 0.46796(2) 0.0816(2) Uani 1 1 d . . . . .
F81 F 1.1716(5) 0.1119(4) 0.4395(3) 0.110(2) Uani 1 1 d . . . . .
F82 F 1.0102(4) 0.2182(4) 0.4969(2) 0.101(2) Uani 1 1 d . . . . .
F83 F 1.0664(12) 0.1019(12) 0.5000(7) 0.099(3) Uani 0.45 1 d . . P F 1
F84 F 1.1102(12) 0.2335(12) 0.4367(7) 0.099(3) Uani 0.45 1 d . . P F 1
F85 F 1.0185(13) 0.1786(10) 0.4354(7) 0.099(3) Uani 0.45 1 d . . P F 1
F86 F 1.1660(12) 0.1744(10) 0.4963(7) 0.099(3) Uani 0.45 1 d . . P F 1
F83A F 1.0506(13) 0.0988(12) 0.4922(7) 0.115(3) Uani 0.55 1 d . . P F 2
F84A F 1.1260(13) 0.2350(11) 0.4454(7) 0.115(3) Uani 0.55 1 d . . P F 2
F85A F 1.0168(13) 0.1589(9) 0.4444(7) 0.115(3) Uani 0.55 1 d . . P F 2
F86A F 1.1552(13) 0.1548(9) 0.5022(7) 0.115(3) Uani 0.55 1 d . . P F 2
Sb9 Sb 1.0689(11) 0.4552(6) -0.0040(3) 0.128(3) Uani 0.1 1 d G . P G 1
F91 F 1.083(4) 0.481(3) -0.0531(5) 0.117(11) Uiso 0.1 1 d G . P G 1
F92 F 1.1697(16) 0.401(2) -0.0097(16) 0.117(11) Uiso 0.1 1 d G . P G 1
F93 F 1.027(3) 0.392(2) -0.0121(14) 0.117(11) Uiso 0.1 1 d G . P G 1
F94 F 1.111(3) 0.5180(19) 0.0041(14) 0.117(11) Uiso 0.1 1 d G . P G 1
F95 F 0.9681(18) 0.509(2) 0.0016(16) 0.117(11) Uiso 0.1 1 d G . P G 1
F96 F 1.055(3) 0.429(2) 0.0451(4) 0.117(11) Uiso 0.1 1 d G . P G 1
Sb9A Sb 0.986(3) 0.5187(10) -0.0014(8) 0.128(3) Uani 0.0775 1 d G . P H 2
F91A F 0.954(5) 0.509(4) 0.0482(8) 0.120(16) Uiso 0.0775 1 d G . P H 2
F92A F 0.888(3) 0.514(4) -0.008(2) 0.120(16) Uiso 0.0775 1 d G . P H 2
F93A F 0.948(5) 0.6049(11) -0.001(2) 0.120(16) Uiso 0.0775 1 d G . P H 2
F94A F 1.023(5) 0.4325(11) -0.002(2) 0.120(16) Uiso 0.0775 1 d G . P H 2
F95A F 1.084(3) 0.523(4) 0.006(2) 0.120(16) Uiso 0.0775 1 d G . P H 2
F96A F 1.018(5) 0.529(4) -0.0510(9) 0.120(16) Uiso 0.0775 1 d G . P H 2
Sb9B Sb 1.000000 0.500000 0.000000 0.128(3) Uani 0.25 2 d GS . P I 3
F91B F 0.982(4) 0.468(3) 0.0469(5) 0.21(2) Uiso 0.125 1 d G . P I 3
F92B F 0.931(3) 0.462(3) -0.012(2) 0.21(2) Uiso 0.125 1 d G . P I 3
F93B F 0.926(3) 0.5714(17) 0.0069(18) 0.21(2) Uiso 0.125 1 d G . P I 3
F94B F 1.084(3) 0.425(2) -0.009(2) 0.21(2) Uiso 0.125 1 d G . P I 3
F95B F 1.078(3) 0.534(3) 0.010(2) 0.21(2) Uiso 0.125 1 d G . P I 3
F96B F 1.027(5) 0.528(3) -0.0494(6) 0.21(2) Uiso 0.125 1 d G . P I 3
Sb11 Sb 0.3461(7) 0.6834(6) 0.0627(3) 0.0972(17) Uiso 0.09 1 d G . P J 1
F111 F 0.425(3) 0.725(3) 0.045(2) 0.154(19) Uiso 0.09 1 d G . P J 1
F112 F 0.410(4) 0.612(2) 0.042(2) 0.154(19) Uiso 0.09 1 d G . P J 1
F113 F 0.303(5) 0.711(4) 0.0207(13) 0.154(19) Uiso 0.09 1 d G . P J 1
F114 F 0.389(5) 0.656(4) 0.1047(13) 0.154(19) Uiso 0.09 1 d G . P J 1
F115 F 0.282(4) 0.754(2) 0.083(2) 0.154(19) Uiso 0.09 1 d G . P J 1
F116 F 0.267(3) 0.642(3) 0.081(2) 0.154(19) Uiso 0.09 1 d G . P J 1
Sb12 Sb 0.3359(11) 0.6288(9) 0.0818(5) 0.0972(17) Uiso 0.055 1 d G . P B 2
F121 F 0.425(5) 0.563(4) 0.087(4) 0.15(3) Uiso 0.055 1 d G . P B 2
F122 F 0.393(7) 0.666(5) 0.042(2) 0.15(3) Uiso 0.055 1 d G . P B 2
F123 F 0.365(8) 0.672(5) 0.112(3) 0.15(3) Uiso 0.055 1 d G . P B 2
F124 F 0.307(8) 0.585(5) 0.051(3) 0.15(3) Uiso 0.055 1 d G . P B 2
F125 F 0.279(7) 0.592(5) 0.121(2) 0.15(3) Uiso 0.055 1 d G . P B 2
F126 F 0.246(5) 0.694(4) 0.077(4) 0.15(3) Uiso 0.055 1 d G . P B 2
Sb10 Sb 0.3324(5) 0.6691(4) 0.0700(2) 0.0972(17) Uiso 0.125 1 d G . P K 3
F101 F 0.393(3) 0.724(2) 0.0719(18) 0.173(16) Uiso 0.125 1 d G . P K 3
F102 F 0.338(4) 0.640(3) 0.1181(6) 0.173(16) Uiso 0.125 1 d G . P K 3
F103 F 0.424(2) 0.608(2) 0.0559(18) 0.173(16) Uiso 0.125 1 d G . P K 3
F104 F 0.240(2) 0.730(2) 0.0842(18) 0.173(16) Uiso 0.125 1 d G . P K 3
F105 F 0.327(4) 0.698(3) 0.0220(6) 0.173(16) Uiso 0.125 1 d G . P K 3
F106 F 0.272(3) 0.614(2) 0.0682(18) 0.173(16) Uiso 0.125 1 d G . P K 3
Sb13 Sb 0.705(4) 0.714(3) 0.0313(18) 0.094(14) Uiso 0.015 1 d . . P L 4
F131 F 0.629(3) 0.639(2) 0.0051(13) 0.070 Uiso 0.121(16) 1 d . U . L 4
F132 F 0.775(4) 0.699(3) 0.0313(16) 0.070 Uiso 0.098(15) 1 d . U . L 4
F133 F 0.660(4) 0.650(3) 0.0083(16) 0.070 Uiso 0.096(16) 1 d . U . L 4
Sb14 Sb 0.478340 0.683030 0.010680 0.107 Uiso 0.0175 1 d . . P M 5
F141 F 0.555640 0.721590 0.014600 0.107 Uiso 0.0175 1 d . . P M 5
F142 F 0.477450 0.719250 -0.036600 0.107 Uiso 0.0175 1 d . . P M 5
F143 F 0.399910 0.751940 0.026780 0.107 Uiso 0.0175 1 d . . P M 5
F144 F 0.556770 0.614120 -0.005420 0.107 Uiso 0.0175 1 d . . P M 5
F145 F 0.479230 0.646810 0.057960 0.107 Uiso 0.0175 1 d . . P M 5
F146 F 0.401040 0.644470 0.006760 0.107 Uiso 0.0175 1 d . . P M 5
Sb15 Sb 0.516350 0.670950 -0.016610 0.114 Uiso 0.025 1 d . . P N 6
F151 F 0.603900 0.638490 0.006440 0.110 Uiso 0.025 1 d . . P N 6
F152 F 0.449560 0.663480 0.027180 0.110 Uiso 0.025 1 d . . P N 6
F153 F 0.517780 0.590710 -0.024390 0.110 Uiso 0.025 1 d . . P N 6
F154 F 0.514930 0.751190 -0.008830 0.110 Uiso 0.025 1 d . . P N 6
F155 F 0.583140 0.678420 -0.060400 0.110 Uiso 0.025 1 d . . P N 6
F156 F 0.428810 0.703410 -0.039670 0.110 Uiso 0.025 1 d . . P N 6
C1S C 1.0794(12) 0.0719(10) 0.3854(6) 0.110(5) Uiso 0.7875 1 d D . P . .
H1SE H 1.046602 0.042800 0.395819 0.132 Uiso 0.1175 1 calc R U P O 3
H1SF H 1.082279 0.094394 0.405079 0.132 Uiso 0.1175 1 calc R U P O 3
H1SC H 1.071406 0.045598 0.408243 0.132 Uiso 0.295 1 calc R U P P 2
H1SD H 1.093768 0.108761 0.390253 0.132 Uiso 0.295 1 calc R U P P 2
H1SA H 1.093818 0.111453 0.376393 0.132 Uiso 0.375 1 calc R U P Q 1
H1SB H 1.079870 0.064328 0.411448 0.132 Uiso 0.375 1 calc R U P Q 1
Cl11 Cl 1.1461(6) 0.0123(5) 0.3643(3) 0.095(3) Uiso 0.375 1 d . . P R 1
Cl12 Cl 0.9765(5) 0.0773(4) 0.3761(2) 0.0806(18) Uiso 0.375 1 d . . P R 1
Cl14 Cl 1.1575(9) 0.0288(7) 0.3542(4) 0.097(3) Uiso 0.295 1 d . . P R 2
Cl13 Cl 0.9939(6) 0.0950(5) 0.3672(3) 0.092(2) Uiso 0.35 1 d . . P R 2
Cl16 Cl 1.1755(18) 0.0265(19) 0.3713(14) 0.125(11) Uiso 0.1175 1 d D . P R 3
Cl15 Cl 1.028(3) 0.126(2) 0.3552(14) 0.102(14) Uiso 0.0625 1 d D . P R 3
C2S C 0.5036(17) 0.2554(13) 0.2206(8) 0.107(7) Uiso 0.6 1 d . . P . .
H2SA H 0.462017 0.265344 0.205586 0.129 Uiso 0.6 1 calc R U P . .
H2SB H 0.519299 0.209763 0.226173 0.129 Uiso 0.6 1 calc R U P . .
Cl21 Cl 0.5868(3) 0.2804(3) 0.1955(2) 0.1085(17) Uani 0.6 1 d . . P . .
Cl22 Cl 0.4651(4) 0.2887(3) 0.26003(17) 0.0953(13) Uani 0.6 1 d . . P . .
C32S C 1.165(3) 0.109(2) 0.2672(14) 0.106(12) Uiso 0.35 1 d . . P S 1
H32D H 1.206198 0.128248 0.253259 0.127 Uiso 0.35 1 calc R U P S 1
H32E H 1.190285 0.076959 0.285071 0.127 Uiso 0.35 1 calc R U P S 1
Cl33 Cl 1.0871(8) 0.1729(10) 0.2940(8) 0.159(13) Uani 0.35 1 d . . P S 1
Cl34 Cl 1.1439(18) 0.0747(13) 0.2423(6) 0.184(12) Uani 0.35 1 d . . P S 1
C31S C 1.170(3) 0.143(2) 0.2585(18) 0.116(19) Uiso 0.25 1 d D . P T 2
H31L H 1.219499 0.135642 0.268112 0.139 Uiso 0.25 1 calc R U P T 2
H31M H 1.172722 0.170272 0.235707 0.139 Uiso 0.25 1 calc R U P T 2
Cl31 Cl 1.1501(11) 0.0721(9) 0.2534(5) 0.084(4) Uiso 0.25 1 d D . P T 2
Cl32 Cl 1.087(2) 0.174(2) 0.2899(11) 0.153(14) Uiso 0.25 1 d D . P T 2
C4S C 0.6636(12) 0.2100(9) 0.6356(5) 0.101(5) Uiso 0.8 1 d D . P . .
H4SA H 0.619165 0.222416 0.622060 0.121 Uiso 0.8 1 calc R U P U 1
H4SB H 0.642887 0.201406 0.661239 0.121 Uiso 0.8 1 calc R U P U 1
Cl41 Cl 0.7398(17) 0.1385(14) 0.6181(8) 0.099(8) Uani 0.35 1 d . . P V 1
Cl42 Cl 0.7173(11) 0.2739(8) 0.6288(5) 0.106(5) Uiso 0.35 1 d . . P V 1
Cl43 Cl 0.7190(14) 0.146(2) 0.6132(9) 0.095(5) Uani 0.3 1 d . . P V 2
Cl44 Cl 0.7056(10) 0.2636(8) 0.6345(5) 0.098(5) Uiso 0.3 1 d . . P V 2
Cl45 Cl 0.735(5) 0.143(3) 0.6245(18) 0.103(14) Uiso 0.15 1 d . . P V 3
Cl46 Cl 0.7052(19) 0.2730(12) 0.6183(9) 0.101(8) Uiso 0.15 1 d D . P V 3
C51S C 1.347(5) 0.751(5) 0.161(3) 0.09(2) Uiso 0.125 1 d D . P W 1
H51A H 1.387837 0.740151 0.176425 0.104 Uiso 0.125 1 calc R U P W 1
H51K H 1.371372 0.734544 0.137757 0.104 Uiso 0.125 1 calc R U P W 1
Cl51 Cl 1.270(2) 0.7166(14) 0.1812(8) 0.096(7) Uiso 0.125 1 d D . P W 1
Cl52 Cl 1.317(3) 0.830(3) 0.1536(14) 0.112(13) Uiso 0.125 1 d D . P W 1
C52S C 1.312(5) 0.732(4) 0.163(4) 0.07(4) Uiso 0.075 1 d D . P X 5
H52D H 1.349423 0.721123 0.180489 0.084 Uiso 0.075 1 calc R U P X 5
H52E H 1.338030 0.706343 0.143379 0.084 Uiso 0.075 1 calc R U P X 5
Cl53 Cl 1.234(2) 0.6990(18) 0.1852(10) 0.080(8) Uiso 0.075 1 d D . P X 5
Cl54 Cl 1.317(4) 0.808(3) 0.1443(19) 0.110(16) Uiso 0.075 1 d D . P X 5
C53S C 1.297(7) 0.780(3) 0.139(2) 0.100 Uiso 0.125 1 d D U P Y 2
H53L H 1.241075 0.794286 0.135263 0.120 Uiso 0.125 1 calc R U P Y 2
H53M H 1.329025 0.762299 0.116863 0.120 Uiso 0.125 1 calc R U P Y 2
Cl55 Cl 1.329(2) 0.844(2) 0.1469(12) 0.103(11) Uiso 0.125 1 d D . P Y 2
Cl56 Cl 1.307(2) 0.7246(18) 0.1766(11) 0.108(9) Uiso 0.125 1 d D . P Y 2
C54S C 1.429(5) 0.818(5) 0.1393(19) 0.07(3) Uiso 0.075 1 d D . P Z 3
H54C H 1.428427 0.773858 0.142455 0.079 Uiso 0.075 1 calc R U P Z 3
H54D H 1.470160 0.821197 0.152143 0.079 Uiso 0.075 1 calc R U P Z 3
Cl57 Cl 1.337(3) 0.859(3) 0.1623(16) 0.104(13) Uiso 0.075 1 d D . P Z 3
Cl58 Cl 1.462(4) 0.837(3) 0.0930(17) 0.130(18) Uiso 0.075 1 d D . P Z 3
C81S C 0.658(13) 0.527(6) -0.080(3) 0.14(6) Uiso 0.1 1 d D . P A 1
H81O H 0.687570 0.483930 -0.084770 0.166 Uiso 0.1 1 d . U P B 1
H81N H 0.603950 0.527240 -0.069170 0.166 Uiso 0.1 1 d . U P C 1
Cl81 Cl 0.700(4) 0.544(3) -0.0457(16) 0.157(19) Uiso 0.1 1 d D . P A 1
Cl82 Cl 0.628(4) 0.524(3) -0.1214(15) 0.104(14) Uiso 0.065 1 d D . P A 1
Cl83 Cl 0.662(7) 0.599(5) -0.105(3) 0.10(2) Uiso 0.035 1 d D . P A 1
C82S C 0.623(4) 0.5616(17) -0.1510(14) 0.098(19) Uiso 0.1875 1 d D . P D 2
H82B H 0.680050 0.561420 -0.164690 0.118 Uiso 0.1875 1 d . U P E 2
H82C H 0.632170 0.518080 -0.144160 0.118 Uiso 0.1875 1 d . U P F 2
Cl84 Cl 0.6168(17) 0.6387(13) -0.1430(8) 0.106(7) Uiso 0.1425 1 d D . P D 2
Cl80 Cl 0.639(8) 0.585(7) -0.111(2) 0.13(4) Uiso 0.0425 1 d D . P D 2
Cl85 Cl 0.583(2) 0.5651(16) -0.1904(8) 0.099(8) Uiso 0.1225 1 d D . P D 2
Cl86 Cl 0.561(3) 0.553(2) -0.1792(14) 0.091(12) Uiso 0.0675 1 d D . P D 2
C83S C 0.642(8) 0.538(4) -0.1058(17) 0.06(3) Uiso 0.07 1 d D . P G 3
H83L H 0.649460 0.578880 -0.112400 0.077 Uiso 0.02 1 d . U P H 3
H83J H 0.584290 0.540480 -0.100550 0.077 Uiso 0.07 1 d . U P I 3
H83K H 0.661710 0.505900 -0.122290 0.077 Uiso 0.05 1 d . U P J 3
Cl87 Cl 0.678(6) 0.514(4) -0.064(2) 0.15(3) Uiso 0.07 1 d D . P G 3
Cl88 Cl 0.637(6) 0.616(4) -0.123(3) 0.06(2) Uiso 0.02 1 d D . P G 3
Cl89 Cl 0.635(3) 0.525(3) -0.1497(14) 0.077(11) Uiso 0.05 1 d D . P G 3
C91S C 1.427(5) 0.068(4) 0.014(3) 0.040(18) Uiso 0.065 1 d D . P K 1
H91A H 1.434743 0.055035 -0.010574 0.048 Uiso 0.065 1 calc R U P K 1
H91B H 1.379939 0.056104 0.027097 0.048 Uiso 0.065 1 calc R U P K 1
Cl91 Cl 1.400(4) 0.141(3) 0.0076(17) 0.102(14) Uiso 0.065 1 d . . P K 1
Cl92 Cl 1.506(4) 0.016(4) 0.033(2) 0.13(2) Uiso 0.065 1 d D . P K 1
C92S C 1.495(4) 0.061(3) 0.029(3) 0.05(2) Uiso 0.065 1 d D . P L -2
H92A H 1.537937 0.076968 0.012812 0.054 Uiso 0.065 1 calc R U P L -2
H92B H 1.494681 0.071847 0.053093 0.054 Uiso 0.065 1 calc R U P L -2
Cl93 Cl 1.405(3) 0.107(3) 0.0154(13) 0.082(10) Uiso 0.065 1 d D . P L -2
Cl94 Cl 1.526(6) -0.021(4) 0.031(3) 0.14(3) Uiso 0.065 1 d D . P L -2
Sb5G Sb 0.195(2) 0.6068(15) 0.1677(9) 0.142(11) Uiso 0.055 1 d G . P B 3
F51G F 0.193(5) 0.537(3) 0.147(2) 0.107(17) Uiso 0.055 1 d G . P B 3
F52G F 0.085(2) 0.634(4) 0.173(2) 0.107(17) Uiso 0.055 1 d G . P B 3
F53G F 0.186(5) 0.563(4) 0.2132(13) 0.107(17) Uiso 0.055 1 d G . P B 3
F54G F 0.203(5) 0.651(4) 0.1223(13) 0.107(17) Uiso 0.055 1 d G . P B 3
F55G F 0.304(2) 0.580(4) 0.163(2) 0.107(17) Uiso 0.055 1 d G . P B 3
F56G F 0.196(6) 0.677(3) 0.188(2) 0.107(17) Uiso 0.055 1 d G . P B 3
Sb5H Sb 0.1676(18) 0.6150(13) 0.1777(9) 0.110(7) Uiso 0.05 1 d G . P B 7
F51H F 0.247(5) 0.582(5) 0.141(2) 0.13(2) Uiso 0.05 1 d G . P B 7
F52H F 0.203(7) 0.545(4) 0.209(3) 0.13(2) Uiso 0.05 1 d G . P B 7
F53H F 0.235(6) 0.654(5) 0.191(3) 0.13(2) Uiso 0.05 1 d G . P B 7
F54H F 0.100(6) 0.576(5) 0.164(3) 0.13(2) Uiso 0.05 1 d G . P B 7
F55H F 0.132(7) 0.685(4) 0.146(3) 0.13(2) Uiso 0.05 1 d G . P B 7
F56H F 0.088(5) 0.648(5) 0.214(2) 0.13(2) Uiso 0.05 1 d G . P B 7
Sb5M Sb 0.157(2) 0.6234(16) 0.2010(10) 0.158(11) Uiso 0.05 1 d G . P B 2
F51M F 0.240(4) 0.603(3) 0.1631(14) 0.13(2) Uiso 0.05 1 d G . P B 2
F52M F 0.140(5) 0.7073(17) 0.183(3) 0.13(2) Uiso 0.05 1 d G . P B 2
F53M F 0.227(5) 0.633(4) 0.229(2) 0.13(2) Uiso 0.05 1 d G . P B 2
F54M F 0.086(4) 0.614(4) 0.173(3) 0.13(2) Uiso 0.05 1 d G . P B 2
F55M F 0.174(4) 0.5394(19) 0.2187(17) 0.13(2) Uiso 0.05 1 d G . P B 2
F56M F 0.073(4) 0.644(4) 0.239(2) 0.13(2) Uiso 0.05 1 d G . P B 2
Sb5K Sb 0.215(2) 0.5710(16) 0.1954(11) 0.110(11) Uiso 0.025 1 d G . P . .
Sb5L Sb 0.168(3) 0.5847(19) 0.1895(11) 0.122(18) Uiso 0.02 1 d G . P B .


_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
Se2 P13I 2.033(17) . ?
Se2 P2I 2.153(6) . ?
Se2 P1I 2.355(7) . ?
Se2 P11I 2.391(14) . ?
Se3 P12I 2.064(16) . ?
Se3 P3I 2.170(6) . ?
Se3 P1I 2.266(5) . ?
Se3 P11I 2.529(15) . ?
Se1 P1I 2.283(6) . ?
Se1 P4I 2.365(4) . ?
P2I P4I 2.114(6) . ?
P2I P3I 2.180(8) . ?
P3I P4I 2.165(6) . ?
P11I Se1I 2.336(14) . ?
P12I P14I 1.980(12) . ?
P12I P13I 2.156(17) . ?
P13I P14I 1.963(13) . ?
P14I Se1I 2.365(4) . ?
Ta1 C1C 2.130(19) . ?
Ta1 C2C 2.146(18) . ?
Ta1 C13 2.371(15) . ?
Ta1 C14 2.379(15) . ?
Ta1 C11 2.399(15) . ?
Ta1 C15 2.409(14) . ?
Ta1 C12 2.433(14) . ?
Ta1 P3 2.597(3) . ?
Ta1 P2 2.602(4) . ?
Ta1 P1 2.614(3) . ?
Ta1 P4 2.643(3) . ?
Ta2 C4C 1.97(5) . ?
Ta2 C3C 2.05(5) . ?
Ta2 C22 2.39(4) . ?
Ta2 C21 2.39(4) . ?
Ta2 C23 2.39(3) . ?
Ta2 C25 2.40(3) . ?
Ta2 C24 2.40(3) . ?
Ta2 P5 2.58(3) . ?
Ta2 P6 2.61(3) . ?
Ta2 P7 2.62(3) . ?
Ta2 P8 2.64(3) . ?
C3C O3C 1.22(6) . ?
C4C O4C 1.24(4) . ?
Ta2A C3CC 2.18(5) . ?
Ta2A C22 2.39(4) . ?
Ta2A C21 2.39(4) . ?
Ta2A C4CC 2.39(6) . ?
Ta2A C23 2.39(3) . ?
Ta2A C25 2.40(3) . ?
Ta2A C24 2.40(3) . ?
Ta2A P5 2.58(3) . ?
Ta2A P6 2.61(3) . ?
Ta2A P7 2.62(3) . ?
Ta2A P8 2.64(3) . ?
C3CC O3CC 1.06(8) . ?
C4CC O4CC 0.94(4) . ?
C21 C25 1.4200 . ?
C21 C22 1.4200 . ?
C21 C211 1.565(17) . ?
C22 C23 1.4200 . ?
C22 H22 0.9500 . ?
C23 C24 1.4200 . ?
C23 C231 1.76(4) . ?
C24 C25 1.4200 . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C211 C213 1.39(4) . ?
C211 C214 1.52(5) . ?
C211 C212 1.560(18) . ?
C212 H21D 0.9800 . ?
C212 H21E 0.9800 . ?
C212 H21F 0.9800 . ?
C213 H21A 0.9800 . ?
C213 H21B 0.9800 . ?
C213 H21C 0.9800 . ?
C214 H21G 0.9800 . ?
C214 H21H 0.9800 . ?
C214 H21I 0.9800 . ?
C231 C232 1.53(4) . ?
C231 C233 1.561(19) . ?
C231 C234 1.90(5) . ?
C232 H23K 0.9800 . ?
C232 H23L 0.9800 . ?
C232 H23M 0.9800 . ?
C234 H23D 0.9800 . ?
C234 H23E 0.9800 . ?
C234 H23F 0.9800 . ?
C233 H23A 0.9800 . ?
C233 H23B 0.9800 . ?
C233 H23C 0.9800 . ?
Ta3 C5C 2.100(17) . ?
Ta3 C6C 2.135(19) . ?
Ta3 C35 2.370(16) . ?
Ta3 C32 2.394(12) . ?
Ta3 C33 2.405(13) . ?
Ta3 C34 2.408(14) . ?
Ta3 C31 2.410(15) . ?
Ta3 P9 2.598(4) . ?
Ta3 P11 2.605(4) . ?
Ta3 P10 2.635(4) . ?
Ta3 P12 2.647(3) . ?
Ta4 C8C 2.076(14) . ?
Ta4 C7C 2.15(2) . ?
Ta4 C42 2.372(13) . ?
Ta4 C43 2.394(12) . ?
Ta4 C44 2.396(13) . ?
Ta4 C41 2.409(16) . ?
Ta4 C45 2.412(14) . ?
Ta4 P15 2.596(3) . ?
Ta4 P13 2.620(4) . ?
Ta4 P16 2.641(4) . ?
Ta4 P14 2.649(3) . ?
Ta5 C10C 2.080(14) . ?
Ta5 C9C 2.129(16) . ?
Ta5 C54 2.372(14) . ?
Ta5 C52 2.380(12) . ?
Ta5 C53 2.396(12) . ?
Ta5 C55 2.406(14) . ?
Ta5 C51 2.412(13) . ?
Ta5 P17 2.595(4) . ?
Ta5 P18 2.605(3) . ?
Ta5 P19 2.634(3) . ?
Ta5 P20 2.676(4) . ?
Ta6 C12C 2.099(11) . ?
Ta6 C11C 2.110(11) . ?
Ta6 C62 2.381(8) . ?
Ta6 C64 2.381(11) . ?
Ta6 C63 2.382(8) . ?
Ta6 C61 2.397(9) . ?
Ta6 C65 2.409(11) . ?
Ta6 P21 2.601(3) . ?
Ta6 P23 2.608(3) . ?
Ta6 P24 2.638(3) . ?
Ta6 P22 2.650(3) . ?
Ta7 C14C 2.079(14) . ?
Ta7 C13C 2.093(13) . ?
Ta7 C71 2.382(10) . ?
Ta7 C72 2.395(9) . ?
Ta7 C74 2.405(12) . ?
Ta7 C73 2.409(11) . ?
Ta7 C75 2.410(11) . ?
Ta7 P27 2.615(3) . ?
Ta7 P25 2.621(3) . ?
Ta7 P26 2.638(3) . ?
Ta7 P28 2.659(3) . ?
Ta8 C16C 2.129(14) . ?
Ta8 C15C 2.137(17) . ?
Ta8 C82 2.359(12) . ?
Ta8 C85 2.401(12) . ?
Ta8 C84 2.404(13) . ?
Ta8 C81 2.415(14) . ?
Ta8 C83 2.415(12) . ?
Ta8 P29 2.594(3) . ?
Ta8 P31 2.609(3) . ?
Ta8 P32 2.640(3) . ?
Ta8 P30 2.641(3) . ?
Ag1 N11L 2.179(17) . ?
Ag1 P17 2.494(4) . ?
Ag1 P5 2.502(5) . ?
Ag1 P4 2.553(3) . ?
Ag2 N21L 2.248(18) . ?
Ag2 P9 2.479(4) . ?
Ag2 P6 2.496(4) . ?
Ag2 P3 2.501(4) . ?
Ag3 N22L 2.253(16) 2_765 ?
Ag3 P13 2.498(4) . ?
Ag3 P7 2.507(4) . ?
Ag3 P12 2.583(3) . ?
Ag4 N12L 2.253(14) 1_545 ?
Ag4 P11 2.478(4) . ?
Ag4 P31 2.525(3) . ?
Ag4 P14 2.561(3) . ?
Ag5 N31L 2.230(14) . ?
Ag5 P15 2.479(4) . ?
Ag5 P30 2.528(3) . ?
Ag5 P27 2.531(3) . ?
Ag6 N32L 2.241(11) 1_565 ?
Ag6 P21 2.485(3) . ?
Ag6 P18 2.503(3) . ?
Ag6 P2 2.527(4) . ?
Ag7 N41L 2.305(14) . ?
Ag7 P25 2.485(3) . ?
Ag7 P19 2.496(3) . ?
Ag7 P22 2.574(3) . ?
Ag8 N51L 2.277(12) . ?
Ag8 P23 2.477(3) . ?
Ag8 P29 2.485(3) . ?
Ag8 P28 2.575(3) . ?
P1 P2 2.150(5) . ?
P1 P3 2.151(5) . ?
P2 P4 2.160(5) . ?
P3 P4 2.154(5) . ?
P5 P8 2.151(7) . ?
P5 P6 2.161(6) . ?
P6 P7 2.145(5) . ?
P7 P8 2.174(6) . ?
P9 P10 2.143(5) . ?
P9 P12 2.152(5) . ?
P10 P11 2.151(5) . ?
P11 P12 2.161(5) . ?
P13 P14 2.147(5) . ?
P13 P16 2.161(5) . ?
P14 P15 2.157(5) . ?
P15 P16 2.155(5) . ?
P17 P18 2.131(5) . ?
P17 P20 2.158(5) . ?
P18 P19 2.153(5) . ?
P19 P20 2.177(5) . ?
P21 P22 2.165(4) . ?
P21 P24 2.165(4) . ?
P22 P23 2.154(4) . ?
P23 P24 2.161(4) . ?
P25 P28 2.150(4) . ?
P25 P26 2.158(5) . ?
P26 P27 2.141(4) . ?
P27 P28 2.169(5) . ?
P29 P30 2.138(4) . ?
P29 P32 2.158(4) . ?
P30 P31 2.141(4) . ?
P31 P32 2.171(4) . ?
C1C O1C 1.10(2) . ?
C2C O2C 1.10(2) . ?
C5C O5C 1.154(19) . ?
C6C O6D 1.01(8) . ?
C6C O6C 1.21(5) . ?
O6C O6D 0.60(8) . ?
C7C O7C 1.07(2) . ?
C8C O8C 1.135(18) . ?
C9C O9C 1.104(18) . ?
C10C O10C 1.182(17) . ?
C11C O11C 1.113(14) . ?
C12C O12C 1.137(13) . ?
C13C O13C 1.135(15) . ?
C14C O14C 1.173(17) . ?
C15C O15C 1.108(18) . ?
C16C O16C 1.104(16) . ?
N11L C11L 1.05(2) . ?
C11L C12L 1.59(4) . ?
C12L C13L 1.51(5) . ?
C12L H12A 0.9900 . ?
C12L H12B 0.9900 . ?
C13L C14M 1.527(19) . ?
C13L C14L 1.55(2) . ?
C13L H13A 0.9900 . ?
C13L H13B 0.9900 . ?
C14L C15L 1.53(2) . ?
C14L H14A 0.9900 . ?
C14L H14B 0.9900 . ?
C14M C15L 1.508(19) . ?
C14M H14C 0.9900 . ?
C14M H14D 0.9900 . ?
C15L C16M 1.516(19) . ?
C15L C16L 1.517(19) . ?
C15L H15B 0.9900 . ?
C15L H15C 0.9900 . ?
C15L H15D 0.9900 . ?
C15L H15E 0.9900 . ?
C16L C17L 1.55(2) . ?
C16L H16A 0.9900 . ?
C16L H16B 0.9900 . ?
C16M C17M 1.53(2) . ?
C16M H16C 0.9900 . ?
C16M H16D 0.9900 . ?
C17L C18L 1.26(6) . ?
C17L H17A 0.9900 . ?
C17L H17B 0.9900 . ?
C17M C18M 1.54(2) . ?
C17M H17C 0.9900 . ?
C17M H17D 0.9900 . ?
C18L C19L 1.55(2) . ?
C18L H18A 0.9900 . ?
C18L H18B 0.9900 . ?
C18M C19L 1.54(2) . ?
C18M H18C 0.9900 . ?
C18M H18D 0.9900 . ?
C19L N12L 1.09(2) . ?
N21L C21L 1.13(2) . ?
C21L C22M 1.535(19) . ?
C21L C22L 1.537(19) . ?
C24L C25L 1.541(18) . ?
C24L C23L 1.572(19) . ?
C24L C24M 1.579(19) . ?
C24L H24E 0.9900 . ?
C24L H24F 0.9900 . ?
C24L H24C 0.9900 . ?
C24L H24D 0.9900 . ?
C25L C26M 1.535(19) . ?
C25L C26L 1.537(19) . ?
C25L H25C 0.9900 . ?
C25L H25D 0.9900 . ?
C25L H25A 0.9900 . ?
C25L H25B 0.9900 . ?
C22L C23L 1.520(19) . ?
C22L H22A 0.9900 . ?
C22L H22B 0.9900 . ?
C23L H23G 0.9900 . ?
C23L H23H 0.9900 . ?
C26L C27L 1.557(19) . ?
C26L H26A 0.9900 . ?
C26L H26B 0.9900 . ?
C27L C28L 1.541(19) . ?
C27L H27A 0.9900 . ?
C27L H27B 0.9900 . ?
C28L C29L 1.556(19) . ?
C28L H28J 0.9900 . ?
C28L H28K 0.9900 . ?
C22M C23M 1.56(2) . ?
C22M H22C 0.9900 . ?
C22M H22D 0.9900 . ?
C23M C24M 1.564(19) . ?
C23M H23I 0.9900 . ?
C23M H23J 0.9900 . ?
C24M H24A 0.9900 . ?
C24M H24B 0.9900 . ?
C26M C27M 1.530(19) . ?
C26M H26C 0.9900 . ?
C26M H26D 0.9900 . ?
C27M C29L 1.565(19) . ?
C27M H27C 0.9900 . ?
C27M H27D 0.9900 . ?
C29L N22L 1.18(2) . ?
N31L C31L 1.184(19) . ?
C31L C32L 1.45(2) . ?
C32L C33L 1.45(3) . ?
C32L H32B 0.9900 . ?
C32L H32C 0.9900 . ?
C33L C34L 1.50(2) . ?
C33L H33A 0.9900 . ?
C33L H33B 0.9900 . ?
C34L C35L 1.57(3) . ?
C34L H34B 0.9900 . ?
C34L H34C 0.9900 . ?
C35L C36L 1.59(3) . ?
C35L H35B 0.9900 . ?
C35L H35C 0.9900 . ?
C36L C37L 1.27(3) . ?
C36L H36A 0.9900 . ?
C36L H36B 0.9900 . ?
C37L C38L 1.45(3) . ?
C37L C38M 1.64(8) . ?
C37L H37A 0.9900 . ?
C37L H37B 0.9900 . ?
C38L C39L 1.53(3) . ?
C38L H38A 0.9900 . ?
C38L H38B 0.9900 . ?
C38M C39L 1.91(8) . ?
C38M H38C 0.9900 . ?
C38M H38D 0.9900 . ?
C39L N32L 1.06(2) . ?
N41L C41L 1.11(2) . ?
C41L C42L 1.46(4) . ?
C41L C42M 1.54(2) . ?
C42L C43L 1.573(19) . ?
C42L H42A 0.9900 . ?
C42L H42B 0.9900 . ?
C42M C43M 1.54(2) . ?
C42M H42C 0.9900 . ?
C42M H42D 0.9900 . ?
C45L C44L 1.42(3) . ?
C45L C46L 1.512(17) . ?
C45L C44M 1.54(2) . ?
C45L H45B 0.9900 . ?
C45L H45C 0.9900 . ?
C45L H45D 0.9900 . ?
C45L H45E 0.9900 . ?
C46L C47L 1.509(18) . ?
C46L H46A 0.9900 . ?
C46L H46B 0.9900 . ?
C47L C48L 1.511(18) . ?
C47L C48M 1.52(2) . ?
C47L H47A 0.9900 . ?
C47L H47B 0.9900 . ?
C47L H47C 0.9900 . ?
C47L H47D 0.9900 . ?
C43L C44L 1.56(4) . ?
C43L H43A 0.9900 . ?
C43L H43B 0.9900 . ?
C44L H44A 0.9900 . ?
C44L H44B 0.9900 . ?
C48L C49L 1.541(19) . ?
C48L H48A 0.9900 . ?
C48L H48B 0.9900 . ?
C49L N42L 1.116(18) . ?
C43M C44M 1.53(2) . ?
C43M H43C 0.9900 . ?
C43M H43D 0.9900 . ?
C44M H44C 0.9900 . ?
C44M H44D 0.9900 . ?
C48M C49M 1.53(2) . ?
C48M H48C 0.9900 . ?
C48M H48D 0.9900 . ?
C49M N42L 1.094(19) . ?
N51L C51L 1.111(17) . ?
C51L C52L 1.45(3) . ?
C51L C56L 1.58(4) . ?
C52L C53L 1.53(4) . ?
C52L H52B 0.9900 . ?
C52L H52C 0.9900 . ?
C53L C54L 1.37(3) . ?
C53L H53A 0.9900 . ?
C53L H53B 0.9900 . ?
C54L C55L 1.534(17) . ?
C54L C56L 1.65(4) . ?
C54L H54B 0.9900 . ?
C54L H54E 0.9900 . ?
C55L C55L 1.36(3) 2_656 ?
C55L H55B 0.9900 . ?
C55L H55C 0.9900 . ?
C56L H56A 0.9900 . ?
C56L H56B 0.9900 . ?
C11 C12 1.45(2) . ?
C11 C111 1.50(2) . ?
C11 C15 1.51(3) . ?
C12 C13 1.45(2) . ?
C12 H12E 1.0000 . ?
C13 C14 1.37(3) . ?
C13 C131 1.57(3) . ?
C14 C15 1.32(3) . ?
C14 H14E 1.0000 . ?
C15 H15A 1.0000 . ?
C111 C112 1.51(3) . ?
C111 C114 1.52(3) . ?
C111 C113 1.55(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 C134 1.58(3) . ?
C131 C132 1.59(3) . ?
C131 C133 1.60(3) . ?
C132 H13C 0.9800 . ?
C132 H13D 0.9800 . ?
C132 H13E 0.9800 . ?
C133 H13F 0.9800 . ?
C133 H13G 0.9800 . ?
C133 H13H 0.9800 . ?
C134 H13I 0.9800 . ?
C134 H13J 0.9800 . ?
C134 H13K 0.9800 . ?
C31 C32 1.43(2) . ?
C31 C35 1.48(3) . ?
C31 C311 1.50(3) . ?
C32 C33 1.42(2) . ?
C32 H32A 1.0000 . ?
C33 C34 1.44(2) . ?
C33 C331 1.44(2) . ?
C34 C35 1.40(3) . ?
C34 H34A 1.0000 . ?
C35 H35A 1.0000 . ?
C311 C313 1.52(2) . ?
C311 C312 1.53(3) . ?
C311 C314 1.57(3) . ?
C312 H31A 0.9800 . ?
C312 H31B 0.9800 . ?
C312 H31C 0.9800 . ?
C313 H31D 0.9800 . ?
C313 H31E 0.9800 . ?
C313 H31F 0.9800 . ?
C314 H31G 0.9800 . ?
C314 H31H 0.9800 . ?
C314 H31I 0.9800 . ?
C331 C333 1.49(2) . ?
C331 C334 1.55(3) . ?
C331 C332 1.57(2) . ?
C332 H33C 0.9800 . ?
C332 H33D 0.9800 . ?
C332 H33E 0.9800 . ?
C333 H33F 0.9800 . ?
C333 H33G 0.9800 . ?
C333 H33H 0.9800 . ?
C334 H33I 0.9800 . ?
C334 H33J 0.9800 . ?
C334 H33K 0.9800 . ?
C41 C42 1.45(2) . ?
C41 C45 1.46(2) . ?
C41 C411 1.50(2) . ?
C42 C43 1.37(2) . ?
C42 H42E 1.0000 . ?
C43 C44 1.37(2) . ?
C43 C431 1.55(3) . ?
C44 C45 1.51(2) . ?
C44 H44E 1.0000 . ?
C45 H45A 1.0000 . ?
C411 C416 1.30(4) . ?
C411 C414 1.50(3) . ?
C411 C413 1.523(17) . ?
C411 C412 1.57(3) . ?
C411 C415 1.74(4) . ?
C414 H41A 0.9800 . ?
C414 H41B 0.9800 . ?
C414 H41C 0.9800 . ?
C412 H41D 0.9800 . ?
C412 H41E 0.9800 . ?
C412 H41F 0.9800 . ?
C413 H41G 0.9800 . ?
C413 H41H 0.9800 . ?
C413 H41I 0.9800 . ?
C415 H41J 0.9800 . ?
C415 H41K 0.9800 . ?
C415 H41L 0.9800 . ?
C416 H41M 0.9800 . ?
C416 H41N 0.9800 . ?
C416 H41O 0.9800 . ?
C431 C432 1.46(2) . ?
C431 C433 1.48(3) . ?
C431 C434 1.65(3) . ?
C432 H43N 0.9800 . ?
C432 H43O 0.9800 . ?
C432 H43P 0.9800 . ?
C433 H43G 0.9800 . ?
C433 H43E 0.9800 . ?
C433 H43F 0.9800 . ?
C434 H43J 0.9800 . ?
C434 H43H 0.9800 . ?
C434 H43I 0.9800 . ?
C51 C52 1.40(2) . ?
C51 C55 1.42(2) . ?
C51 C511 1.56(2) . ?
C52 C53 1.41(2) . ?
C52 H52A 1.0000 . ?
C53 C54 1.40(3) . ?
C53 C531 1.59(2) . ?
C54 C55 1.43(3) . ?
C54 H54A 1.0000 . ?
C55 H55A 1.0000 . ?
C511 C513 1.47(3) . ?
C511 C514 1.56(2) . ?
C511 C512 1.62(3) . ?
C512 H51B 0.9800 . ?
C512 H51C 0.9800 . ?
C512 H51D 0.9800 . ?
C513 H51E 0.9800 . ?
C513 H51F 0.9800 . ?
C513 H51G 0.9800 . ?
C514 H51H 0.9800 . ?
C514 H51I 0.9800 . ?
C514 H51J 0.9800 . ?
C531 C532 1.45(3) . ?
C531 C533 1.53(2) . ?
C531 C534 1.67(3) . ?
C532 H53C 0.9800 . ?
C532 H53D 0.9800 . ?
C532 H53E 0.9800 . ?
C533 H53F 0.9800 . ?
C533 H53G 0.9800 . ?
C533 H53H 0.9800 . ?
C534 H53I 0.9800 . ?
C534 H53J 0.9800 . ?
C534 H53K 0.9800 . ?
C61 C62 1.425(16) . ?
C61 C65 1.437(16) . ?
C61 C611 1.516(14) . ?
C62 C63 1.437(14) . ?
C62 H62A 1.0000 . ?
C63 C64 1.367(17) . ?
C63 C631 1.536(15) . ?
C64 C65 1.418(17) . ?
C64 H64A 1.0000 . ?
C65 H65A 1.0000 . ?
C611 C614 1.490(16) . ?
C611 C612 1.503(17) . ?
C611 C613 1.559(18) . ?
C612 H61A 0.9800 . ?
C612 H61B 0.9800 . ?
C612 H61C 0.9800 . ?
C613 H61D 0.9800 . ?
C613 H61E 0.9800 . ?
C613 H61F 0.9800 . ?
C614 H61G 0.9800 . ?
C614 H61H 0.9800 . ?
C614 H61I 0.9800 . ?
C631 C633 1.541(16) . ?
C631 C632 1.552(19) . ?
C631 C634 1.556(16) . ?
C632 H63A 0.9800 . ?
C632 H63B 0.9800 . ?
C632 H63C 0.9800 . ?
C633 H63D 0.9800 . ?
C633 H63E 0.9800 . ?
C633 H63F 0.9800 . ?
C634 H63G 0.9800 . ?
C634 H63H 0.9800 . ?
C634 H63I 0.9800 . ?
C71 C72 1.397(18) . ?
C71 C75 1.403(18) . ?
C71 C711 1.561(17) . ?
C72 C73 1.417(18) . ?
C72 H72A 1.0000 . ?
C73 C74 1.443(18) . ?
C73 C731 1.534(19) . ?
C74 C75 1.42(2) . ?
C74 H74A 1.0000 . ?
C75 H75A 1.0000 . ?
C711 C713 1.55(2) . ?
C711 C712 1.559(15) . ?
C711 C714 1.560(17) . ?
C712 H71A 0.9800 . ?
C712 H71B 0.9800 . ?
C712 H71C 0.9800 . ?
C713 H71D 0.9800 . ?
C713 H71E 0.9800 . ?
C713 H71F 0.9800 . ?
C714 H71G 0.9800 . ?
C714 H71H 0.9800 . ?
C714 H71I 0.9800 . ?
C731 C734 1.49(2) . ?
C731 C732 1.557(19) . ?
C731 C733 1.56(2) . ?
C732 H73G 0.9800 . ?
C732 H73H 0.9800 . ?
C732 H73I 0.9800 . ?
C733 H73A 0.9800 . ?
C733 H73B 0.9800 . ?
C733 H73C 0.9800 . ?
C734 H73D 0.9800 . ?
C734 H73E 0.9800 . ?
C734 H73F 0.9800 . ?
C81 C85 1.40(2) . ?
C81 C82 1.42(2) . ?
C81 C811 1.54(2) . ?
C82 C83 1.40(2) . ?
C82 H82A 1.0000 . ?
C83 C84 1.43(2) . ?
C83 C831 1.543(19) . ?
C84 C85 1.44(2) . ?
C84 H84A 1.0000 . ?
C85 H85A 1.0000 . ?
C811 C814 1.39(4) . ?
C811 C812 1.42(3) . ?
C811 C813 1.44(4) . ?
C811 C815 1.53(2) . ?
C812 H81A 0.9800 . ?
C812 H81B 0.9800 . ?
C812 H81C 0.9800 . ?
C813 H81D 0.9800 . ?
C813 H81E 0.9800 . ?
C813 H81F 0.9800 . ?
C815 H81K 0.9800 . ?
C815 H81L 0.9800 . ?
C815 H81M 0.9800 . ?
C814 H81G 0.9800 . ?
C814 H81H 0.9800 . ?
C814 H81I 0.9800 . ?
C831 C834 1.36(3) . ?
C831 C833 1.53(3) . ?
C831 C832 1.539(19) . ?
C832 H83A 0.9800 . ?
C832 H83B 0.9800 . ?
C832 H83C 0.9800 . ?
C833 H83D 0.9800 . ?
C833 H83E 0.9800 . ?
C833 H83F 0.9800 . ?
C834 H83G 0.9800 . ?
C834 H83H 0.9800 . ?
C834 H83I 0.9800 . ?
Sb1 F12 1.8716 . ?
Sb1 F14 1.8720 . ?
Sb1 F11 1.8721 . ?
Sb1 F13 1.8722 . ?
Sb1 F16 1.8725 . ?
Sb1 F15 1.8734 . ?
Sb1A F16A 1.8715 . ?
Sb1A F15A 1.8718 . ?
Sb1A F13A 1.8722 . ?
Sb1A F14A 1.8723 . ?
Sb1A F11A 1.8725 . ?
Sb1A F12A 1.8726 . ?
Sb1C F13C 1.8712 . ?
Sb1C F11C 1.8713 . ?
Sb1C F12C 1.8721 . ?
Sb1C F15C 1.8724 . ?
Sb1C F16C 1.8726 . ?
Sb1C F14C 1.8726 . ?
C11S Cl18 1.47(9) . ?
C11S Cl19 2.06(9) . ?
C11S H11J 0.9900 . ?
C11S H11K 0.9900 . ?
Sb1B F16B 1.8713 . ?
Sb1B F11B 1.8714 . ?
Sb1B F12B 1.8717 . ?
Sb1B F13B 1.8721 . ?
Sb1B F15B 1.8724 . ?
Sb1B F14B 1.8728 . ?
Sb1D F16D 1.8714 . ?
Sb1D F13D 1.8718 . ?
Sb1D F11D 1.8719 . ?
Sb1D F15D 1.8723 . ?
Sb1D F14D 1.8725 . ?
Sb1D F12D 1.8727 . ?
Sb1E F13E 1.8718 . ?
Sb1E F11E 1.8719 . ?
Sb1E F16E 1.8722 . ?
Sb1E F15E 1.8723 . ?
Sb1E F12E 1.8724 . ?
Sb1E F14E 1.8726 . ?
Sb1F F12F 1.8712 . ?
Sb1F F13F 1.8714 . ?
Sb1F F11F 1.8719 . ?
Sb1F F14F 1.8724 . ?
Sb1F F15F 1.8725 . ?
Sb1F F16F 1.8726 . ?
Sb1L F15L 1.8718 . ?
Sb1L F14L 1.8719 . ?
Sb1L F11L 1.8720 . ?
Sb1L F12L 1.8721 . ?
Sb1L F13L 1.8721 . ?
Sb1L F16L 1.8723 . ?
F13L F13L 1.45(19) 2_775 ?
Sb1M Sb1K 0.73(5) . ?
Sb1M Sb1N 1.01(8) . ?
Sb1M F12M 1.8720 . ?
Sb1M F15M 1.8720 . ?
Sb1M F14M 1.8720 . ?
Sb1M F11M 1.8720 . ?
Sb1M F16M 1.8720 . ?
Sb1M F13M 1.8720 . ?
F11M Sb1K 1.78(5) . ?
F13M Sb1N 1.63(7) . ?
F13M Sb1K 1.90(5) . ?
F14M Sb1K 2.11(5) . ?
F14M Sb1N 2.53(8) . ?
F15M Sb1K 1.22(5) . ?
F15M Sb1N 1.56(7) . ?
F16M Sb1N 1.41(8) . ?
F16M Sb1K 2.21(6) . ?
Sb1K Sb1N 1.00(8) . ?
Sb21 F212 1.8719 . ?
Sb21 F214 1.8720 . ?
Sb21 F211 1.8720 . ?
Sb21 F216 1.8720 . ?
Sb21 F215 1.8720 . ?
Sb21 F213 1.8721 . ?
Sb2 F23 1.8710 . ?
Sb2 F22 1.8721 . ?
Sb2 F25 1.8721 . ?
Sb2 F21 1.8722 . ?
Sb2 F24 1.8722 . ?
Sb2 F26 1.8726 . ?
Sb2A F25A 1.8712 . ?
Sb2A F26A 1.8715 . ?
Sb2A F23A 1.8715 . ?
Sb2A F22A 1.8718 . ?
Sb2A F21A 1.8724 . ?
Sb2A F24A 1.8727 . ?
Sb2B F24B 1.8717 . ?
Sb2B F26B 1.8717 . ?
Sb2B F21B 1.8719 . ?
Sb2B F23B 1.8719 . ?
Sb2B F25B 1.8719 . ?
Sb2B F22B 1.8723 . ?
Sb2D F26D 1.8715 . ?
Sb2D F24D 1.8716 . ?
Sb2D F25D 1.8717 . ?
Sb2D F22D 1.8719 . ?
Sb2D F23D 1.8720 . ?
Sb2D F21D 1.8726 . ?
Sb2E F22E 1.8718 . ?
Sb2E F23E 1.8719 . ?
Sb2E F25E 1.8720 . ?
Sb2E F26E 1.8721 . ?
Sb2E F24E 1.8723 . ?
Sb2E F21E 1.8726 . ?
Sb2F F21F 1.8719 . ?
Sb2F F26F 1.8719 . ?
Sb2F F25F 1.8720 . ?
Sb2F F22F 1.8720 . ?
Sb2F F23F 1.8721 . ?
Sb2F F24F 1.8721 . ?
Sb3 F35 1.8710 . ?
Sb3 F36 1.8718 . ?
Sb3 F34 1.8719 . ?
Sb3 F33 1.8723 . ?
Sb3 F31 1.8724 . ?
Sb3 F32 1.8728 . ?
Sb3A F33A 1.8719 . ?
Sb3A F31A 1.8719 . ?
Sb3A F34A 1.8721 . ?
Sb3A F35A 1.8722 . ?
Sb3A F36A 1.8724 . ?
Sb3A F32A 1.8727 . ?
Sb3B F33B 1.8711 . ?
Sb3B F36B 1.8717 . ?
Sb3B F35B 1.8718 . ?
Sb3B F32B 1.8719 . ?
Sb3B F31B 1.8722 . ?
Sb3B F34B 1.8723 . ?
Sb4 F44 1.796(13) . ?
Sb4 F42 1.810(16) . ?
Sb4 F43 1.824(19) . ?
Sb4 F45 1.872(10) . ?
Sb4 F41 1.876(9) . ?
Sb4 F46 1.878(17) . ?
Sb4A F45A 1.8709 . ?
Sb4A F43A 1.8721 . ?
Sb4A F41A 1.8722 . ?
Sb4A F44A 1.8722 . ?
Sb4A F46A 1.8722 . ?
Sb4A F42A 1.8724 . ?
Sb5 F53 1.8715 . ?
Sb5 F55 1.8715 . ?
Sb5 F52 1.8716 . ?
Sb5 F51 1.8718 . ?
Sb5 F54 1.8723 . ?
Sb5 F56 1.8726 . ?
Sb5A F55A 1.8718 . ?
Sb5A F52A 1.8719 . ?
Sb5A F53A 1.8722 . ?
Sb5A F51A 1.8723 . ?
Sb5A F54A 1.8724 . ?
Sb5A F56A 1.8725 . ?
Sb5B F54B 1.8714 . ?
Sb5B F55B 1.8716 . ?
Sb5B F53B 1.8719 . ?
Sb5B F51B 1.8719 . ?
Sb5B F52B 1.8725 . ?
Sb5B F56B 1.8727 . ?
Sb5D F54D 1.8715 . ?
Sb5D F52D 1.8717 . ?
Sb5D F51D 1.8717 . ?
Sb5D F56D 1.8721 . ?
Sb5D F55D 1.8723 . ?
Sb5D F53D 1.8725 . ?
Sb5F F51F 1.8713 . ?
Sb5F F53F 1.8718 . ?
Sb5F F52F 1.8718 . ?
Sb5F F55F 1.8720 . ?
Sb5F F54F 1.8721 . ?
Sb5F F56F 1.8723 . ?
F52F Sb5L 1.72(8) . ?
F52F Sb5K 2.11(6) . ?
Sb5C F56C 1.8712 . ?
Sb5C F55C 1.8718 . ?
Sb5C F52C 1.8719 . ?
Sb5C F54C 1.8719 . ?
Sb5C F51C 1.8720 . ?
Sb5C F53C 1.8722 . ?
Sb6 F65 1.857(11) . ?
Sb6 F66 1.864(11) . ?
Sb6 F62 1.864(10) . ?
Sb6 F61 1.874(10) . ?
Sb6 F64 1.877(11) . ?
Sb6 F63 1.888(11) . ?
Sb7 F75B 1.39(8) . ?
Sb7 F73B 1.48(8) . ?
Sb7 F71 1.86(4) . ?
Sb7 F71 1.86(4) 2_666 ?
Sb7 Sb7B 1.86(2) . ?
Sb7 F73 1.87(4) 2_666 ?
Sb7 F73 1.87(4) . ?
Sb7 F72 2.06(3) . ?
Sb7 F72 2.06(3) 2_666 ?
Sb7 F76B 2.54(6) . ?
F73 F73B 1.08(5) . ?
Sb7B F74B 1.8714 . ?
Sb7B F76B 1.8717 . ?
Sb7B F75B 1.8719 . ?
Sb7B F73B 1.8720 . ?
Sb7B F71B 1.8721 . ?
Sb7B F72B 1.8723 . ?
Sb8 F85A 1.79(2) . ?
Sb8 F83 1.83(3) . ?
Sb8 F86A 1.87(2) . ?
Sb8 F84 1.87(3) . ?
Sb8 F83A 1.88(3) . ?
Sb8 F81 1.880(8) . ?
Sb8 F84A 1.88(3) . ?
Sb8 F82 1.884(7) . ?
Sb8 F85 1.91(2) . ?
Sb8 F86 1.97(2) . ?
Sb9 F95 0.89(3) 2_765 ?
Sb9 F93 1.8716 . ?
Sb9 F91 1.8717 . ?
Sb9 F92 1.8720 . ?
Sb9 F95 1.8722 . ?
Sb9 F94 1.8724 . ?
Sb9 F96 1.8725 . ?
Sb9 Sb9 2.72(3) 2_765 ?
F94 F95 1.76(7) 2_765 ?
F95 F95 1.09(5) 2_765 ?
Sb9A Sb9A 0.86(5) 2_765 ?
Sb9A F94A 1.09(5) 2_765 ?
Sb9A F95A 1.82(8) 2_765 ?
Sb9A F96A 1.8711 . ?
Sb9A F95A 1.8718 . ?
Sb9A F93A 1.8719 . ?
Sb9A F94A 1.8721 . ?
Sb9A F92A 1.8721 . ?
Sb9A F91A 1.8728 . ?
Sb9A F91A 1.99(7) 2_765 ?
Sb9A F96A 2.13(5) 2_765 ?
Sb9A F92A 2.28(9) 2_765 ?
F91A F96A 0.86(17) 2_765 ?
F92A F95A 0.86(16) 2_765 ?
F93A F94A 0.86(7) 2_765 ?
Sb9B F93B 1.7984 . ?
Sb9B F93B 1.7984 2_765 ?
Sb9B F91B 1.8301 2_765 ?
Sb9B F91B 1.8302 . ?
Sb9B F92B 1.8469 2_765 ?
Sb9B F92B 1.8469 . ?
Sb9B F95B 1.9009 . ?
Sb9B F95B 1.9009 2_765 ?
Sb9B F96B 1.9177 . ?
Sb9B F96B 1.9177 2_765 ?
Sb9B F94B 1.9470 2_765 ?
Sb9B F94B 1.9471 . ?
F91B F96B 0.18(13) 2_765 ?
F92B F95B 0.18(15) 2_765 ?
F93B F94B 0.18(9) 2_765 ?
Sb11 F114 1.8710 . ?
Sb11 F112 1.8714 . ?
Sb11 F115 1.8722 . ?
Sb11 F116 1.8722 . ?
Sb11 F111 1.8725 . ?
Sb11 F113 1.8726 . ?
Sb12 F125 1.8717 . ?
Sb12 F126 1.8718 . ?
Sb12 F122 1.8723 . ?
Sb12 F123 1.8724 . ?
Sb12 F121 1.8727 . ?
Sb12 F124 1.8730 . ?
F125 F51M 1.64(10) . ?
Sb10 F101 1.8715 . ?
Sb10 F105 1.8716 . ?
Sb10 F104 1.8719 . ?
Sb10 F103 1.8720 . ?
Sb10 F106 1.8726 . ?
Sb10 F102 1.8729 . ?
Sb13 F132 1.21(9) . ?
Sb13 F133 2.20(10) . ?
F131 F133 0.71(6) . ?
Sb14 F143 1.8719 . ?
Sb14 F144 1.8719 . ?
Sb14 F145 1.8720 . ?
Sb14 F142 1.8720 . ?
Sb14 F141 1.8721 . ?
Sb14 F146 1.8721 . ?
Sb15 F155 1.8718 . ?
Sb15 F152 1.8718 . ?
Sb15 F151 1.8720 . ?
Sb15 F153 1.8720 . ?
Sb15 F156 1.8721 . ?
Sb15 F154 1.8721 . ?
C1S Cl11 1.72(2) . ?
C1S Cl13 1.73(2) . ?
C1S Cl15 1.75(2) . ?
C1S Cl16 1.767(19) . ?
C1S Cl14 1.81(3) . ?
C1S Cl12 1.92(2) . ?
C1S H1SE 0.9900 . ?
C1S H1SF 0.9900 . ?
C1S H1SC 0.9900 . ?
C1S H1SD 0.9900 . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
C2S Cl22 1.72(3) . ?
C2S Cl21 1.79(3) . ?
C2S H2SA 0.9900 . ?
C2S H2SB 0.9900 . ?
C32S Cl34 1.47(6) . ?
C32S Cl33 1.97(5) . ?
C32S H32D 0.9900 . ?
C32S H32E 0.9900 . ?
C31S Cl32 1.77(2) . ?
C31S Cl31 1.78(2) . ?
C31S H31L 0.9900 . ?
C31S H31M 0.9900 . ?
C4S Cl44 1.59(3) . ?
C4S Cl45 1.73(9) . ?
C4S Cl43 1.75(4) . ?
C4S Cl46 1.767(18) . ?
C4S Cl42 1.91(3) . ?
C4S Cl41 1.91(3) . ?
C4S H4SA 0.9900 . ?
C4S H4SB 0.9900 . ?
C51S Cl52 1.70(11) . ?
C51S Cl51 1.77(2) . ?
C51S H51A 0.9900 . ?
C51S H51K 0.9900 . ?
C52S Cl54 1.78(2) . ?
C52S Cl53 1.78(2) . ?
C52S H52D 0.9900 . ?
C52S H52E 0.9900 . ?
C53S Cl56 1.78(2) . ?
C53S Cl55 1.78(2) . ?
C53S H53L 0.9900 . ?
C53S H53M 0.9900 . ?
C54S Cl57 1.78(2) . ?
C54S Cl58 1.78(2) . ?
C54S H54C 0.9900 . ?
C54S H54D 0.9900 . ?
C81S Cl83 1.78(2) . ?
C81S Cl82 1.78(2) . ?
C81S Cl81 1.78(2) . ?
C81S H81O 0.9819 . ?
C81S H81N 0.9763 . ?
Cl82 Cl83 2.17(13) . ?
C82S Cl86 1.76(2) . ?
C82S Cl80 1.78(2) . ?
C82S Cl84 1.78(2) . ?
C82S Cl85 1.79(2) . ?
C82S H82B 1.0469 . ?
C82S H82C 0.9522 . ?
Cl84 Cl80 1.60(14) . ?
Cl85 Cl86 0.60(5) . ?
C83S Cl88 1.78(2) . ?
C83S Cl89 1.78(2) . ?
C83S Cl87 1.78(2) . ?
C83S H83L 0.9634 . ?
C83S H83J 0.9997 . ?
C83S H83K 0.9741 . ?
Cl88 Cl89 2.44(11) . ?
Cl88 H83L 0.8760 . ?
Cl89 H83K 1.2098 . ?
C91S Cl91 1.57(10) . ?
C91S Cl92 1.78(2) . ?
C91S H91A 0.9900 . ?
C91S H91B 0.9900 . ?
C92S Cl94 1.78(2) . ?
C92S Cl93 1.78(2) . ?
C92S H92A 0.9900 . ?
C92S H92B 0.9900 . ?
Sb5G Sb5L 1.01(5) . ?
Sb5G Sb5K 1.28(5) . ?
Sb5G F54G 1.8718 . ?
Sb5G F52G 1.8719 . ?
Sb5G F51G 1.8719 . ?
Sb5G F55G 1.8720 . ?
Sb5G F56G 1.8720 . ?
Sb5G F53G 1.8721 . ?
F51G Sb5L 1.99(7) . ?
F51G Sb5K 2.24(8) . ?
F52G Sb5L 1.76(7) . ?
F53G Sb5K 0.80(7) . ?
F53G Sb5L 1.04(6) . ?
F55G Sb5K 1.87(7) . ?
F55G Sb5L 2.44(6) . ?
F56G Sb5L 2.26(6) . ?
F56G Sb5K 2.29(7) . ?
Sb5H Sb5L 0.76(4) . ?
Sb5H Sb5K 1.31(5) . ?
Sb5H F53H 1.8711 . ?
Sb5H F52H 1.8713 . ?
Sb5H F56H 1.8721 . ?
Sb5H F51H 1.8723 . ?
Sb5H F55H 1.8727 . ?
Sb5H F54H 1.8728 . ?
F51H Sb5K 2.05(9) . ?
F51H Sb5L 2.11(7) . ?
F52H Sb5K 0.77(7) . ?
F52H Sb5L 1.19(6) . ?
F53H Sb5K 1.99(9) . ?
F53H Sb5L 2.25(6) . ?
F54H Sb5L 1.77(7) . ?
F54H Sb5K 2.55(8) . ?
F56H Sb5L 1.93(7) . ?
F56H Sb5K 2.50(8) . ?
Sb5M Sb5L 0.9909 . ?
Sb5M Sb5K 1.3516 . ?
Sb5M F53M 1.8714 . ?
Sb5M F56M 1.8717 . ?
Sb5M F54M 1.8721 . ?
Sb5M F52M 1.8722 . ?
Sb5M F55M 1.8725 . ?
Sb5M F51M 1.8727 . ?
F51M Sb5K 1.3946 . ?
F51M Sb5L 1.5869 . ?
F53M Sb5K 2.1068 . ?
F53M Sb5L 2.5167 . ?
F54M Sb5L 1.6233 . ?
F54M Sb5K 2.4940 . ?
F55M Sb5K 1.2959 . ?
F55M Sb5L 1.3950 . ?
F56M Sb5L 2.5407 . ?
Sb5K Sb5L 0.8759 . ?

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
P2I Se2 P1I 98.0(2) . . ?
P13I Se2 P11I 99.7(6) . . ?
P3I Se3 P1I 101.3(2) . . ?
P12I Se3 P11I 96.7(5) . . ?
P1I Se1 P4I 99.50(17) . . ?
Se3 P1I Se1 99.4(2) . . ?
Se3 P1I Se2 96.2(2) . . ?
Se1 P1I Se2 97.5(2) . . ?
P4I P2I Se2 112.9(3) . . ?
P4I P2I P3I 60.5(2) . . ?
Se2 P2I P3I 109.4(3) . . ?
P4I P3I Se3 111.2(3) . . ?
P4I P3I P2I 58.2(2) . . ?
Se3 P3I P2I 104.6(3) . . ?
P2I P4I P3I 61.2(2) . . ?
P2I P4I Se1 102.7(2) . . ?
P3I P4I Se1 102.4(2) . . ?
Se1I P11I Se2 97.6(5) . . ?
Se1I P11I Se3 94.6(6) . . ?
Se2 P11I Se3 88.7(5) . . ?
P14I P12I Se3 118.2(8) . . ?
P14I P12I P13I 56.5(5) . . ?
Se3 P12I P13I 111.2(9) . . ?
P14I P13I Se2 121.5(8) . . ?
P14I P13I P12I 57.2(5) . . ?
Se2 P13I P12I 105.1(8) . . ?
P13I P14I P12I 66.3(5) . . ?
P13I P14I Se1I 101.0(5) . . ?
P12I P14I Se1I 104.4(5) . . ?
P11I Se1I P14I 99.0(4) . . ?
C1C Ta1 C2C 88.1(6) . . ?
C1C Ta1 C13 89.3(7) . . ?
C2C Ta1 C13 133.9(7) . . ?
C1C Ta1 C14 77.7(7) . . ?
C2C Ta1 C14 101.7(6) . . ?
C13 Ta1 C14 33.4(6) . . ?
C1C Ta1 C11 136.0(7) . . ?
C2C Ta1 C11 93.5(5) . . ?
C13 Ta1 C11 58.9(5) . . ?
C14 Ta1 C11 58.9(6) . . ?
C1C Ta1 C15 101.0(7) . . ?
C2C Ta1 C15 80.9(7) . . ?
C13 Ta1 C15 54.5(7) . . ?
C14 Ta1 C15 31.9(6) . . ?
C11 Ta1 C15 36.7(6) . . ?
C1C Ta1 C12 124.2(6) . . ?
C2C Ta1 C12 128.3(6) . . ?
C13 Ta1 C12 35.0(6) . . ?
C14 Ta1 C12 56.8(6) . . ?
C11 Ta1 C12 34.8(5) . . ?
C15 Ta1 C12 56.1(6) . . ?
C1C Ta1 P3 74.7(5) . . ?
C2C Ta1 P3 122.0(4) . . ?
C13 Ta1 P3 101.4(5) . . ?
C14 Ta1 P3 126.5(5) . . ?
C11 Ta1 P3 136.4(4) . . ?
C15 Ta1 P3 155.9(6) . . ?
C12 Ta1 P3 106.1(4) . . ?
C1C Ta1 P2 123.9(5) . . ?
C2C Ta1 P2 73.5(4) . . ?
C13 Ta1 P2 140.6(5) . . ?
C14 Ta1 P2 156.9(5) . . ?
C11 Ta1 P2 98.4(4) . . ?
C15 Ta1 P2 126.3(5) . . ?
C12 Ta1 P2 107.8(4) . . ?
P3 Ta1 P2 72.03(12) . . ?
C1C Ta1 P1 123.3(5) . . ?
C2C Ta1 P1 122.2(4) . . ?
C13 Ta1 P1 97.1(5) . . ?
C14 Ta1 P1 129.6(5) . . ?
C11 Ta1 P1 92.4(4) . . ?
C15 Ta1 P1 128.1(5) . . ?
C12 Ta1 P1 75.8(4) . . ?
P3 Ta1 P1 48.76(12) . . ?
P2 Ta1 P1 48.69(11) . . ?
C1C Ta1 P4 75.5(5) . . ?
C2C Ta1 P4 73.7(4) . . ?
C13 Ta1 P4 148.8(4) . . ?
C14 Ta1 P4 153.0(5) . . ?
C11 Ta1 P4 146.6(4) . . ?
C15 Ta1 P4 154.4(6) . . ?
C12 Ta1 P4 146.3(4) . . ?
P3 Ta1 P4 48.53(11) . . ?
P2 Ta1 P4 48.63(11) . . ?
P1 Ta1 P4 70.47(11) . . ?
C4C Ta2 C3C 101(2) . . ?
C4C Ta2 C22 122.6(19) . . ?
C3C Ta2 C22 121(2) . . ?
C4C Ta2 C21 135.0(19) . . ?
C3C Ta2 C21 86.6(17) . . ?
C22 Ta2 C21 34.6(6) . . ?
C4C Ta2 C23 88.2(17) . . ?
C3C Ta2 C23 133.3(18) . . ?
C22 Ta2 C23 34.6(5) . . ?
C21 Ta2 C23 57.4(8) . . ?
C4C Ta2 C25 104.1(18) . . ?
C3C Ta2 C25 76.1(14) . . ?
C22 Ta2 C25 57.4(8) . . ?
C21 Ta2 C25 34.5(5) . . ?
C23 Ta2 C25 57.3(7) . . ?
C4C Ta2 C24 77.8(16) . . ?
C3C Ta2 C24 102.6(16) . . ?
C22 Ta2 C24 57.4(8) . . ?
C21 Ta2 C24 57.3(8) . . ?
C23 Ta2 C24 34.5(5) . . ?
C25 Ta2 C24 34.4(5) . . ?
C4C Ta2 P5 70.5(15) . . ?
C3C Ta2 P5 127.7(17) . . ?
C22 Ta2 P5 104.7(12) . . ?
C21 Ta2 P5 136.6(16) . . ?
C23 Ta2 P5 98.6(12) . . ?
C25 Ta2 P5 155.9(14) . . ?
C24 Ta2 P5 123.9(15) . . ?
C4C Ta2 P6 73.7(16) . . ?
C3C Ta2 P6 78.6(14) . . ?
C22 Ta2 P6 146.2(15) . . ?
C21 Ta2 P6 150.3(17) . . ?
C23 Ta2 P6 146.7(15) . . ?
C25 Ta2 P6 153.6(14) . . ?
C24 Ta2 P6 151.1(19) . . ?
P5 Ta2 P6 49.2(6) . . ?
C4C Ta2 P7 122.2(18) . . ?
C3C Ta2 P7 70.2(13) . . ?
C22 Ta2 P7 108.7(16) . . ?
C21 Ta2 P7 102.3(15) . . ?
C23 Ta2 P7 140.2(18) . . ?
C25 Ta2 P7 126.4(17) . . ?
C24 Ta2 P7 159.3(19) . . ?
P5 Ta2 P7 72.3(8) . . ?
P6 Ta2 P7 48.5(6) . . ?
C4C Ta2 P8 119.0(18) . . ?
C3C Ta2 P8 117.9(18) . . ?
C22 Ta2 P8 75.6(11) . . ?
C21 Ta2 P8 94.6(15) . . ?
C23 Ta2 P8 95.6(13) . . ?
C25 Ta2 P8 128.7(18) . . ?
C24 Ta2 P8 129.5(15) . . ?
P5 Ta2 P8 48.6(6) . . ?
P6 Ta2 P8 70.6(8) . . ?
P7 Ta2 P8 48.8(6) . . ?
O3C C3C Ta2 167(4) . . ?
O4C C4C Ta2 172(3) . . ?
C3CC Ta2A C22 130.1(19) . . ?
C3CC Ta2A C21 95.6(16) . . ?
C22 Ta2A C21 34.6(6) . . ?
C3CC Ta2A C4CC 78.5(17) . . ?
C22 Ta2A C4CC 126.2(17) . . ?
C21 Ta2A C4CC 131.5(17) . . ?
C3CC Ta2A C23 132.7(17) . . ?
C22 Ta2A C23 34.6(5) . . ?
C21 Ta2A C23 57.4(8) . . ?
C4CC Ta2A C23 91.7(16) . . ?
C3CC Ta2A C25 78.3(13) . . ?
C22 Ta2A C25 57.4(8) . . ?
C21 Ta2A C25 34.5(5) . . ?
C4CC Ta2A C25 98.4(16) . . ?
C23 Ta2A C25 57.3(7) . . ?
C3CC Ta2A C24 99.0(15) . . ?
C22 Ta2A C24 57.4(8) . . ?
C21 Ta2A C24 57.3(8) . . ?
C4CC Ta2A C24 75.9(14) . . ?
C23 Ta2A C24 34.5(5) . . ?
C25 Ta2A C24 34.4(5) . . ?
C3CC Ta2A P5 123.8(17) . . ?
C22 Ta2A P5 104.6(12) . . ?
C21 Ta2A P5 136.5(16) . . ?
C4CC Ta2A P5 78.9(14) . . ?
C23 Ta2A P5 98.5(12) . . ?
C25 Ta2A P5 155.8(14) . . ?
C24 Ta2A P5 123.8(15) . . ?
C3CC Ta2A P6 75.5(13) . . ?
C22 Ta2A P6 146.1(15) . . ?
C21 Ta2A P6 150.3(17) . . ?
C4CC Ta2A P6 75.2(14) . . ?
C23 Ta2A P6 146.5(15) . . ?
C25 Ta2A P6 153.8(14) . . ?
C24 Ta2A P6 151.1(19) . . ?
P5 Ta2A P6 49.2(6) . . ?
C3CC Ta2A P7 78.4(13) . . ?
C22 Ta2A P7 108.6(16) . . ?
C21 Ta2A P7 102.3(15) . . ?
C4CC Ta2A P7 122.8(16) . . ?
C23 Ta2A P7 140.1(18) . . ?
C25 Ta2A P7 126.5(17) . . ?
C24 Ta2A P7 159.4(19) . . ?
P5 Ta2A P7 72.3(8) . . ?
P6 Ta2A P7 48.5(6) . . ?
C3CC Ta2A P8 127.2(16) . . ?
C22 Ta2A P8 75.6(11) . . ?
C21 Ta2A P8 94.5(15) . . ?
C4CC Ta2A P8 127.5(17) . . ?
C23 Ta2A P8 95.5(13) . . ?
C25 Ta2A P8 128.7(18) . . ?
C24 Ta2A P8 129.4(15) . . ?
P5 Ta2A P8 48.6(6) . . ?
P6 Ta2A P8 70.6(8) . . ?
P7 Ta2A P8 48.8(6) . . ?
O3CC C3CC Ta2A 174(6) . . ?
O4CC C4CC Ta2A 172(4) . . ?
C25 C21 C22 108.0 . . ?
C25 C21 C211 127.0(19) . . ?
C22 C21 C211 124.0(19) . . ?
C25 C21 Ta2A 73.0(10) . . ?
C22 C21 Ta2A 72.6(9) . . ?
C211 C21 Ta2A 128.9(14) . . ?
C25 C21 Ta2 73.1(10) . . ?
C22 C21 Ta2 72.6(9) . . ?
C211 C21 Ta2 129.0(14) . . ?
C23 C22 C21 108.0 . . ?
C23 C22 Ta2 73.0(10) . . ?
C21 C22 Ta2 72.8(9) . . ?
C23 C22 Ta2A 73.0(10) . . ?
C21 C22 Ta2A 72.8(9) . . ?
C23 C22 H22 126.0 . . ?
C21 C22 H22 126.0 . . ?
Ta2 C22 H22 120.0 . . ?
C22 C23 C24 108.0 . . ?
C22 C23 C231 130.2(18) . . ?
C24 C23 C231 121.8(18) . . ?
C22 C23 Ta2 72.5(11) . . ?
C24 C23 Ta2 73.1(9) . . ?
C231 C23 Ta2 120.9(17) . . ?
C22 C23 Ta2A 72.5(11) . . ?
C24 C23 Ta2A 73.0(9) . . ?
C231 C23 Ta2A 121.0(17) . . ?
C23 C24 C25 108.0 . . ?
C23 C24 Ta2A 72.5(9) . . ?
C25 C24 Ta2A 72.7(10) . . ?
C23 C24 Ta2 72.5(9) . . ?
C25 C24 Ta2 72.7(10) . . ?
C23 C24 H24 126.0 . . ?
C25 C24 H24 126.0 . . ?
Ta2 C24 H24 120.6 . . ?
C21 C25 C24 108.0 . . ?
C21 C25 Ta2A 72.4(11) . . ?
C24 C25 Ta2A 72.9(10) . . ?
C21 C25 Ta2 72.4(11) . . ?
C24 C25 Ta2 72.9(10) . . ?
C21 C25 H25 126.0 . . ?
C24 C25 H25 126.0 . . ?
Ta2 C25 H25 120.5 . . ?
C213 C211 C214 113(3) . . ?
C213 C211 C212 98(2) . . ?
C214 C211 C212 121(3) . . ?
C213 C211 C21 112(2) . . ?
C214 C211 C21 111(2) . . ?
C212 C211 C21 102.1(17) . . ?
C211 C212 H21D 109.5 . . ?
C211 C212 H21E 109.5 . . ?
H21D C212 H21E 109.5 . . ?
C211 C212 H21F 109.5 . . ?
H21D C212 H21F 109.5 . . ?
H21E C212 H21F 109.5 . . ?
C211 C213 H21A 109.5 . . ?
C211 C213 H21B 109.5 . . ?
H21A C213 H21B 109.5 . . ?
C211 C213 H21C 109.5 . . ?
H21A C213 H21C 109.5 . . ?
H21B C213 H21C 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 . . ?
C232 C231 C233 138(3) . . ?
C232 C231 C23 98(2) . . ?
C233 C231 C23 110(3) . . ?
C232 C231 C234 93(2) . . ?
C233 C231 C234 120(3) . . ?
C23 C231 C234 82.4(19) . . ?
C231 C232 H23K 109.5 . . ?
C231 C232 H23L 109.5 . . ?
H23K C232 H23L 109.5 . . ?
C231 C232 H23M 109.5 . . ?
H23K C232 H23M 109.5 . . ?
H23L C232 H23M 109.5 . . ?
C231 C234 H23D 109.5 . . ?
C231 C234 H23E 109.5 . . ?
H23D C234 H23E 109.5 . . ?
C231 C234 H23F 109.5 . . ?
H23D C234 H23F 109.5 . . ?
H23E C234 H23F 109.5 . . ?
C231 C233 H23A 109.5 . . ?
C231 C233 H23B 109.5 . . ?
H23A C233 H23B 109.5 . . ?
C231 C233 H23C 109.5 . . ?
H23A C233 H23C 109.5 . . ?
H23B C233 H23C 109.5 . . ?
C5C Ta3 C6C 86.9(7) . . ?
C5C Ta3 C35 74.4(6) . . ?
C6C Ta3 C35 98.2(7) . . ?
C5C Ta3 C32 123.6(6) . . ?
C6C Ta3 C32 125.0(6) . . ?
C35 Ta3 C32 57.6(5) . . ?
C5C Ta3 C33 132.5(6) . . ?
C6C Ta3 C33 90.7(6) . . ?
C35 Ta3 C33 59.0(6) . . ?
C32 Ta3 C33 34.4(5) . . ?
C5C Ta3 C34 99.3(7) . . ?
C6C Ta3 C34 76.6(6) . . ?
C35 Ta3 C34 34.1(7) . . ?
C32 Ta3 C34 55.9(5) . . ?
C33 Ta3 C34 34.9(6) . . ?
C5C Ta3 C31 88.9(6) . . ?
C6C Ta3 C31 132.6(6) . . ?
C35 Ta3 C31 36.0(6) . . ?
C32 Ta3 C31 34.7(5) . . ?
C33 Ta3 C31 59.2(6) . . ?
C34 Ta3 C31 57.7(7) . . ?
C5C Ta3 P9 79.8(5) . . ?
C6C Ta3 P9 125.5(4) . . ?
C35 Ta3 P9 127.5(6) . . ?
C32 Ta3 P9 105.8(4) . . ?
C33 Ta3 P9 135.5(4) . . ?
C34 Ta3 P9 157.6(5) . . ?
C31 Ta3 P9 100.0(5) . . ?
C5C Ta3 P11 125.1(5) . . ?
C6C Ta3 P11 74.6(5) . . ?
C35 Ta3 P11 157.8(5) . . ?
C32 Ta3 P11 108.9(4) . . ?
C33 Ta3 P11 99.6(4) . . ?
C34 Ta3 P11 124.4(6) . . ?
C31 Ta3 P11 140.5(4) . . ?
P9 Ta3 P11 71.13(12) . . ?
C5C Ta3 P10 128.1(5) . . ?
C6C Ta3 P10 122.6(5) . . ?
C35 Ta3 P10 131.2(4) . . ?
C32 Ta3 P10 76.3(4) . . ?
C33 Ta3 P10 92.2(4) . . ?
C34 Ta3 P10 126.8(4) . . ?
C31 Ta3 P10 96.2(4) . . ?
P9 Ta3 P10 48.35(12) . . ?
P11 Ta3 P10 48.47(11) . . ?
C5C Ta3 P12 77.2(5) . . ?
C6C Ta3 P12 77.1(4) . . ?
C35 Ta3 P12 151.5(4) . . ?
C32 Ta3 P12 146.9(4) . . ?
C33 Ta3 P12 147.7(4) . . ?
C34 Ta3 P12 153.6(5) . . ?
C31 Ta3 P12 146.9(4) . . ?
P9 Ta3 P12 48.43(11) . . ?
P11 Ta3 P12 48.57(11) . . ?
P10 Ta3 P12 70.77(11) . . ?
C8C Ta4 C7C 89.1(7) . . ?
C8C Ta4 C42 121.7(6) . . ?
C7C Ta4 C42 126.3(5) . . ?
C8C Ta4 C43 133.9(6) . . ?
C7C Ta4 C43 93.2(5) . . ?
C42 Ta4 C43 33.3(5) . . ?
C8C Ta4 C44 105.2(6) . . ?
C7C Ta4 C44 74.9(5) . . ?
C42 Ta4 C44 56.1(5) . . ?
C43 Ta4 C44 33.2(5) . . ?
C8C Ta4 C41 86.6(5) . . ?
C7C Ta4 C41 129.4(5) . . ?
C42 Ta4 C41 35.3(6) . . ?
C43 Ta4 C41 57.3(6) . . ?
C44 Ta4 C41 58.0(5) . . ?
C8C Ta4 C45 75.3(5) . . ?
C7C Ta4 C45 95.2(6) . . ?
C42 Ta4 C45 58.8(6) . . ?
C43 Ta4 C45 58.6(6) . . ?
C44 Ta4 C45 36.7(6) . . ?
C41 Ta4 C45 35.3(5) . . ?
C8C Ta4 P15 76.8(5) . . ?
C7C Ta4 P15 126.0(4) . . ?
C42 Ta4 P15 104.7(4) . . ?
C43 Ta4 P15 133.5(4) . . ?
C44 Ta4 P15 159.1(4) . . ?
C41 Ta4 P15 101.9(4) . . ?
C45 Ta4 P15 129.2(4) . . ?
C8C Ta4 P13 123.6(4) . . ?
C7C Ta4 P13 74.5(5) . . ?
C42 Ta4 P13 110.9(5) . . ?
C43 Ta4 P13 101.2(4) . . ?
C44 Ta4 P13 120.8(4) . . ?
C41 Ta4 P13 144.4(4) . . ?
C45 Ta4 P13 157.4(4) . . ?
P15 Ta4 P13 71.39(12) . . ?
C8C Ta4 P16 125.3(5) . . ?
C7C Ta4 P16 122.5(5) . . ?
C42 Ta4 P16 76.9(4) . . ?
C43 Ta4 P16 91.3(4) . . ?
C44 Ta4 P16 124.4(4) . . ?
C41 Ta4 P16 100.2(3) . . ?
C45 Ta4 P16 134.0(4) . . ?
P15 Ta4 P16 48.59(12) . . ?
P13 Ta4 P16 48.50(12) . . ?
C8C Ta4 P14 75.9(4) . . ?
C7C Ta4 P14 77.5(4) . . ?
C42 Ta4 P14 146.9(4) . . ?
C43 Ta4 P14 149.2(4) . . ?
C44 Ta4 P14 152.3(4) . . ?
C41 Ta4 P14 148.1(4) . . ?
C45 Ta4 P14 150.4(4) . . ?
P15 Ta4 P14 48.56(12) . . ?
P13 Ta4 P14 48.09(11) . . ?
P16 Ta4 P14 70.44(12) . . ?
C10C Ta5 C9C 87.8(6) . . ?
C10C Ta5 C54 76.6(6) . . ?
C9C Ta5 C54 95.9(7) . . ?
C10C Ta5 C52 122.2(5) . . ?
C9C Ta5 C52 126.1(5) . . ?
C54 Ta5 C52 57.0(6) . . ?
C10C Ta5 C53 87.9(5) . . ?
C9C Ta5 C53 129.1(6) . . ?
C54 Ta5 C53 34.2(6) . . ?
C52 Ta5 C53 34.4(5) . . ?
C10C Ta5 C55 103.3(6) . . ?
C9C Ta5 C55 75.2(6) . . ?
C54 Ta5 C55 34.7(7) . . ?
C52 Ta5 C55 56.1(6) . . ?
C53 Ta5 C55 56.7(6) . . ?
C10C Ta5 C51 134.2(5) . . ?
C9C Ta5 C51 92.5(6) . . ?
C54 Ta5 C51 57.8(6) . . ?
C52 Ta5 C51 34.0(5) . . ?
C53 Ta5 C51 57.4(5) . . ?
C55 Ta5 C51 34.2(6) . . ?
C10C Ta5 P17 124.0(5) . . ?
C9C Ta5 P17 122.1(4) . . ?
C54 Ta5 P17 134.8(5) . . ?
C52 Ta5 P17 79.7(4) . . ?
C53 Ta5 P17 101.8(4) . . ?
C55 Ta5 P17 128.2(4) . . ?
C51 Ta5 P17 94.0(4) . . ?
C10C Ta5 P18 123.3(4) . . ?
C9C Ta5 P18 73.8(4) . . ?
C54 Ta5 P18 156.1(5) . . ?
C52 Ta5 P18 111.5(3) . . ?
C53 Ta5 P18 144.5(4) . . ?
C55 Ta5 P18 121.6(4) . . ?
C51 Ta5 P18 100.4(3) . . ?
P17 Ta5 P18 48.39(10) . . ?
C10C Ta5 P19 75.4(4) . . ?
C9C Ta5 P19 76.3(4) . . ?
C54 Ta5 P19 151.1(5) . . ?
C52 Ta5 P19 148.5(4) . . ?
C53 Ta5 P19 149.5(4) . . ?
C55 Ta5 P19 151.5(4) . . ?
C51 Ta5 P19 148.7(3) . . ?
P17 Ta5 P19 69.06(11) . . ?
P18 Ta5 P19 48.52(10) . . ?
C10C Ta5 P20 75.7(5) . . ?
C9C Ta5 P20 124.5(4) . . ?
C54 Ta5 P20 129.1(6) . . ?
C52 Ta5 P20 106.9(4) . . ?
C53 Ta5 P20 103.2(4) . . ?
C55 Ta5 P20 159.9(4) . . ?
C51 Ta5 P20 136.1(5) . . ?
P17 Ta5 P20 48.31(12) . . ?
P18 Ta5 P20 72.62(10) . . ?
P19 Ta5 P20 48.40(10) . . ?
C12C Ta6 C11C 88.0(4) . . ?
C12C Ta6 C62 123.4(4) . . ?
C11C Ta6 C62 124.7(4) . . ?
C12C Ta6 C64 100.7(4) . . ?
C11C Ta6 C64 75.3(4) . . ?
C62 Ta6 C64 56.4(4) . . ?
C12C Ta6 C63 132.0(4) . . ?
C11C Ta6 C63 89.6(4) . . ?
C62 Ta6 C63 35.1(3) . . ?
C64 Ta6 C63 33.4(4) . . ?
C12C Ta6 C61 88.7(4) . . ?
C11C Ta6 C61 131.0(4) . . ?
C62 Ta6 C61 34.7(4) . . ?
C64 Ta6 C61 57.5(4) . . ?
C63 Ta6 C61 58.4(3) . . ?
C12C Ta6 C65 75.7(4) . . ?
C11C Ta6 C65 97.7(4) . . ?
C62 Ta6 C65 57.0(4) . . ?
C64 Ta6 C65 34.4(4) . . ?
C63 Ta6 C65 57.2(4) . . ?
C61 Ta6 C65 34.8(4) . . ?
C12C Ta6 P21 125.4(3) . . ?
C11C Ta6 P21 76.3(4) . . ?
C62 Ta6 P21 107.9(3) . . ?
C64 Ta6 P21 123.9(3) . . ?
C63 Ta6 P21 100.3(3) . . ?
C61 Ta6 P21 139.8(3) . . ?
C65 Ta6 P21 157.0(3) . . ?
C12C Ta6 P23 74.9(3) . . ?
C11C Ta6 P23 123.2(3) . . ?
C62 Ta6 P23 109.3(3) . . ?
C64 Ta6 P23 160.1(3) . . ?
C63 Ta6 P23 140.9(3) . . ?
C61 Ta6 P23 102.8(3) . . ?
C65 Ta6 P23 127.7(3) . . ?
P21 Ta6 P23 71.68(10) . . ?
C12C Ta6 P24 123.2(3) . . ?
C11C Ta6 P24 125.0(4) . . ?
C62 Ta6 P24 77.6(3) . . ?
C64 Ta6 P24 129.5(3) . . ?
C63 Ta6 P24 96.6(3) . . ?
C61 Ta6 P24 96.8(3) . . ?
C65 Ta6 P24 131.0(3) . . ?
P21 Ta6 P24 48.82(9) . . ?
P23 Ta6 P24 48.65(10) . . ?
C12C Ta6 P22 76.9(3) . . ?
C11C Ta6 P22 75.3(3) . . ?
C62 Ta6 P22 148.4(3) . . ?
C64 Ta6 P22 150.5(3) . . ?
C63 Ta6 P22 147.6(2) . . ?
C61 Ta6 P22 150.0(3) . . ?
C65 Ta6 P22 151.9(3) . . ?
P21 Ta6 P22 48.68(9) . . ?
P23 Ta6 P22 48.36(8) . . ?
P24 Ta6 P22 70.76(9) . . ?
C14C Ta7 C13C 89.4(6) . . ?
C14C Ta7 C71 132.8(5) . . ?
C13C Ta7 C71 91.1(5) . . ?
C14C Ta7 C72 123.9(5) . . ?
C13C Ta7 C72 125.1(4) . . ?
C71 Ta7 C72 34.0(4) . . ?
C14C Ta7 C74 76.3(5) . . ?
C13C Ta7 C74 99.7(5) . . ?
C71 Ta7 C74 57.1(4) . . ?
C72 Ta7 C74 57.2(4) . . ?
C14C Ta7 C73 89.6(5) . . ?
C13C Ta7 C73 132.7(4) . . ?
C71 Ta7 C73 57.2(4) . . ?
C72 Ta7 C73 34.3(4) . . ?
C74 Ta7 C73 34.9(4) . . ?
C14C Ta7 C75 101.2(5) . . ?
C13C Ta7 C75 76.7(4) . . ?
C71 Ta7 C75 34.0(4) . . ?
C72 Ta7 C75 56.5(4) . . ?
C74 Ta7 C75 34.3(5) . . ?
C73 Ta7 C75 57.2(4) . . ?
C14C Ta7 P27 76.3(5) . . ?
C13C Ta7 P27 124.4(3) . . ?
C71 Ta7 P27 137.1(3) . . ?
C72 Ta7 P27 106.6(3) . . ?
C74 Ta7 P27 126.9(4) . . ?
C73 Ta7 P27 101.1(3) . . ?
C75 Ta7 P27 158.3(3) . . ?
C14C Ta7 P25 122.2(4) . . ?
C13C Ta7 P25 73.0(3) . . ?
C71 Ta7 P25 102.8(3) . . ?
C72 Ta7 P25 110.5(3) . . ?
C74 Ta7 P25 159.2(4) . . ?
C73 Ta7 P25 142.0(3) . . ?
C75 Ta7 P25 125.6(4) . . ?
P27 Ta7 P25 70.77(10) . . ?
C14C Ta7 P26 124.3(5) . . ?
C13C Ta7 P26 121.1(3) . . ?
C71 Ta7 P26 95.0(3) . . ?
C72 Ta7 P26 77.7(3) . . ?
C74 Ta7 P26 131.9(3) . . ?
C73 Ta7 P26 97.8(3) . . ?
C75 Ta7 P26 128.8(3) . . ?
P27 Ta7 P26 48.10(10) . . ?
P25 Ta7 P26 48.45(10) . . ?
C14C Ta7 P28 74.5(4) . . ?
C13C Ta7 P28 75.9(3) . . ?
C71 Ta7 P28 150.3(3) . . ?
C72 Ta7 P28 148.2(3) . . ?
C74 Ta7 P28 150.5(3) . . ?
C73 Ta7 P28 147.9(3) . . ?
C75 Ta7 P28 152.3(3) . . ?
P27 Ta7 P28 48.56(11) . . ?
P25 Ta7 P28 48.06(9) . . ?
P26 Ta7 P28 70.62(10) . . ?
C16C Ta8 C15C 88.6(6) . . ?
C16C Ta8 C82 128.2(5) . . ?
C15C Ta8 C82 121.8(5) . . ?
C16C Ta8 C85 76.3(6) . . ?
C15C Ta8 C85 106.0(6) . . ?
C82 Ta8 C85 56.5(5) . . ?
C16C Ta8 C84 96.4(5) . . ?
C15C Ta8 C84 78.5(6) . . ?
C82 Ta8 C84 57.0(6) . . ?
C85 Ta8 C84 34.8(5) . . ?
C16C Ta8 C81 93.9(6) . . ?
C15C Ta8 C81 135.7(6) . . ?
C82 Ta8 C81 34.6(5) . . ?
C85 Ta8 C81 33.7(6) . . ?
C84 Ta8 C81 57.3(6) . . ?
C16C Ta8 C83 130.3(5) . . ?
C15C Ta8 C83 88.0(6) . . ?
C82 Ta8 C83 34.1(5) . . ?
C85 Ta8 C83 57.2(5) . . ?
C84 Ta8 C83 34.6(5) . . ?
C81 Ta8 C83 57.4(5) . . ?
C16C Ta8 P29 123.4(4) . . ?
C15C Ta8 P29 72.6(5) . . ?
C82 Ta8 P29 106.3(3) . . ?
C85 Ta8 P29 159.7(4) . . ?
C84 Ta8 P29 128.9(4) . . ?
C81 Ta8 P29 136.4(4) . . ?
C83 Ta8 P29 102.6(3) . . ?
C16C Ta8 P31 74.9(4) . . ?
C15C Ta8 P31 121.7(4) . . ?
C82 Ta8 P31 111.6(4) . . ?
C85 Ta8 P31 122.6(4) . . ?
C84 Ta8 P31 157.0(4) . . ?
C81 Ta8 P31 101.5(4) . . ?
C83 Ta8 P31 143.9(4) . . ?
P29 Ta8 P31 71.66(10) . . ?
C16C Ta8 P32 123.7(4) . . ?
C15C Ta8 P32 121.2(5) . . ?
C82 Ta8 P32 78.1(4) . . ?
C85 Ta8 P32 127.2(4) . . ?
C84 Ta8 P32 133.2(4) . . ?
C81 Ta8 P32 93.6(4) . . ?
C83 Ta8 P32 99.9(4) . . ?
P29 Ta8 P32 48.69(9) . . ?
P31 Ta8 P32 48.86(9) . . ?
C16C Ta8 P30 75.5(4) . . ?
C15C Ta8 P30 73.7(4) . . ?
C82 Ta8 P30 148.1(3) . . ?
C85 Ta8 P30 151.8(4) . . ?
C84 Ta8 P30 151.1(5) . . ?
C81 Ta8 P30 149.3(4) . . ?
C83 Ta8 P30 148.8(3) . . ?
P29 Ta8 P30 48.20(9) . . ?
P31 Ta8 P30 48.13(10) . . ?
P32 Ta8 P30 70.27(10) . . ?
N11L Ag1 P17 126.5(4) . . ?
N11L Ag1 P5 113.8(6) . . ?
P17 Ag1 P5 103.28(15) . . ?
N11L Ag1 P4 105.4(4) . . ?
P17 Ag1 P4 103.96(12) . . ?
P5 Ag1 P4 100.56(13) . . ?
N21L Ag2 P9 109.4(5) . . ?
N21L Ag2 P6 110.3(4) . . ?
P9 Ag2 P6 104.44(13) . . ?
N21L Ag2 P3 112.8(5) . . ?
P9 Ag2 P3 119.06(13) . . ?
P6 Ag2 P3 99.76(12) . . ?
N22L Ag3 P13 112.2(4) 2_765 . ?
N22L Ag3 P7 106.5(4) 2_765 . ?
P13 Ag3 P7 127.42(14) . . ?
N22L Ag3 P12 96.9(4) 2_765 . ?
P13 Ag3 P12 101.50(12) . . ?
P7 Ag3 P12 107.71(12) . . ?
N12L Ag4 P11 116.9(5) 1_545 . ?
N12L Ag4 P31 107.2(4) 1_545 . ?
P11 Ag4 P31 116.96(11) . . ?
N12L Ag4 P14 106.4(4) 1_545 . ?
P11 Ag4 P14 102.62(12) . . ?
P31 Ag4 P14 105.59(11) . . ?
N31L Ag5 P15 124.4(3) . . ?
N31L Ag5 P30 113.3(3) . . ?
P15 Ag5 P30 99.51(12) . . ?
N31L Ag5 P27 107.0(4) . . ?
P15 Ag5 P27 111.90(13) . . ?
P30 Ag5 P27 97.34(11) . . ?
N32L Ag6 P21 109.2(3) 1_565 . ?
N32L Ag6 P18 115.9(3) 1_565 . ?
P21 Ag6 P18 105.79(10) . . ?
N32L Ag6 P2 110.1(3) 1_565 . ?
P21 Ag6 P2 114.90(11) . . ?
P18 Ag6 P2 100.79(12) . . ?
N41L Ag7 P25 112.0(3) . . ?
N41L Ag7 P19 110.5(3) . . ?
P25 Ag7 P19 123.41(11) . . ?
N41L Ag7 P22 98.3(3) . . ?
P25 Ag7 P22 105.30(9) . . ?
P19 Ag7 P22 103.60(10) . . ?
N51L Ag8 P23 110.9(3) . . ?
N51L Ag8 P29 114.4(3) . . ?
P23 Ag8 P29 119.84(11) . . ?
N51L Ag8 P28 99.7(3) . . ?
P23 Ag8 P28 105.46(9) . . ?
P29 Ag8 P28 103.70(10) . . ?
P2 P1 P3 90.61(18) . . ?
P2 P1 Ta1 65.38(13) . . ?
P3 P1 Ta1 65.21(13) . . ?
P1 P2 P4 89.4(2) . . ?
P1 P2 Ag6 141.40(19) . . ?
P4 P2 Ag6 121.27(17) . . ?
P1 P2 Ta1 65.94(14) . . ?
P4 P2 Ta1 66.66(14) . . ?
Ag6 P2 Ta1 144.47(15) . . ?
P1 P3 P4 89.6(2) . . ?
P1 P3 Ag2 141.00(18) . . ?
P4 P3 Ag2 122.65(18) . . ?
P1 P3 Ta1 66.03(13) . . ?
P4 P3 Ta1 66.85(13) . . ?
Ag2 P3 Ta1 143.06(16) . . ?
P3 P4 P2 90.27(18) . . ?
P3 P4 Ag1 132.10(19) . . ?
P2 P4 Ag1 130.16(19) . . ?
P3 P4 Ta1 64.62(13) . . ?
P2 P4 Ta1 64.70(13) . . ?
Ag1 P4 Ta1 148.51(16) . . ?
P8 P5 P6 89.5(2) . . ?
P8 P5 Ag1 134.3(3) . . ?
P6 P5 Ag1 124.1(2) . . ?
P8 P5 Ta2 67.2(9) . . ?
P6 P5 Ta2 66.1(7) . . ?
Ag1 P5 Ta2 150.4(8) . . ?
P8 P5 Ta2A 67.2(9) . . ?
P6 P5 Ta2A 66.1(7) . . ?
Ag1 P5 Ta2A 150.4(8) . . ?
P7 P6 P5 90.8(2) . . ?
P7 P6 Ag2 135.78(19) . . ?
P5 P6 Ag2 130.9(2) . . ?
P7 P6 Ta2 65.9(9) . . ?
P5 P6 Ta2 64.7(7) . . ?
Ag2 P6 Ta2 138.6(8) . . ?
P7 P6 Ta2A 65.9(9) . . ?
P5 P6 Ta2A 64.7(7) . . ?
Ag2 P6 Ta2A 138.6(8) . . ?
P6 P7 P8 89.3(2) . . ?
P6 P7 Ag3 118.70(17) . . ?
P8 P7 Ag3 143.6(3) . . ?
P6 P7 Ta2A 65.6(9) . . ?
P8 P7 Ta2A 66.2(7) . . ?
Ag3 P7 Ta2A 144.3(7) . . ?
P6 P7 Ta2 65.6(9) . . ?
P8 P7 Ta2 66.2(7) . . ?
Ag3 P7 Ta2 144.4(7) . . ?
P5 P8 P7 90.3(2) . . ?
P5 P8 Ta2 64.2(9) . . ?
P7 P8 Ta2 65.0(7) . . ?
P5 P8 Ta2A 64.2(9) . . ?
P7 P8 Ta2A 65.0(7) . . ?
P10 P9 P12 90.8(2) . . ?
P10 P9 Ag2 127.2(2) . . ?
P12 P9 Ag2 123.86(17) . . ?
P10 P9 Ta3 66.72(14) . . ?
P12 P9 Ta3 66.98(14) . . ?
Ag2 P9 Ta3 158.16(19) . . ?
P9 P10 P11 89.62(18) . . ?
P9 P10 Ta3 64.92(14) . . ?
P11 P10 Ta3 65.05(13) . . ?
P10 P11 P12 90.4(2) . . ?
P10 P11 Ag4 140.10(19) . . ?
P12 P11 Ag4 121.79(17) . . ?
P10 P11 Ta3 66.48(14) . . ?
P12 P11 Ta3 66.73(14) . . ?
Ag4 P11 Ta3 144.48(15) . . ?
P9 P12 P11 89.13(18) . . ?
P9 P12 Ag3 128.31(18) . . ?
P11 P12 Ag3 135.6(2) . . ?
P9 P12 Ta3 64.58(13) . . ?
P11 P12 Ta3 64.70(13) . . ?
Ag3 P12 Ta3 146.98(15) . . ?
P14 P13 P16 90.2(2) . . ?
P14 P13 Ag3 122.20(18) . . ?
P16 P13 Ag3 143.3(2) . . ?
P14 P13 Ta4 66.67(14) . . ?
P16 P13 Ta4 66.26(14) . . ?
Ag3 P13 Ta4 138.95(16) . . ?
P13 P14 P15 89.98(19) . . ?
P13 P14 Ag4 134.9(2) . . ?
P15 P14 Ag4 126.89(17) . . ?
P13 P14 Ta4 65.24(12) . . ?
P15 P14 Ta4 64.43(12) . . ?
Ag4 P14 Ta4 148.76(17) . . ?
P16 P15 P14 90.1(2) . . ?
P16 P15 Ag5 125.0(2) . . ?
P14 P15 Ag5 125.68(17) . . ?
P16 P15 Ta4 66.80(13) . . ?
P14 P15 Ta4 67.01(13) . . ?
Ag5 P15 Ta4 158.74(17) . . ?
P15 P16 P13 89.7(2) . . ?
P15 P16 Ta4 64.61(14) . . ?
P13 P16 Ta4 65.23(14) . . ?
P18 P17 P20 93.63(19) . . ?
P18 P17 Ag1 119.86(17) . . ?
P20 P17 Ag1 129.4(2) . . ?
P18 P17 Ta5 66.04(14) . . ?
P20 P17 Ta5 67.80(15) . . ?
Ag1 P17 Ta5 157.83(15) . . ?
P17 P18 P19 87.58(17) . . ?
P17 P18 Ag6 133.97(19) . . ?
P19 P18 Ag6 127.88(15) . . ?
P17 P18 Ta5 65.57(12) . . ?
P19 P18 Ta5 66.47(11) . . ?
Ag6 P18 Ta5 148.97(15) . . ?
P18 P19 P20 92.49(18) . . ?
P18 P19 Ag7 125.17(16) . . ?
P20 P19 Ag7 141.85(18) . . ?
P18 P19 Ta5 65.02(11) . . ?
P20 P19 Ta5 66.80(12) . . ?
Ag7 P19 Ta5 130.79(15) . . ?
P17 P20 P19 86.27(17) . . ?
P17 P20 Ta5 63.89(14) . . ?
P19 P20 Ta5 64.80(13) . . ?
P22 P21 P24 90.00(15) . . ?
P22 P21 Ag6 124.71(14) . . ?
P24 P21 Ag6 126.46(17) . . ?
P22 P21 Ta6 66.84(11) . . ?
P24 P21 Ta6 66.47(11) . . ?
Ag6 P21 Ta6 158.69(14) . . ?
P23 P22 P21 89.85(15) . . ?
P23 P22 Ag7 135.13(15) . . ?
P21 P22 Ag7 128.10(14) . . ?
P23 P22 Ta6 64.79(10) . . ?
P21 P22 Ta6 64.48(10) . . ?
Ag7 P22 Ta6 147.26(13) . . ?
P22 P23 P24 90.40(15) . . ?
P22 P23 Ag8 119.15(14) . . ?
P24 P23 Ag8 142.42(16) . . ?
P22 P23 Ta6 66.85(10) . . ?
P24 P23 Ta6 66.40(11) . . ?
Ag8 P23 Ta6 144.05(14) . . ?
P23 P24 P21 89.66(15) . . ?
P23 P24 Ta6 64.95(11) . . ?
P21 P24 Ta6 64.72(12) . . ?
P28 P25 P26 90.56(16) . . ?
P28 P25 Ag7 119.10(14) . . ?
P26 P25 Ag7 143.76(16) . . ?
P28 P25 Ta7 66.89(11) . . ?
P26 P25 Ta7 66.18(12) . . ?
Ag7 P25 Ta7 142.11(14) . . ?
P27 P26 P25 89.71(17) . . ?
P27 P26 Ta7 65.40(13) . . ?
P25 P26 Ta7 65.37(12) . . ?
P26 P27 P28 90.52(17) . . ?
P26 P27 Ag5 127.40(19) . . ?
P28 P27 Ag5 127.35(15) . . ?
P26 P27 Ta7 66.50(13) . . ?
P28 P27 Ta7 66.77(13) . . ?
Ag5 P27 Ta7 154.71(15) . . ?
P25 P28 P27 89.17(16) . . ?
P25 P28 Ag8 134.81(16) . . ?
P27 P28 Ag8 127.42(16) . . ?
P25 P28 Ta7 65.05(10) . . ?
P27 P28 Ta7 64.67(11) . . ?
Ag8 P28 Ta7 148.90(15) . . ?
P30 P29 P32 90.05(16) . . ?
P30 P29 Ag8 121.44(14) . . ?
P32 P29 Ag8 140.76(15) . . ?
P30 P29 Ta8 67.03(11) . . ?
P32 P29 Ta8 66.77(11) . . ?
Ag8 P29 Ta8 143.74(14) . . ?
P29 P30 P31 90.78(16) . . ?
P29 P30 Ag5 134.74(17) . . ?
P31 P30 Ag5 134.48(16) . . ?
P29 P30 Ta8 64.77(10) . . ?
P31 P30 Ta8 65.15(11) . . ?
Ag5 P30 Ta8 126.68(14) . . ?
P30 P31 P32 89.64(16) . . ?
P30 P31 Ag4 117.35(14) . . ?
P32 P31 Ag4 142.36(17) . . ?
P30 P31 Ta8 66.72(12) . . ?
P32 P31 Ta8 66.34(11) . . ?
Ag4 P31 Ta8 146.50(13) . . ?
P29 P32 P31 89.41(15) . . ?
P29 P32 Ta8 64.54(11) . . ?
P31 P32 Ta8 64.80(11) . . ?
O1C C1C Ta1 176.4(17) . . ?
O2C C2C Ta1 177.3(15) . . ?
O5C C5C Ta3 175.2(15) . . ?
O6D C6C O6C 30(4) . . ?
O6D C6C Ta3 163(3) . . ?
O6C C6C Ta3 167(3) . . ?
O6D O6C C6C 57(10) . . ?
O6C O6D C6C 93(10) . . ?
O7C C7C Ta4 177.4(14) . . ?
O8C C8C Ta4 176.4(14) . . ?
O9C C9C Ta5 177.5(14) . . ?
O10C C10C Ta5 176.7(12) . . ?
O11C C11C Ta6 177.1(13) . . ?
O12C C12C Ta6 176.9(10) . . ?
O13C C13C Ta7 177.8(11) . . ?
O14C C14C Ta7 176.4(14) . . ?
O15C C15C Ta8 177.9(13) . . ?
O16C C16C Ta8 175.5(13) . . ?
C11L N11L Ag1 172.7(18) . . ?
N11L C11L C12L 169(3) . . ?
C13L C12L C11L 116(2) . . ?
C13L C12L H12A 108.3 . . ?
C11L C12L H12A 108.3 . . ?
C13L C12L H12B 108.3 . . ?
C11L C12L H12B 108.3 . . ?
H12A C12L H12B 107.4 . . ?
C12L C13L C14M 112(2) . . ?
C12L C13L C14L 147(6) . . ?
C12L C13L H13A 100.1 . . ?
C14L C13L H13A 100.1 . . ?
C12L C13L H13B 100.1 . . ?
C14L C13L H13B 100.1 . . ?
H13A C13L H13B 104.2 . . ?
C15L C14L C13L 113(3) . . ?
C15L C14L H14A 108.9 . . ?
C13L C14L H14A 108.9 . . ?
C15L C14L H14B 108.9 . . ?
C13L C14L H14B 108.9 . . ?
H14A C14L H14B 107.7 . . ?
C15L C14M C13L 116(2) . . ?
C15L C14M H14C 108.4 . . ?
C13L C14M H14C 108.4 . . ?
C15L C14M H14D 108.4 . . ?
C13L C14M H14D 108.4 . . ?
H14C C14M H14D 107.4 . . ?
C14M C15L C16M 108(2) . . ?
C16L C15L C14L 117(4) . . ?
C16L C15L H15B 108.0 . . ?
C14L C15L H15B 108.0 . . ?
C16L C15L H15C 108.0 . . ?
C14L C15L H15C 108.0 . . ?
H15B C15L H15C 107.2 . . ?
C14M C15L H15D 110.1 . . ?
C16M C15L H15D 110.1 . . ?
C14M C15L H15E 110.1 . . ?
C16M C15L H15E 110.1 . . ?
H15D C15L H15E 108.4 . . ?
C15L C16L C17L 108(3) . . ?
C15L C16L H16A 110.2 . . ?
C17L C16L H16A 110.2 . . ?
C15L C16L H16B 110.2 . . ?
C17L C16L H16B 110.2 . . ?
H16A C16L H16B 108.5 . . ?
C15L C16M C17M 110(3) . . ?
C15L C16M H16C 109.6 . . ?
C17M C16M H16C 109.6 . . ?
C15L C16M H16D 109.6 . . ?
C17M C16M H16D 109.6 . . ?
H16C C16M H16D 108.1 . . ?
C18L C17L C16L 127(5) . . ?
C18L C17L H17A 105.5 . . ?
C16L C17L H17A 105.5 . . ?
C18L C17L H17B 105.5 . . ?
C16L C17L H17B 105.5 . . ?
H17A C17L H17B 106.1 . . ?
C16M C17M C18M 111(3) . . ?
C16M C17M H17C 109.4 . . ?
C18M C17M H17C 109.4 . . ?
C16M C17M H17D 109.4 . . ?
C18M C17M H17D 109.4 . . ?
H17C C17M H17D 108.0 . . ?
C17L C18L C19L 117(5) . . ?
C17L C18L H18A 108.0 . . ?
C19L C18L H18A 108.0 . . ?
C17L C18L H18B 108.0 . . ?
C19L C18L H18B 108.0 . . ?
H18A C18L H18B 107.2 . . ?
C17M C18M C19L 108(2) . . ?
C17M C18M H18C 110.2 . . ?
C19L C18M H18C 110.2 . . ?
C17M C18M H18D 110.2 . . ?
C19L C18M H18D 110.2 . . ?
H18C C18M H18D 108.5 . . ?
N12L C19L C18M 166(3) . . ?
N12L C19L C18L 167(4) . . ?
C19L N12L Ag4 175.8(19) . 1_565 ?
C21L N21L Ag2 176(2) . . ?
N21L C21L C22M 144(3) . . ?
N21L C21L C22L 165(3) . . ?
C25L C24L C23L 105.0(19) . . ?
C25L C24L C24M 105(2) . . ?
C25L C24L H24E 110.7 . . ?
C24M C24L H24E 110.7 . . ?
C25L C24L H24F 110.7 . . ?
C24M C24L H24F 110.7 . . ?
H24E C24L H24F 108.8 . . ?
C25L C24L H24C 110.8 . . ?
C23L C24L H24C 110.8 . . ?
C25L C24L H24D 110.8 . . ?
C23L C24L H24D 110.8 . . ?
H24C C24L H24D 108.8 . . ?
C26M C25L C24L 115(2) . . ?
C26L C25L C24L 112(2) . . ?
C26M C25L H25C 108.5 . . ?
C24L C25L H25C 108.5 . . ?
C26M C25L H25D 108.5 . . ?
C24L C25L H25D 108.5 . . ?
H25C C25L H25D 107.5 . . ?
C26L C25L H25A 109.2 . . ?
C24L C25L H25A 109.2 . . ?
C26L C25L H25B 109.2 . . ?
C24L C25L H25B 109.2 . . ?
H25A C25L H25B 107.9 . . ?
C23L C22L C21L 109(2) . . ?
C23L C22L H22A 109.9 . . ?
C21L C22L H22A 109.9 . . ?
C23L C22L H22B 109.9 . . ?
C21L C22L H22B 109.9 . . ?
H22A C22L H22B 108.3 . . ?
C22L C23L C24L 111(2) . . ?
C22L C23L H23G 109.5 . . ?
C24L C23L H23G 109.5 . . ?
C22L C23L H23H 109.5 . . ?
C24L C23L H23H 109.5 . . ?
H23G C23L H23H 108.1 . . ?
C25L C26L C27L 104(2) . . ?
C25L C26L H26A 111.0 . . ?
C27L C26L H26A 111.0 . . ?
C25L C26L H26B 111.0 . . ?
C27L C26L H26B 111.0 . . ?
H26A C26L H26B 109.0 . . ?
C28L C27L C26L 106(2) . . ?
C28L C27L H27A 110.5 . . ?
C26L C27L H27A 110.5 . . ?
C28L C27L H27B 110.5 . . ?
C26L C27L H27B 110.5 . . ?
H27A C27L H27B 108.7 . . ?
C27L C28L C29L 106(2) . . ?
C27L C28L H28J 110.6 . . ?
C29L C28L H28J 110.6 . . ?
C27L C28L H28K 110.6 . . ?
C29L C28L H28K 110.6 . . ?
H28J C28L H28K 108.8 . . ?
C21L C22M C23M 112(3) . . ?
C21L C22M H22C 109.2 . . ?
C23M C22M H22C 109.2 . . ?
C21L C22M H22D 109.2 . . ?
C23M C22M H22D 109.2 . . ?
H22C C22M H22D 107.9 . . ?
C22M C23M C24M 99(2) . . ?
C22M C23M H23I 112.0 . . ?
C24M C23M H23I 112.0 . . ?
C22M C23M H23J 112.0 . . ?
C24M C23M H23J 112.0 . . ?
H23I C23M H23J 109.7 . . ?
C23M C24M C24L 100.3(19) . . ?
C23M C24M H24A 111.7 . . ?
C24L C24M H24A 111.7 . . ?
C23M C24M H24B 111.7 . . ?
C24L C24M H24B 111.7 . . ?
H24A C24M H24B 109.5 . . ?
C27M C26M C25L 114(2) . . ?
C27M C26M H26C 108.8 . . ?
C25L C26M H26C 108.8 . . ?
C27M C26M H26D 108.8 . . ?
C25L C26M H26D 108.8 . . ?
H26C C26M H26D 107.7 . . ?
C26M C27M C29L 116(2) . . ?
C26M C27M H27C 108.2 . . ?
C29L C27M H27C 108.2 . . ?
C26M C27M H27D 108.2 . . ?
C29L C27M H27D 108.2 . . ?
H27C C27M H27D 107.3 . . ?
N22L C29L C28L 144(2) . . ?
N22L C29L C27M 159(3) . . ?
C29L N22L Ag3 170.2(16) . 2_765 ?
C31L N31L Ag5 165.1(12) . . ?
N31L C31L C32L 174.1(16) . . ?
C31L C32L C33L 112.7(14) . . ?
C31L C32L H32B 109.1 . . ?
C33L C32L H32B 109.1 . . ?
C31L C32L H32C 109.1 . . ?
C33L C32L H32C 109.1 . . ?
H32B C32L H32C 107.8 . . ?
C32L C33L C34L 113.5(15) . . ?
C32L C33L H33A 108.9 . . ?
C34L C33L H33A 108.9 . . ?
C32L C33L H33B 108.9 . . ?
C34L C33L H33B 108.9 . . ?
H33A C33L H33B 107.7 . . ?
C33L C34L C35L 111.8(14) . . ?
C33L C34L H34B 109.3 . . ?
C35L C34L H34B 109.3 . . ?
C33L C34L H34C 109.3 . . ?
C35L C34L H34C 109.3 . . ?
H34B C34L H34C 107.9 . . ?
C34L C35L C36L 113.2(14) . . ?
C34L C35L H35B 108.9 . . ?
C36L C35L H35B 108.9 . . ?
C34L C35L H35C 108.9 . . ?
C36L C35L H35C 108.9 . . ?
H35B C35L H35C 107.8 . . ?
C37L C36L C35L 126(2) . . ?
C37L C36L H36A 105.8 . . ?
C35L C36L H36A 105.8 . . ?
C37L C36L H36B 105.8 . . ?
C35L C36L H36B 105.8 . . ?
H36A C36L H36B 106.2 . . ?
C36L C37L C38L 123(3) . . ?
C36L C37L C38M 99(4) . . ?
C36L C37L H37A 106.6 . . ?
C38L C37L H37A 106.6 . . ?
C36L C37L H37B 106.6 . . ?
C38L C37L H37B 106.6 . . ?
H37A C37L H37B 106.5 . . ?
C37L C38L C39L 110.5(18) . . ?
C37L C38L H38A 109.5 . . ?
C39L C38L H38A 109.5 . . ?
C37L C38L H38B 109.5 . . ?
C39L C38L H38B 109.5 . . ?
H38A C38L H38B 108.1 . . ?
C37L C38M C39L 87(4) . . ?
C37L C38M H38C 114.2 . . ?
C39L C38M H38C 114.2 . . ?
C37L C38M H38D 114.2 . . ?
C39L C38M H38D 114.2 . . ?
H38C C38M H38D 111.3 . . ?
N32L C39L C38L 177(3) . . ?
N32L C39L C38M 153(3) . . ?
C39L N32L Ag6 171.0(14) . 1_545 ?
C41L N41L Ag7 166.3(12) . . ?
N41L C41L C42L 176(2) . . ?
N41L C41L C42M 163(3) . . ?
C41L C42L C43L 108(2) . . ?
C41L C42L H42A 110.1 . . ?
C43L C42L H42A 110.1 . . ?
C41L C42L H42B 110.1 . . ?
C43L C42L H42B 110.1 . . ?
H42A C42L H42B 108.4 . . ?
C41L C42M C43M 99(4) . . ?
C41L C42M H42C 111.9 . . ?
C43M C42M H42C 111.9 . . ?
C41L C42M H42D 111.9 . . ?
C43M C42M H42D 111.9 . . ?
H42C C42M H42D 109.6 . . ?
C44L C45L C46L 118(2) . . ?
C46L C45L C44M 132(3) . . ?
C44L C45L H45B 107.8 . . ?
C46L C45L H45B 107.8 . . ?
C44L C45L H45C 107.8 . . ?
C46L C45L H45C 107.8 . . ?
H45B C45L H45C 107.1 . . ?
C46L C45L H45D 104.2 . . ?
C44M C45L H45D 104.2 . . ?
C46L C45L H45E 104.2 . . ?
C44M C45L H45E 104.2 . . ?
H45D C45L H45E 105.5 . . ?
C47L C46L C45L 116(2) . . ?
C47L C46L H46A 108.3 . . ?
C45L C46L H46A 108.3 . . ?
C47L C46L H46B 108.3 . . ?
C45L C46L H46B 108.3 . . ?
H46A C46L H46B 107.4 . . ?
C46L C47L C48L 124(2) . . ?
C46L C47L C48M 123(3) . . ?
C46L C47L H47A 106.4 . . ?
C48L C47L H47A 106.4 . . ?
C46L C47L H47B 106.4 . . ?
C48L C47L H47B 106.4 . . ?
H47A C47L H47B 106.5 . . ?
C46L C47L H47C 106.5 . . ?
C48M C47L H47C 106.5 . . ?
C46L C47L H47D 106.5 . . ?
C48M C47L H47D 106.5 . . ?
H47C C47L H47D 106.5 . . ?
C44L C43L C42L 110(2) . . ?
C44L C43L H43A 109.7 . . ?
C42L C43L H43A 109.7 . . ?
C44L C43L H43B 109.7 . . ?
C42L C43L H43B 109.7 . . ?
H43A C43L H43B 108.2 . . ?
C45L C44L C43L 115(2) . . ?
C45L C44L H44A 108.6 . . ?
C43L C44L H44A 108.6 . . ?
C45L C44L H44B 108.6 . . ?
C43L C44L H44B 108.6 . . ?
H44A C44L H44B 107.6 . . ?
C47L C48L C49L 137(3) . . ?
C47L C48L H48A 102.8 . . ?
C49L C48L H48A 102.8 . . ?
C47L C48L H48B 102.8 . . ?
C49L C48L H48B 102.8 . . ?
H48A C48L H48B 105.0 . . ?
N42L C49L C48L 117(3) . . ?
C44M C43M C42M 117(3) . . ?
C44M C43M H43C 108.1 . . ?
C42M C43M H43C 108.1 . . ?
C44M C43M H43D 108.1 . . ?
C42M C43M H43D 108.1 . . ?
H43C C43M H43D 107.3 . . ?
C43M C44M C45L 117(3) . . ?
C43M C44M H44C 108.1 . . ?
C45L C44M H44C 108.1 . . ?
C43M C44M H44D 108.1 . . ?
C45L C44M H44D 108.1 . . ?
H44C C44M H44D 107.3 . . ?
C47L C48M C49M 96(2) . . ?
C47L C48M H48C 112.6 . . ?
C49M C48M H48C 112.6 . . ?
C47L C48M H48D 112.6 . . ?
C49M C48M H48D 112.6 . . ?
H48C C48M H48D 110.1 . . ?
N42L C49M C48M 150(3) . . ?
C51L N51L Ag8 172.8(10) . . ?
N51L C51L C52L 166.0(19) . . ?
N51L C51L C56L 162(2) . . ?
C51L C52L C53L 108(2) . . ?
C51L C52L H52B 110.1 . . ?
C53L C52L H52B 110.1 . . ?
C51L C52L H52C 110.1 . . ?
C53L C52L H52C 110.1 . . ?
H52B C52L H52C 108.4 . . ?
C54L C53L C52L 108(2) . . ?
C54L C53L H53A 110.0 . . ?
C52L C53L H53A 110.0 . . ?
C54L C53L H53B 110.0 . . ?
C52L C53L H53B 110.0 . . ?
H53A C53L H53B 108.4 . . ?
C53L C54L C55L 125.9(19) . . ?
C55L C54L C56L 115.8(17) . . ?
C53L C54L H54B 105.9 . . ?
C55L C54L H54B 105.9 . . ?
C53L C54L H54E 105.9 . . ?
C55L C54L H54E 105.9 . . ?
H54B C54L H54E 106.2 . . ?
C55L C55L C54L 120.1(18) 2_656 . ?
C55L C55L H55B 107.3 2_656 . ?
C54L C55L H55B 107.3 . . ?
C55L C55L H55C 107.3 2_656 . ?
C54L C55L H55C 107.3 . . ?
H55B C55L H55C 106.9 . . ?
C51L C56L C54L 114(2) . . ?
C51L C56L H56A 108.8 . . ?
C54L C56L H56A 108.8 . . ?
C51L C56L H56B 108.8 . . ?
C54L C56L H56B 108.8 . . ?
H56A C56L H56B 107.7 . . ?
C12 C11 C111 128.4(16) . . ?
C12 C11 C15 100.6(15) . . ?
C111 C11 C15 127.8(15) . . ?
C12 C11 Ta1 73.8(8) . . ?
C111 C11 Ta1 132.3(10) . . ?
C15 C11 Ta1 72.0(8) . . ?
C13 C12 C11 108.4(16) . . ?
C13 C12 Ta1 70.2(8) . . ?
C11 C12 Ta1 71.3(8) . . ?
C13 C12 H12E 125.8 . . ?
C11 C12 H12E 125.8 . . ?
Ta1 C12 H12E 125.8 . . ?
C14 C13 C12 109.0(16) . . ?
C14 C13 C131 129.4(17) . . ?
C12 C13 C131 119.6(18) . . ?
C14 C13 Ta1 73.6(10) . . ?
C12 C13 Ta1 74.8(8) . . ?
C131 C13 Ta1 130.5(10) . . ?
C15 C14 C13 109.5(17) . . ?
C15 C14 Ta1 75.3(9) . . ?
C13 C14 Ta1 73.0(8) . . ?
C15 C14 H14E 125.0 . . ?
C13 C14 H14E 125.0 . . ?
Ta1 C14 H14E 125.0 . . ?
C14 C15 C11 112.0(16) . . ?
C14 C15 Ta1 72.8(9) . . ?
C11 C15 Ta1 71.3(8) . . ?
C14 C15 H15A 124.0 . . ?
C11 C15 H15A 124.0 . . ?
Ta1 C15 H15A 124.0 . . ?
C11 C111 C112 112.0(15) . . ?
C11 C111 C114 109.3(14) . . ?
C112 C111 C114 108.9(16) . . ?
C11 C111 C113 107.7(14) . . ?
C112 C111 C113 110.9(15) . . ?
C114 C111 C113 108.0(15) . . ?
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 . . ?
C13 C131 C134 106.3(17) . . ?
C13 C131 C132 101.7(14) . . ?
C134 C131 C132 115.0(19) . . ?
C13 C131 C133 108.4(15) . . ?
C134 C131 C133 112.6(19) . . ?
C132 C131 C133 111.8(18) . . ?
C131 C132 H13C 109.5 . . ?
C131 C132 H13D 109.5 . . ?
H13C C132 H13D 109.5 . . ?
C131 C132 H13E 109.5 . . ?
H13C C132 H13E 109.5 . . ?
H13D C132 H13E 109.5 . . ?
C131 C133 H13F 109.5 . . ?
C131 C133 H13G 109.5 . . ?
H13F C133 H13G 109.5 . . ?
C131 C133 H13H 109.5 . . ?
H13F C133 H13H 109.5 . . ?
H13G C133 H13H 109.5 . . ?
C131 C134 H13I 109.5 . . ?
C131 C134 H13J 109.5 . . ?
H13I C134 H13J 109.5 . . ?
C131 C134 H13K 109.5 . . ?
H13I C134 H13K 109.5 . . ?
H13J C134 H13K 109.5 . . ?
C32 C31 C35 104.0(15) . . ?
C32 C31 C311 128.2(17) . . ?
C35 C31 C311 126.2(17) . . ?
C32 C31 Ta3 72.0(8) . . ?
C35 C31 Ta3 70.5(9) . . ?
C311 C31 Ta3 132.3(12) . . ?
C33 C32 C31 113.1(14) . . ?
C33 C32 Ta3 73.2(7) . . ?
C31 C32 Ta3 73.2(8) . . ?
C33 C32 H32A 123.4 . . ?
C31 C32 H32A 123.4 . . ?
Ta3 C32 H32A 123.4 . . ?
C32 C33 C34 103.6(16) . . ?
C32 C33 C331 128.9(14) . . ?
C34 C33 C331 124.7(16) . . ?
C32 C33 Ta3 72.4(7) . . ?
C34 C33 Ta3 72.7(8) . . ?
C331 C33 Ta3 133.4(11) . . ?
C35 C34 C33 111.5(16) . . ?
C35 C34 Ta3 71.4(10) . . ?
C33 C34 Ta3 72.4(8) . . ?
C35 C34 H34A 124.3 . . ?
C33 C34 H34A 124.3 . . ?
Ta3 C34 H34A 124.3 . . ?
C34 C35 C31 107.6(15) . . ?
C34 C35 Ta3 74.5(10) . . ?
C31 C35 Ta3 73.5(9) . . ?
C34 C35 H35A 125.8 . . ?
C31 C35 H35A 125.8 . . ?
Ta3 C35 H35A 125.8 . . ?
C31 C311 C313 103.3(16) . . ?
C31 C311 C312 110.8(18) . . ?
C313 C311 C312 116(2) . . ?
C31 C311 C314 110.2(17) . . ?
C313 C311 C314 110.0(18) . . ?
C312 C311 C314 107(2) . . ?
C311 C312 H31A 109.5 . . ?
C311 C312 H31B 109.5 . . ?
H31A C312 H31B 109.5 . . ?
C311 C312 H31C 109.5 . . ?
H31A C312 H31C 109.5 . . ?
H31B C312 H31C 109.5 . . ?
C311 C313 H31D 109.5 . . ?
C311 C313 H31E 109.5 . . ?
H31D C313 H31E 109.5 . . ?
C311 C313 H31F 109.5 . . ?
H31D C313 H31F 109.5 . . ?
H31E C313 H31F 109.5 . . ?
C311 C314 H31G 109.5 . . ?
C311 C314 H31H 109.5 . . ?
H31G C314 H31H 109.5 . . ?
C311 C314 H31I 109.5 . . ?
H31G C314 H31I 109.5 . . ?
H31H C314 H31I 109.5 . . ?
C33 C331 C333 111.2(17) . . ?
C33 C331 C334 108.1(14) . . ?
C333 C331 C334 109.7(16) . . ?
C33 C331 C332 115.1(15) . . ?
C333 C331 C332 107.5(15) . . ?
C334 C331 C332 105.0(17) . . ?
C331 C332 H33C 109.5 . . ?
C331 C332 H33D 109.5 . . ?
H33C C332 H33D 109.5 . . ?
C331 C332 H33E 109.5 . . ?
H33C C332 H33E 109.5 . . ?
H33D C332 H33E 109.5 . . ?
C331 C333 H33F 109.5 . . ?
C331 C333 H33G 109.5 . . ?
H33F C333 H33G 109.5 . . ?
C331 C333 H33H 109.5 . . ?
H33F C333 H33H 109.5 . . ?
H33G C333 H33H 109.5 . . ?
C331 C334 H33I 109.5 . . ?
C331 C334 H33J 109.5 . . ?
H33I C334 H33J 109.5 . . ?
C331 C334 H33K 109.5 . . ?
H33I C334 H33K 109.5 . . ?
H33J C334 H33K 109.5 . . ?
C42 C41 C45 107.4(15) . . ?
C42 C41 C411 127.7(14) . . ?
C45 C41 C411 123.8(14) . . ?
C42 C41 Ta4 70.9(9) . . ?
C45 C41 Ta4 72.4(9) . . ?
C411 C41 Ta4 131.3(9) . . ?
C43 C42 C41 109.7(16) . . ?
C43 C42 Ta4 74.3(8) . . ?
C41 C42 Ta4 73.8(8) . . ?
C43 C42 H42E 124.9 . . ?
C41 C42 H42E 124.9 . . ?
Ta4 C42 H42E 124.9 . . ?
C42 C43 C44 110.2(17) . . ?
C42 C43 C431 125.1(15) . . ?
C44 C43 C431 123.3(14) . . ?
C42 C43 Ta4 72.4(7) . . ?
C44 C43 Ta4 73.5(8) . . ?
C431 C43 Ta4 131.5(10) . . ?
C43 C44 C45 109.4(14) . . ?
C43 C44 Ta4 73.3(8) . . ?
C45 C44 Ta4 72.2(7) . . ?
C43 C44 H44E 125.2 . . ?
C45 C44 H44E 125.2 . . ?
Ta4 C44 H44E 125.2 . . ?
C41 C45 C44 103.1(13) . . ?
C41 C45 Ta4 72.2(8) . . ?
C44 C45 Ta4 71.1(8) . . ?
C41 C45 H45A 128.0 . . ?
C44 C45 H45A 128.0 . . ?
Ta4 C45 H45A 128.0 . . ?
C416 C411 C414 129(3) . . ?
C416 C411 C41 106(2) . . ?
C414 C411 C41 115.1(15) . . ?
C414 C411 C413 112.4(17) . . ?
C41 C411 C413 110.1(17) . . ?
C414 C411 C412 101.7(18) . . ?
C41 C411 C412 112.7(15) . . ?
C413 C411 C412 104.1(18) . . ?
C416 C411 C415 106(2) . . ?
C414 C411 C415 95.8(18) . . ?
C41 C411 C415 99.2(19) . . ?
C411 C414 H41A 109.5 . . ?
C411 C414 H41B 109.5 . . ?
H41A C414 H41B 109.5 . . ?
C411 C414 H41C 109.5 . . ?
H41A C414 H41C 109.5 . . ?
H41B C414 H41C 109.5 . . ?
C411 C412 H41D 109.5 . . ?
C411 C412 H41E 109.5 . . ?
H41D C412 H41E 109.5 . . ?
C411 C412 H41F 109.5 . . ?
H41D C412 H41F 109.5 . . ?
H41E C412 H41F 109.5 . . ?
C411 C413 H41G 109.5 . . ?
C411 C413 H41H 109.5 . . ?
H41G C413 H41H 109.5 . . ?
C411 C413 H41I 109.5 . . ?
H41G C413 H41I 109.5 . . ?
H41H C413 H41I 109.5 . . ?
C411 C415 H41J 109.5 . . ?
C411 C415 H41K 109.5 . . ?
H41J C415 H41K 109.5 . . ?
C411 C415 H41L 109.5 . . ?
H41J C415 H41L 109.5 . . ?
H41K C415 H41L 109.5 . . ?
C411 C416 H41M 109.5 . . ?
C411 C416 H41N 109.5 . . ?
H41M C416 H41N 109.5 . . ?
C411 C416 H41O 109.5 . . ?
H41M C416 H41O 109.5 . . ?
H41N C416 H41O 109.5 . . ?
C432 C431 C433 111.3(18) . . ?
C432 C431 C43 106.0(18) . . ?
C433 C431 C43 112.1(14) . . ?
C432 C431 C434 108.8(16) . . ?
C433 C431 C434 109.4(18) . . ?
C43 C431 C434 109.1(15) . . ?
C431 C432 H43N 109.5 . . ?
C431 C432 H43O 109.5 . . ?
H43N C432 H43O 109.5 . . ?
C431 C432 H43P 109.5 . . ?
H43N C432 H43P 109.5 . . ?
H43O C432 H43P 109.5 . . ?
C431 C433 H43G 109.5 . . ?
C431 C433 H43E 109.5 . . ?
H43G C433 H43E 109.5 . . ?
C431 C433 H43F 109.5 . . ?
H43G C433 H43F 109.5 . . ?
H43E C433 H43F 109.5 . . ?
C431 C434 H43J 109.5 . . ?
C431 C434 H43H 109.5 . . ?
H43J C434 H43H 109.5 . . ?
C431 C434 H43I 109.5 . . ?
H43J C434 H43I 109.5 . . ?
H43H C434 H43I 109.5 . . ?
C52 C51 C55 106.0(14) . . ?
C52 C51 C511 126.8(16) . . ?
C55 C51 C511 126.5(17) . . ?
C52 C51 Ta5 71.7(7) . . ?
C55 C51 Ta5 72.7(8) . . ?
C511 C51 Ta5 127.4(8) . . ?
C51 C52 C53 110.3(15) . . ?
C51 C52 Ta5 74.3(8) . . ?
C53 C52 Ta5 73.4(7) . . ?
C51 C52 H52A 124.7 . . ?
C53 C52 H52A 124.7 . . ?
Ta5 C52 H52A 124.7 . . ?
C54 C53 C52 107.2(15) . . ?
C54 C53 C531 131.4(17) . . ?
C52 C53 C531 120.6(17) . . ?
C54 C53 Ta5 72.0(8) . . ?
C52 C53 Ta5 72.2(7) . . ?
C531 C53 Ta5 128.8(11) . . ?
C53 C54 C55 107.5(16) . . ?
C53 C54 Ta5 73.8(8) . . ?
C55 C54 Ta5 73.9(8) . . ?
C53 C54 H54A 125.9 . . ?
C55 C54 H54A 125.9 . . ?
Ta5 C54 H54A 125.9 . . ?
C51 C55 C54 108.9(17) . . ?
C51 C55 Ta5 73.1(8) . . ?
C54 C55 Ta5 71.3(9) . . ?
C51 C55 H55A 125.4 . . ?
C54 C55 H55A 125.4 . . ?
Ta5 C55 H55A 125.4 . . ?
C513 C511 C514 108.2(16) . . ?
C513 C511 C51 113.0(14) . . ?
C514 C511 C51 104.1(12) . . ?
C513 C511 C512 117.2(15) . . ?
C514 C511 C512 105.1(16) . . ?
C51 C511 C512 108.1(16) . . ?
C511 C512 H51B 109.5 . . ?
C511 C512 H51C 109.5 . . ?
H51B C512 H51C 109.5 . . ?
C511 C512 H51D 109.5 . . ?
H51B C512 H51D 109.5 . . ?
H51C C512 H51D 109.5 . . ?
C511 C513 H51E 109.5 . . ?
C511 C513 H51F 109.5 . . ?
H51E C513 H51F 109.5 . . ?
C511 C513 H51G 109.5 . . ?
H51E C513 H51G 109.5 . . ?
H51F C513 H51G 109.5 . . ?
C511 C514 H51H 109.5 . . ?
C511 C514 H51I 109.5 . . ?
H51H C514 H51I 109.5 . . ?
C511 C514 H51J 109.5 . . ?
H51H C514 H51J 109.5 . . ?
H51I C514 H51J 109.5 . . ?
C532 C531 C533 113(2) . . ?
C532 C531 C53 115.2(16) . . ?
C533 C531 C53 101.4(17) . . ?
C532 C531 C534 117(2) . . ?
C533 C531 C534 105.5(19) . . ?
C53 C531 C534 102.9(17) . . ?
C531 C532 H53C 109.5 . . ?
C531 C532 H53D 109.5 . . ?
H53C C532 H53D 109.5 . . ?
C531 C532 H53E 109.5 . . ?
H53C C532 H53E 109.5 . . ?
H53D C532 H53E 109.5 . . ?
C531 C533 H53F 109.5 . . ?
C531 C533 H53G 109.5 . . ?
H53F C533 H53G 109.5 . . ?
C531 C533 H53H 109.5 . . ?
H53F C533 H53H 109.5 . . ?
H53G C533 H53H 109.5 . . ?
C531 C534 H53I 109.5 . . ?
C531 C534 H53J 109.5 . . ?
H53I C534 H53J 109.5 . . ?
C531 C534 H53K 109.5 . . ?
H53I C534 H53K 109.5 . . ?
H53J C534 H53K 109.5 . . ?
C62 C61 C65 106.1(9) . . ?
C62 C61 C611 126.7(9) . . ?
C65 C61 C611 125.3(10) . . ?
C62 C61 Ta6 72.1(5) . . ?
C65 C61 Ta6 73.1(5) . . ?
C611 C61 Ta6 131.8(7) . . ?
C61 C62 C63 109.0(9) . . ?
C61 C62 Ta6 73.2(5) . . ?
C63 C62 Ta6 72.5(5) . . ?
C61 C62 H62A 125.3 . . ?
C63 C62 H62A 125.3 . . ?
Ta6 C62 H62A 125.3 . . ?
C64 C63 C62 106.8(9) . . ?
C64 C63 C631 127.0(10) . . ?
C62 C63 C631 124.6(10) . . ?
C64 C63 Ta6 73.3(6) . . ?
C62 C63 Ta6 72.4(5) . . ?
C631 C63 Ta6 130.6(7) . . ?
C63 C64 C65 110.8(10) . . ?
C63 C64 Ta6 73.4(6) . . ?
C65 C64 Ta6 73.9(7) . . ?
C63 C64 H64A 124.5 . . ?
C65 C64 H64A 124.5 . . ?
Ta6 C64 H64A 124.5 . . ?
C64 C65 C61 107.2(10) . . ?
C64 C65 Ta6 71.7(7) . . ?
C61 C65 Ta6 72.1(6) . . ?
C64 C65 H65A 126.3 . . ?
C61 C65 H65A 126.3 . . ?
Ta6 C65 H65A 126.3 . . ?
C614 C611 C612 111.6(11) . . ?
C614 C611 C61 107.6(9) . . ?
C612 C611 C61 112.0(9) . . ?
C614 C611 C613 106.9(10) . . ?
C612 C611 C613 108.6(11) . . ?
C61 C611 C613 110.0(9) . . ?
C611 C612 H61A 109.5 . . ?
C611 C612 H61B 109.5 . . ?
H61A C612 H61B 109.5 . . ?
C611 C612 H61C 109.5 . . ?
H61A C612 H61C 109.5 . . ?
H61B C612 H61C 109.5 . . ?
C611 C613 H61D 109.5 . . ?
C611 C613 H61E 109.5 . . ?
H61D C613 H61E 109.5 . . ?
C611 C613 H61F 109.5 . . ?
H61D C613 H61F 109.5 . . ?
H61E C613 H61F 109.5 . . ?
C611 C614 H61G 109.5 . . ?
C611 C614 H61H 109.5 . . ?
H61G C614 H61H 109.5 . . ?
C611 C614 H61I 109.5 . . ?
H61G C614 H61I 109.5 . . ?
H61H C614 H61I 109.5 . . ?
C63 C631 C633 105.7(9) . . ?
C63 C631 C632 111.9(9) . . ?
C633 C631 C632 109.4(11) . . ?
C63 C631 C634 109.5(10) . . ?
C633 C631 C634 109.3(11) . . ?
C632 C631 C634 110.9(10) . . ?
C631 C632 H63A 109.5 . . ?
C631 C632 H63B 109.5 . . ?
H63A C632 H63B 109.5 . . ?
C631 C632 H63C 109.5 . . ?
H63A C632 H63C 109.5 . . ?
H63B C632 H63C 109.5 . . ?
C631 C633 H63D 109.5 . . ?
C631 C633 H63E 109.5 . . ?
H63D C633 H63E 109.5 . . ?
C631 C633 H63F 109.5 . . ?
H63D C633 H63F 109.5 . . ?
H63E C633 H63F 109.5 . . ?
C631 C634 H63G 109.5 . . ?
C631 C634 H63H 109.5 . . ?
H63G C634 H63H 109.5 . . ?
C631 C634 H63I 109.5 . . ?
H63G C634 H63I 109.5 . . ?
H63H C634 H63I 109.5 . . ?
C72 C71 C75 108.5(11) . . ?
C72 C71 C711 124.8(11) . . ?
C75 C71 C711 125.2(11) . . ?
C72 C71 Ta7 73.5(6) . . ?
C75 C71 Ta7 74.1(6) . . ?
C711 C71 Ta7 129.5(7) . . ?
C71 C72 C73 109.0(11) . . ?
C71 C72 Ta7 72.5(6) . . ?
C73 C72 Ta7 73.4(6) . . ?
C71 C72 H72A 125.3 . . ?
C73 C72 H72A 125.3 . . ?
Ta7 C72 H72A 125.3 . . ?
C72 C73 C74 106.8(11) . . ?
C72 C73 C731 127.0(11) . . ?
C74 C73 C731 124.8(12) . . ?
C72 C73 Ta7 72.3(6) . . ?
C74 C73 Ta7 72.4(7) . . ?
C731 C73 Ta7 131.1(8) . . ?
C75 C74 C73 107.3(11) . . ?
C75 C74 Ta7 73.0(7) . . ?
C73 C74 Ta7 72.7(7) . . ?
C75 C74 H74A 126.1 . . ?
C73 C74 H74A 126.1 . . ?
Ta7 C74 H74A 126.1 . . ?
C71 C75 C74 108.4(11) . . ?
C71 C75 Ta7 71.9(6) . . ?
C74 C75 Ta7 72.6(7) . . ?
C71 C75 H75A 125.7 . . ?
C74 C75 H75A 125.7 . . ?
Ta7 C75 H75A 125.7 . . ?
C713 C711 C712 109.5(11) . . ?
C713 C711 C714 108.5(12) . . ?
C712 C711 C714 108.3(10) . . ?
C713 C711 C71 111.9(10) . . ?
C712 C711 C71 107.3(10) . . ?
C714 C711 C71 111.3(11) . . ?
C711 C712 H71A 109.5 . . ?
C711 C712 H71B 109.5 . . ?
H71A C712 H71B 109.5 . . ?
C711 C712 H71C 109.5 . . ?
H71A C712 H71C 109.5 . . ?
H71B C712 H71C 109.5 . . ?
C711 C713 H71D 109.5 . . ?
C711 C713 H71E 109.5 . . ?
H71D C713 H71E 109.5 . . ?
C711 C713 H71F 109.5 . . ?
H71D C713 H71F 109.5 . . ?
H71E C713 H71F 109.5 . . ?
C711 C714 H71G 109.5 . . ?
C711 C714 H71H 109.5 . . ?
H71G C714 H71H 109.5 . . ?
C711 C714 H71I 109.5 . . ?
H71G C714 H71I 109.5 . . ?
H71H C714 H71I 109.5 . . ?
C734 C731 C73 112.0(12) . . ?
C734 C731 C732 116.1(13) . . ?
C73 C731 C732 105.6(12) . . ?
C734 C731 C733 105.1(14) . . ?
C73 C731 C733 110.0(11) . . ?
C732 C731 C733 108.0(12) . . ?
C731 C732 H73G 109.5 . . ?
C731 C732 H73H 109.5 . . ?
H73G C732 H73H 109.5 . . ?
C731 C732 H73I 109.5 . . ?
H73G C732 H73I 109.5 . . ?
H73H C732 H73I 109.5 . . ?
C731 C733 H73A 109.5 . . ?
C731 C733 H73B 109.5 . . ?
H73A C733 H73B 109.5 . . ?
C731 C733 H73C 109.5 . . ?
H73A C733 H73C 109.5 . . ?
H73B C733 H73C 109.5 . . ?
C731 C734 H73D 109.5 . . ?
C731 C734 H73E 109.5 . . ?
H73D C734 H73E 109.5 . . ?
C731 C734 H73F 109.5 . . ?
H73D C734 H73F 109.5 . . ?
H73E C734 H73F 109.5 . . ?
C85 C81 C82 106.4(14) . . ?
C85 C81 C811 126.4(14) . . ?
C82 C81 C811 126.2(16) . . ?
C85 C81 Ta8 72.6(8) . . ?
C82 C81 Ta8 70.6(7) . . ?
C811 C81 Ta8 130.8(10) . . ?
C83 C82 C81 110.6(14) . . ?
C83 C82 Ta8 75.1(8) . . ?
C81 C82 Ta8 74.9(8) . . ?
C83 C82 H82A 124.4 . . ?
C81 C82 H82A 124.4 . . ?
Ta8 C82 H82A 124.4 . . ?
C82 C83 C84 106.6(13) . . ?
C82 C83 C831 130.3(14) . . ?
C84 C83 C831 122.1(15) . . ?
C82 C83 Ta8 70.8(7) . . ?
C84 C83 Ta8 72.3(8) . . ?
C831 C83 Ta8 130.7(8) . . ?
C83 C84 C85 107.0(15) . . ?
C83 C84 Ta8 73.1(7) . . ?
C85 C84 Ta8 72.5(8) . . ?
C83 C84 H84A 126.2 . . ?
C85 C84 H84A 126.2 . . ?
Ta8 C84 H84A 126.2 . . ?
C81 C85 C84 109.3(13) . . ?
C81 C85 Ta8 73.7(7) . . ?
C84 C85 Ta8 72.7(7) . . ?
C81 C85 H85A 125.2 . . ?
C84 C85 H85A 125.2 . . ?
Ta8 C85 H85A 125.2 . . ?
C814 C811 C812 102(2) . . ?
C814 C811 C813 116(3) . . ?
C812 C811 C813 110(3) . . ?
C814 C811 C815 98(6) . . ?
C812 C811 C815 115(5) . . ?
C814 C811 C81 112.5(14) . . ?
C812 C811 C81 113.2(17) . . ?
C813 C811 C81 103(2) . . ?
C815 C811 C81 114(4) . . ?
C811 C812 H81A 109.5 . . ?
C811 C812 H81B 109.5 . . ?
H81A C812 H81B 109.5 . . ?
C811 C812 H81C 109.5 . . ?
H81A C812 H81C 109.5 . . ?
H81B C812 H81C 109.5 . . ?
C811 C813 H81D 109.5 . . ?
C811 C813 H81E 109.5 . . ?
H81D C813 H81E 109.5 . . ?
C811 C813 H81F 109.5 . . ?
H81D C813 H81F 109.5 . . ?
H81E C813 H81F 109.5 . . ?
C811 C815 H81K 109.5 . . ?
C811 C815 H81L 109.5 . . ?
H81K C815 H81L 109.5 . . ?
C811 C815 H81M 109.5 . . ?
H81K C815 H81M 109.5 . . ?
H81L C815 H81M 109.5 . . ?
C811 C814 H81G 109.5 . . ?
C811 C814 H81H 109.5 . . ?
H81G C814 H81H 109.5 . . ?
C811 C814 H81I 109.5 . . ?
H81G C814 H81I 109.5 . . ?
H81H C814 H81I 109.5 . . ?
C834 C831 C833 101.8(16) . . ?
C834 C831 C832 113.2(16) . . ?
C833 C831 C832 112.0(15) . . ?
C834 C831 C83 116.2(14) . . ?
C833 C831 C83 110.0(13) . . ?
C832 C831 C83 104.0(11) . . ?
C831 C832 H83A 109.5 . . ?
C831 C832 H83B 109.5 . . ?
H83A C832 H83B 109.5 . . ?
C831 C832 H83C 109.5 . . ?
H83A C832 H83C 109.5 . . ?
H83B C832 H83C 109.5 . . ?
C831 C833 H83D 109.5 . . ?
C831 C833 H83E 109.5 . . ?
H83D C833 H83E 109.5 . . ?
C831 C833 H83F 109.5 . . ?
H83D C833 H83F 109.5 . . ?
H83E C833 H83F 109.5 . . ?
C831 C834 H83G 109.5 . . ?
C831 C834 H83H 109.5 . . ?
H83G C834 H83H 109.5 . . ?
C831 C834 H83I 109.5 . . ?
H83G C834 H83I 109.5 . . ?
H83H C834 H83I 109.5 . . ?
F12 Sb1 F14 90.0 . . ?
F12 Sb1 F11 90.0 . . ?
F14 Sb1 F11 90.0 . . ?
F12 Sb1 F13 90.0 . . ?
F14 Sb1 F13 179.93(6) . . ?
F11 Sb1 F13 90.0 . . ?
F12 Sb1 F16 90.0 . . ?
F14 Sb1 F16 90.0 . . ?
F11 Sb1 F16 179.95(7) . . ?
F13 Sb1 F16 90.0 . . ?
F12 Sb1 F15 180.0 . . ?
F14 Sb1 F15 89.9 . . ?
F11 Sb1 F15 90.0 . . ?
F13 Sb1 F15 90.0 . . ?
F16 Sb1 F15 90.0 . . ?
F16A Sb1A F15A 90.0 . . ?
F16A Sb1A F13A 90.0 . . ?
F15A Sb1A F13A 90.0 . . ?
F16A Sb1A F14A 90.0 . . ?
F15A Sb1A F14A 90.0 . . ?
F13A Sb1A F14A 180.0 . . ?
F16A Sb1A F11A 180.0 . . ?
F15A Sb1A F11A 90.0 . . ?
F13A Sb1A F11A 90.0 . . ?
F14A Sb1A F11A 90.0 . . ?
F16A Sb1A F12A 90.0 . . ?
F15A Sb1A F12A 179.97(6) . . ?
F13A Sb1A F12A 90.0 . . ?
F14A Sb1A F12A 90.0 . . ?
F11A Sb1A F12A 90.0 . . ?
F13C Sb1C F11C 90.0 . . ?
F13C Sb1C F12C 90.0 . . ?
F11C Sb1C F12C 90.0 . . ?
F13C Sb1C F15C 90.0 . . ?
F11C Sb1C F15C 90.0 . . ?
F12C Sb1C F15C 179.93(13) . . ?
F13C Sb1C F16C 90.0 . . ?
F11C Sb1C F16C 180.0 . . ?
F12C Sb1C F16C 90.0 . . ?
F15C Sb1C F16C 90.0 . . ?
F13C Sb1C F14C 179.96(6) . . ?
F11C Sb1C F14C 90.0 . . ?
F12C Sb1C F14C 90.0 . . ?
F15C Sb1C F14C 90.0 . . ?
F16C Sb1C F14C 90.0 . . ?
Cl18 C11S Cl19 111(5) . . ?
Cl18 C11S H11J 109.4 . . ?
Cl19 C11S H11J 109.4 . . ?
Cl18 C11S H11K 109.4 . . ?
Cl19 C11S H11K 109.4 . . ?
H11J C11S H11K 108.0 . . ?
F16B Sb1B F11B 180.0 . . ?
F16B Sb1B F12B 90.0 . . ?
F11B Sb1B F12B 90.0 . . ?
F16B Sb1B F13B 90.0 . . ?
F11B Sb1B F13B 90.0 . . ?
F12B Sb1B F13B 90.0 . . ?
F16B Sb1B F15B 90.0 . . ?
F11B Sb1B F15B 90.0 . . ?
F12B Sb1B F15B 179.9 . . ?
F13B Sb1B F15B 90.0 . . ?
F16B Sb1B F14B 90.0 . . ?
F11B Sb1B F14B 90.0 . . ?
F12B Sb1B F14B 90.0 . . ?
F13B Sb1B F14B 180.0 . . ?
F15B Sb1B F14B 90.0 . . ?
F16D Sb1D F13D 90.0 . . ?
F16D Sb1D F11D 179.97(11) . . ?
F13D Sb1D F11D 90.0 . . ?
F16D Sb1D F15D 90.0 . . ?
F13D Sb1D F15D 90.0 . . ?
F11D Sb1D F15D 90.0 . . ?
F16D Sb1D F14D 90.0 . . ?
F13D Sb1D F14D 180(4) . . ?
F11D Sb1D F14D 90.0 . . ?
F15D Sb1D F14D 90.0 . . ?
F16D Sb1D F12D 90.0 . . ?
F13D Sb1D F12D 90.0 . . ?
F11D Sb1D F12D 90.0 . . ?
F15D Sb1D F12D 179.97(6) . . ?
F14D Sb1D F12D 90.0 . . ?
F13E Sb1E F11E 90.0 . . ?
F13E Sb1E F16E 90.0 . . ?
F11E Sb1E F16E 179.97(5) . . ?
F13E Sb1E F15E 90.0 . . ?
F11E Sb1E F15E 90.0 . . ?
F16E Sb1E F15E 90.0 . . ?
F13E Sb1E F12E 90.0 . . ?
F11E Sb1E F12E 90.0 . . ?
F16E Sb1E F12E 90.0 . . ?
F15E Sb1E F12E 180(3) . . ?
F13E Sb1E F14E 179.93(6) . . ?
F11E Sb1E F14E 90.0 . . ?
F16E Sb1E F14E 90.0 . . ?
F15E Sb1E F14E 90.0 . . ?
F12E Sb1E F14E 89.9 . . ?
F12F Sb1F F13F 90.0 . . ?
F12F Sb1F F11F 90.0 . . ?
F13F Sb1F F11F 90.0 . . ?
F12F Sb1F F14F 90.0 . . ?
F13F Sb1F F14F 180.0(14) . . ?
F11F Sb1F F14F 90.0 . . ?
F12F Sb1F F15F 179.98(7) . . ?
F13F Sb1F F15F 90.0 . . ?
F11F Sb1F F15F 90.0 . . ?
F14F Sb1F F15F 90.0 . . ?
F12F Sb1F F16F 90.0 . . ?
F13F Sb1F F16F 90.0 . . ?
F11F Sb1F F16F 180.0 . . ?
F14F Sb1F F16F 90.0 . . ?
F15F Sb1F F16F 90.0 . . ?
F15L Sb1L F14L 90.0 . . ?
F15L Sb1L F11L 90.0 . . ?
F14L Sb1L F11L 90.0 . . ?
F15L Sb1L F12L 180(3) . . ?
F14L Sb1L F12L 90.0 . . ?
F11L Sb1L F12L 90.0 . . ?
F15L Sb1L F13L 90.0 . . ?
F14L Sb1L F13L 180.0 . . ?
F11L Sb1L F13L 90.0 . . ?
F12L Sb1L F13L 90.0 . . ?
F15L Sb1L F16L 90.0 . . ?
F14L Sb1L F16L 90.0 . . ?
F11L Sb1L F16L 180(6) . . ?
F12L Sb1L F16L 90.0 . . ?
F13L Sb1L F16L 90.0 . . ?
F13L F13L Sb1L 111(9) 2_775 . ?
Sb1K Sb1M Sb1N 68(5) . . ?
Sb1K Sb1M F12M 159(4) . . ?
Sb1N Sb1M F12M 123(4) . . ?
Sb1K Sb1M F15M 21(4) . . ?
Sb1N Sb1M F15M 57(4) . . ?
F12M Sb1M F15M 180.0 . . ?
Sb1K Sb1M F14M 99(4) . . ?
Sb1N Sb1M F14M 120(4) . . ?
F12M Sb1M F14M 90.0 . . ?
F15M Sb1M F14M 90.0 . . ?
Sb1K Sb1M F11M 71(4) . . ?
Sb1N Sb1M F11M 132(5) . . ?
F12M Sb1M F11M 90.0 . . ?
F15M Sb1M F11M 90.0 . . ?
F14M Sb1M F11M 90.0 . . ?
Sb1K Sb1M F16M 109(4) . . ?
Sb1N Sb1M F16M 48(5) . . ?
F12M Sb1M F16M 90.0 . . ?
F15M Sb1M F16M 90.0 . . ?
F14M Sb1M F16M 90.0 . . ?
F11M Sb1M F16M 180.0 . . ?
Sb1K Sb1M F13M 81(4) . . ?
Sb1N Sb1M F13M 60(4) . . ?
F12M Sb1M F13M 90.0 . . ?
F15M Sb1M F13M 90.0 . . ?
F14M Sb1M F13M 180.0 . . ?
F11M Sb1M F13M 90.0 . . ?
F16M Sb1M F13M 90.0 . . ?
Sb1K F11M Sb1M 22.8(16) . . ?
Sb1N F13M Sb1M 33(3) . . ?
Sb1N F13M Sb1K 32(3) . . ?
Sb1M F13M Sb1K 22.2(15) . . ?
Sb1M F14M Sb1K 19.9(13) . . ?
Sb1M F14M Sb1N 20.3(17) . . ?
Sb1K F14M Sb1N 23(2) . . ?
Sb1K F15M Sb1N 40(3) . . ?
Sb1K F15M Sb1M 12(3) . . ?
Sb1N F15M Sb1M 33(3) . . ?
Sb1N F16M Sb1M 32(3) . . ?
Sb1N F16M Sb1K 19(4) . . ?
Sb1M F16M Sb1K 18.1(13) . . ?
Sb1M Sb1K Sb1N 70(6) . . ?
Sb1M Sb1K F15M 147(7) . . ?
Sb1N Sb1K F15M 89(6) . . ?
Sb1M Sb1K F11M 86(4) . . ?
Sb1N Sb1K F11M 145(6) . . ?
F15M Sb1K F11M 123(4) . . ?
Sb1M Sb1K F13M 76(4) . . ?
Sb1N Sb1K F13M 59(5) . . ?
F15M Sb1K F13M 114(4) . . ?
F11M Sb1K F13M 92(2) . . ?
Sb1M Sb1K F14M 61(4) . . ?
Sb1N Sb1K F14M 103(6) . . ?
F15M Sb1K F14M 102(3) . . ?
F11M Sb1K F14M 85(2) . . ?
F13M Sb1K F14M 138(3) . . ?
Sb1M Sb1K F16M 53(4) . . ?
Sb1N Sb1K F16M 28(5) . . ?
F15M Sb1K F16M 97(3) . . ?
F11M Sb1K F16M 139(3) . . ?
F13M Sb1K F16M 80(2) . . ?
F14M Sb1K F16M 75.5(18) . . ?
Sb1K Sb1N Sb1M 42(5) . . ?
Sb1K Sb1N F16M 133(8) . . ?
Sb1M Sb1N F16M 100(6) . . ?
Sb1K Sb1N F15M 51(4) . . ?
Sb1M Sb1N F15M 91(5) . . ?
F16M Sb1N F15M 126(5) . . ?
Sb1K Sb1N F13M 89(6) . . ?
Sb1M Sb1N F13M 87(5) . . ?
F16M Sb1N F13M 121(5) . . ?
F15M Sb1N F13M 112(5) . . ?
Sb1K Sb1N F14M 54(5) . . ?
Sb1M Sb1N F14M 40(3) . . ?
F16M Sb1N F14M 79(3) . . ?
F15M Sb1N F14M 76(3) . . ?
F13M Sb1N F14M 127(4) . . ?
F212 Sb21 F214 90.0 . . ?
F212 Sb21 F211 90.0 . . ?
F214 Sb21 F211 90.0 . . ?
F212 Sb21 F216 90.0 . . ?
F214 Sb21 F216 90.0 . . ?
F211 Sb21 F216 180.0 . . ?
F212 Sb21 F215 180(5) . . ?
F214 Sb21 F215 90.0 . . ?
F211 Sb21 F215 90.0 . . ?
F216 Sb21 F215 90.0 . . ?
F212 Sb21 F213 90.0 . . ?
F214 Sb21 F213 180.0 . . ?
F211 Sb21 F213 90.0 . . ?
F216 Sb21 F213 90.0 . . ?
F215 Sb21 F213 90.0 . . ?
F23 Sb2 F22 90.0 . . ?
F23 Sb2 F25 90.0 . . ?
F22 Sb2 F25 179.94(5) . . ?
F23 Sb2 F21 90.0 . . ?
F22 Sb2 F21 90.0 . . ?
F25 Sb2 F21 90.0 . . ?
F23 Sb2 F24 180.0 . . ?
F22 Sb2 F24 90.0 . . ?
F25 Sb2 F24 90.0 . . ?
F21 Sb2 F24 90.0 . . ?
F23 Sb2 F26 90.0 . . ?
F22 Sb2 F26 90.0 . . ?
F25 Sb2 F26 90.0 . . ?
F21 Sb2 F26 180.0 . . ?
F24 Sb2 F26 90.0 . . ?
F25A Sb2A F26A 90.0 . . ?
F25A Sb2A F23A 90.0 . . ?
F26A Sb2A F23A 90.0 . . ?
F25A Sb2A F22A 180.0 . . ?
F26A Sb2A F22A 90.0 . . ?
F23A Sb2A F22A 90.0 . . ?
F25A Sb2A F21A 90.0 . . ?
F26A Sb2A F21A 180.0 . . ?
F23A Sb2A F21A 90.0 . . ?
F22A Sb2A F21A 90.0 . . ?
F25A Sb2A F24A 90.0 . . ?
F26A Sb2A F24A 90.0 . . ?
F23A Sb2A F24A 180.0 . . ?
F22A Sb2A F24A 90.0 . . ?
F21A Sb2A F24A 90.0 . . ?
F24B Sb2B F26B 90.0 . . ?
F24B Sb2B F21B 90.0 . . ?
F26B Sb2B F21B 179.98(5) . . ?
F24B Sb2B F23B 180.0 . . ?
F26B Sb2B F23B 90.0 . . ?
F21B Sb2B F23B 90.0 . . ?
F24B Sb2B F25B 90.0 . . ?
F26B Sb2B F25B 90.0 . . ?
F21B Sb2B F25B 90.0 . . ?
F23B Sb2B F25B 90.0 . . ?
F24B Sb2B F22B 90.0 . . ?
F26B Sb2B F22B 90.0 . . ?
F21B Sb2B F22B 90.0 . . ?
F23B Sb2B F22B 90.0 . . ?
F25B Sb2B F22B 180.0 . . ?
F26D Sb2D F24D 90.0 . . ?
F26D Sb2D F25D 90.0 . . ?
F24D Sb2D F25D 90.0 . . ?
F26D Sb2D F22D 90.0 . . ?
F24D Sb2D F22D 90.0 . . ?
F25D Sb2D F22D 180.0 . . ?
F26D Sb2D F23D 90.0 . . ?
F24D Sb2D F23D 180.0 . . ?
F25D Sb2D F23D 90.0 . . ?
F22D Sb2D F23D 90.0 . . ?
F26D Sb2D F21D 180.0 . . ?
F24D Sb2D F21D 90.0 . . ?
F25D Sb2D F21D 90.0 . . ?
F22D Sb2D F21D 90.0 . . ?
F23D Sb2D F21D 90.0 . . ?
F22E Sb2E F23E 90.0 . . ?
F22E Sb2E F25E 180.0 . . ?
F23E Sb2E F25E 90.0 . . ?
F22E Sb2E F26E 90.0 . . ?
F23E Sb2E F26E 90.0 . . ?
F25E Sb2E F26E 90.0 . . ?
F22E Sb2E F24E 90.0 . . ?
F23E Sb2E F24E 180.0 . . ?
F25E Sb2E F24E 90.0 . . ?
F26E Sb2E F24E 90.0 . . ?
F22E Sb2E F21E 90.0 . . ?
F23E Sb2E F21E 90.0 . . ?
F25E Sb2E F21E 90.0 . . ?
F26E Sb2E F21E 180.0 . . ?
F24E Sb2E F21E 90.0 . . ?
F21F Sb2F F26F 180.0 . . ?
F21F Sb2F F25F 90.0 . . ?
F26F Sb2F F25F 90.0 . . ?
F21F Sb2F F22F 90.0 . . ?
F26F Sb2F F22F 90.0 . . ?
F25F Sb2F F22F 180.0 . . ?
F21F Sb2F F23F 90.0 . . ?
F26F Sb2F F23F 90.0 . . ?
F25F Sb2F F23F 90.0 . . ?
F22F Sb2F F23F 90.0 . . ?
F21F Sb2F F24F 90.0 . . ?
F26F Sb2F F24F 90.0 . . ?
F25F Sb2F F24F 90.0 . . ?
F22F Sb2F F24F 90.0 . . ?
F23F Sb2F F24F 180.0 . . ?
F35 Sb3 F36 90.0 . . ?
F35 Sb3 F34 90.0 . . ?
F36 Sb3 F34 90.0 . . ?
F35 Sb3 F33 90.0 . . ?
F36 Sb3 F33 90.0 . . ?
F34 Sb3 F33 179.95(7) . . ?
F35 Sb3 F31 90.0 . . ?
F36 Sb3 F31 180.0 . . ?
F34 Sb3 F31 90.0 . . ?
F33 Sb3 F31 90.0 . . ?
F35 Sb3 F32 179.96(12) . . ?
F36 Sb3 F32 90.0 . . ?
F34 Sb3 F32 90.0 . . ?
F33 Sb3 F32 90.0 . . ?
F31 Sb3 F32 90.0 . . ?
F33A Sb3A F31A 90.0 . . ?
F33A Sb3A F34A 180.0 . . ?
F31A Sb3A F34A 90.0 . . ?
F33A Sb3A F35A 90.0 . . ?
F31A Sb3A F35A 90.0 . . ?
F34A Sb3A F35A 90.0 . . ?
F33A Sb3A F36A 90.0 . . ?
F31A Sb3A F36A 180.0 . . ?
F34A Sb3A F36A 90.0 . . ?
F35A Sb3A F36A 90.0 . . ?
F33A Sb3A F32A 90.0 . . ?
F31A Sb3A F32A 90.0 . . ?
F34A Sb3A F32A 90.0 . . ?
F35A Sb3A F32A 180.0 . . ?
F36A Sb3A F32A 90.0 . . ?
F33B Sb3B F36B 90.0 . . ?
F33B Sb3B F35B 90.0 . . ?
F36B Sb3B F35B 90.0 . . ?
F33B Sb3B F32B 90.0 . . ?
F36B Sb3B F32B 90.0 . . ?
F35B Sb3B F32B 180.0 . . ?
F33B Sb3B F31B 90.0 . . ?
F36B Sb3B F31B 180.0 . . ?
F35B Sb3B F31B 90.0 . . ?
F32B Sb3B F31B 90.0 . . ?
F33B Sb3B F34B 179.96(7) . . ?
F36B Sb3B F34B 90.0 . . ?
F35B Sb3B F34B 90.0 . . ?
F32B Sb3B F34B 90.0 . . ?
F31B Sb3B F34B 90.0 . . ?
F44 Sb4 F42 92.4(9) . . ?
F44 Sb4 F43 91.4(8) . . ?
F42 Sb4 F43 176.1(8) . . ?
F44 Sb4 F45 92.0(7) . . ?
F42 Sb4 F45 92.2(7) . . ?
F43 Sb4 F45 88.4(8) . . ?
F44 Sb4 F41 90.8(6) . . ?
F42 Sb4 F41 88.1(7) . . ?
F43 Sb4 F41 91.1(7) . . ?
F45 Sb4 F41 177.2(8) . . ?
F44 Sb4 F46 178.7(9) . . ?
F42 Sb4 F46 88.6(9) . . ?
F43 Sb4 F46 87.6(9) . . ?
F45 Sb4 F46 87.2(8) . . ?
F41 Sb4 F46 90.0(6) . . ?
F45A Sb4A F43A 90.0 . . ?
F45A Sb4A F41A 90.0 . . ?
F43A Sb4A F41A 90.0 . . ?
F45A Sb4A F44A 90.0 . . ?
F43A Sb4A F44A 180.0 . . ?
F41A Sb4A F44A 90.0 . . ?
F45A Sb4A F46A 90.0 . . ?
F43A Sb4A F46A 90.0 . . ?
F41A Sb4A F46A 179.97(6) . . ?
F44A Sb4A F46A 90.0 . . ?
F45A Sb4A F42A 180.0 . . ?
F43A Sb4A F42A 90.0 . . ?
F41A Sb4A F42A 90.0 . . ?
F44A Sb4A F42A 90.0 . . ?
F46A Sb4A F42A 90.0 . . ?
F53 Sb5 F55 90.0 . . ?
F53 Sb5 F52 90.0 . . ?
F55 Sb5 F52 180.0 . . ?
F53 Sb5 F51 90.0 . . ?
F55 Sb5 F51 90.0 . . ?
F52 Sb5 F51 90.0 . . ?
F53 Sb5 F54 180.0 . . ?
F55 Sb5 F54 90.0 . . ?
F52 Sb5 F54 90.0 . . ?
F51 Sb5 F54 90.0 . . ?
F53 Sb5 F56 90.0 . . ?
F55 Sb5 F56 90.0 . . ?
F52 Sb5 F56 90.0 . . ?
F51 Sb5 F56 179.97(7) . . ?
F54 Sb5 F56 90.0 . . ?
F55A Sb5A F52A 180.0 . . ?
F55A Sb5A F53A 90.0 . . ?
F52A Sb5A F53A 90.0 . . ?
F55A Sb5A F51A 90.0 . . ?
F52A Sb5A F51A 90.0 . . ?
F53A Sb5A F51A 90.0 . . ?
F55A Sb5A F54A 90.0 . . ?
F52A Sb5A F54A 90.0 . . ?
F53A Sb5A F54A 180.0 . . ?
F51A Sb5A F54A 90.0 . . ?
F55A Sb5A F56A 90.0 . . ?
F52A Sb5A F56A 90.0 . . ?
F53A Sb5A F56A 90.0 . . ?
F51A Sb5A F56A 179.95(6) . . ?
F54A Sb5A F56A 90.0 . . ?
F54B Sb5B F55B 90.0 . . ?
F54B Sb5B F53B 179.96(8) . . ?
F55B Sb5B F53B 90.0 . . ?
F54B Sb5B F51B 90.0 . . ?
F55B Sb5B F51B 90.0 . . ?
F53B Sb5B F51B 90.0 . . ?
F54B Sb5B F52B 90.0 . . ?
F55B Sb5B F52B 179.97(10) . . ?
F53B Sb5B F52B 90.0 . . ?
F51B Sb5B F52B 90.0 . . ?
F54B Sb5B F56B 90.0 . . ?
F55B Sb5B F56B 90.0 . . ?
F53B Sb5B F56B 90.0 . . ?
F51B Sb5B F56B 180(3) . . ?
F52B Sb5B F56B 90.0 . . ?
F54D Sb5D F52D 90.0 . . ?
F54D Sb5D F51D 90.0 . . ?
F52D Sb5D F51D 90.0 . . ?
F54D Sb5D F56D 90.0 . . ?
F52D Sb5D F56D 90.0 . . ?
F51D Sb5D F56D 180.0 . . ?
F54D Sb5D F55D 90.0 . . ?
F52D Sb5D F55D 180.0 . . ?
F51D Sb5D F55D 90.0 . . ?
F56D Sb5D F55D 90.0 . . ?
F54D Sb5D F53D 180.0 . . ?
F52D Sb5D F53D 90.0 . . ?
F51D Sb5D F53D 90.0 . . ?
F56D Sb5D F53D 90.0 . . ?
F55D Sb5D F53D 90.0 . . ?
F51F Sb5F F53F 90.0 . . ?
F51F Sb5F F52F 90.0 . . ?
F53F Sb5F F52F 90.0 . . ?
F51F Sb5F F55F 90.0 . . ?
F53F Sb5F F55F 90.0 . . ?
F52F Sb5F F55F 179.98(13) . . ?
F51F Sb5F F54F 90.0 . . ?
F53F Sb5F F54F 179.98(9) . . ?
F52F Sb5F F54F 90.0 . . ?
F55F Sb5F F54F 90.0 . . ?
F51F Sb5F F56F 180.0 . . ?
F53F Sb5F F56F 90.0 . . ?
F52F Sb5F F56F 90.0 . . ?
F55F Sb5F F56F 90.0 . . ?
F54F Sb5F F56F 90.0 . . ?
Sb5L F52F Sb5F 149(8) . . ?
Sb5L F52F Sb5K 23.7(11) . . ?
Sb5F F52F Sb5K 159(7) . . ?
F56C Sb5C F55C 90.0 . . ?
F56C Sb5C F52C 90.0 . . ?
F55C Sb5C F52C 179.97(9) . . ?
F56C Sb5C F54C 90.0 . . ?
F55C Sb5C F54C 90.0 . . ?
F52C Sb5C F54C 90.0 . . ?
F56C Sb5C F51C 180.0 . . ?
F55C Sb5C F51C 90.0 . . ?
F52C Sb5C F51C 90.0 . . ?
F54C Sb5C F51C 90.0 . . ?
F56C Sb5C F53C 90.0 . . ?
F55C Sb5C F53C 90.0 . . ?
F52C Sb5C F53C 90.0 . . ?
F54C Sb5C F53C 180.0 . . ?
F51C Sb5C F53C 90.0 . . ?
F65 Sb6 F66 90.0(5) . . ?
F65 Sb6 F62 88.8(5) . . ?
F66 Sb6 F62 89.0(5) . . ?
F65 Sb6 F61 92.8(5) . . ?
F66 Sb6 F61 90.1(5) . . ?
F62 Sb6 F61 178.2(5) . . ?
F65 Sb6 F64 177.4(5) . . ?
F66 Sb6 F64 88.9(5) . . ?
F62 Sb6 F64 88.9(5) . . ?
F61 Sb6 F64 89.5(5) . . ?
F65 Sb6 F63 91.0(5) . . ?
F66 Sb6 F63 178.8(4) . . ?
F62 Sb6 F63 90.4(5) . . ?
F61 Sb6 F63 90.4(5) . . ?
F64 Sb6 F63 90.1(5) . . ?
F75B Sb7 F73B 135(2) . . ?
F75B Sb7 F71 75(4) . . ?
F73B Sb7 F71 95(3) . . ?
F75B Sb7 F71 105(4) . 2_666 ?
F73B Sb7 F71 85(3) . 2_666 ?
F71 Sb7 F71 180.0 . 2_666 ?
F75B Sb7 Sb7B 68.6(17) . . ?
F73B Sb7 Sb7B 67.1(16) . . ?
F71 Sb7 Sb7B 87.8(12) . . ?
F71 Sb7 Sb7B 92.2(12) 2_666 . ?
F75B Sb7 F73 17(3) . 2_666 ?
F73B Sb7 F73 145(2) . 2_666 ?
F71 Sb7 F73 89.0(16) . 2_666 ?
F71 Sb7 F73 91.0(16) 2_666 2_666 ?
Sb7B Sb7 F73 78.3(12) . 2_666 ?
F75B Sb7 F73 163(3) . . ?
F73B Sb7 F73 35(2) . . ?
F71 Sb7 F73 91.0(16) . . ?
F71 Sb7 F73 89.0(16) 2_666 . ?
Sb7B Sb7 F73 101.7(12) . . ?
F73 Sb7 F73 180.0 2_666 . ?
F75B Sb7 F72 86.6(19) . . ?
F73B Sb7 F72 138.3(19) . . ?
F71 Sb7 F72 93.0(14) . . ?
F71 Sb7 F72 87.0(14) 2_666 . ?
Sb7B Sb7 F72 154.2(11) . . ?
F73 Sb7 F72 76.0(15) 2_666 . ?
F73 Sb7 F72 104.0(15) . . ?
F75B Sb7 F72 93.4(19) . 2_666 ?
F73B Sb7 F72 41.7(19) . 2_666 ?
F71 Sb7 F72 87.0(14) . 2_666 ?
F71 Sb7 F72 93.0(14) 2_666 2_666 ?
Sb7B Sb7 F72 25.8(11) . 2_666 ?
F73 Sb7 F72 104.0(15) 2_666 2_666 ?
F73 Sb7 F72 76.0(15) . 2_666 ?
F72 Sb7 F72 180.0 . 2_666 ?
F75B Sb7 F76B 79(3) . . ?
F73B Sb7 F76B 77(2) . . ?
F71 Sb7 F76B 134.1(17) . . ?
F71 Sb7 F76B 45.9(17) 2_666 . ?
Sb7B Sb7 F76B 47.3(13) . . ?
F73 Sb7 F76B 75(2) 2_666 . ?
F73 Sb7 F76B 105(2) . . ?
F72 Sb7 F76B 122.5(19) . . ?
F72 Sb7 F76B 57.5(18) 2_666 . ?
F73B F73 Sb7 52(5) . . ?
Sb7 Sb7B F74B 133(3) . . ?
Sb7 Sb7B F76B 86(3) . . ?
F74B Sb7B F76B 90.0 . . ?
Sb7 Sb7B F75B 44(3) . . ?
F74B Sb7B F75B 90.0 . . ?
F76B Sb7B F75B 90.0 . . ?
Sb7 Sb7B F73B 47(3) . . ?
F74B Sb7B F73B 180.0 . . ?
F76B Sb7B F73B 90.0 . . ?
F75B Sb7B F73B 90.0 . . ?
Sb7 Sb7B F71B 94(2) . . ?
F74B Sb7B F71B 90.0 . . ?
F76B Sb7B F71B 179.96(10) . . ?
F75B Sb7B F71B 90.0 . . ?
F73B Sb7B F71B 90.0 . . ?
Sb7 Sb7B F72B 136(3) . . ?
F74B Sb7B F72B 90.0 . . ?
F76B Sb7B F72B 90.0 . . ?
F75B Sb7B F72B 180.0 . . ?
F73B Sb7B F72B 90.0 . . ?
F71B Sb7B F72B 90.0 . . ?
F73 F73B Sb7 93(6) . . ?
F73 F73B Sb7B 156(7) . . ?
Sb7 F73B Sb7B 66.2(16) . . ?
Sb7 F75B Sb7B 67.7(16) . . ?
Sb7B F76B Sb7 46.9(13) . . ?
F85A Sb8 F86A 162.9(10) . . ?
F83 Sb8 F84 176.4(10) . . ?
F85A Sb8 F83A 73.0(9) . . ?
F86A Sb8 F83A 90.2(8) . . ?
F85A Sb8 F81 92.8(8) . . ?
F83 Sb8 F81 93.7(8) . . ?
F86A Sb8 F81 90.5(8) . . ?
F84 Sb8 F81 89.9(8) . . ?
F83A Sb8 F81 91.9(8) . . ?
F85A Sb8 F84A 106.9(9) . . ?
F86A Sb8 F84A 89.8(8) . . ?
F83A Sb8 F84A 176.5(10) . . ?
F81 Sb8 F84A 91.6(8) . . ?
F85A Sb8 F82 87.7(8) . . ?
F83 Sb8 F82 85.9(8) . . ?
F86A Sb8 F82 88.9(8) . . ?
F84 Sb8 F82 90.5(8) . . ?
F83A Sb8 F82 87.8(8) . . ?
F81 Sb8 F82 179.3(4) . . ?
F84A Sb8 F82 88.6(8) . . ?
F83 Sb8 F85 103.3(9) . . ?
F84 Sb8 F85 76.2(10) . . ?
F81 Sb8 F85 93.6(8) . . ?
F82 Sb8 F85 87.0(8) . . ?
F83 Sb8 F86 91.2(8) . . ?
F84 Sb8 F86 89.0(8) . . ?
F81 Sb8 F86 90.9(7) . . ?
F82 Sb8 F86 88.6(7) . . ?
F85 Sb8 F86 164.5(9) . . ?
F95 Sb9 F93 111(4) 2_765 . ?
F95 Sb9 F91 86(4) 2_765 . ?
F93 Sb9 F91 90.0 . . ?
F95 Sb9 F92 159(4) 2_765 . ?
F93 Sb9 F92 90.0 . . ?
F91 Sb9 F92 90.0 . . ?
F95 Sb9 F95 21(4) 2_765 . ?
F93 Sb9 F95 90.0 . . ?
F91 Sb9 F95 90.0 . . ?
F92 Sb9 F95 179.9 . . ?
F95 Sb9 F94 69(4) 2_765 . ?
F93 Sb9 F94 179.95(8) . . ?
F91 Sb9 F94 90.0 . . ?
F92 Sb9 F94 90.0 . . ?
F95 Sb9 F94 90.0 . . ?
F95 Sb9 F96 94(4) 2_765 . ?
F93 Sb9 F96 90.0 . . ?
F91 Sb9 F96 180.0 . . ?
F92 Sb9 F96 90.0 . . ?
F95 Sb9 F96 90.0 . . ?
F94 Sb9 F96 90.0 . . ?
F95 Sb9 Sb9 14(2) 2_765 2_765 ?
F93 Sb9 Sb9 97(2) . 2_765 ?
F91 Sb9 Sb9 88.8(19) . 2_765 ?
F92 Sb9 Sb9 173(2) . 2_765 ?
F95 Sb9 Sb9 7(2) . 2_765 ?
F94 Sb9 Sb9 83(2) . 2_765 ?
F96 Sb9 Sb9 91.2(19) . 2_765 ?
F95 F94 Sb9 28.1(10) 2_765 . ?
Sb9 F95 F95 142(9) 2_765 2_765 ?
Sb9 F95 F94 83(3) 2_765 2_765 ?
F95 F95 F94 135(8) 2_765 2_765 ?
Sb9 F95 Sb9 159(6) 2_765 . ?
F95 F95 Sb9 17(3) 2_765 . ?
F94 F95 Sb9 118(5) 2_765 . ?
Sb9A Sb9A F96A 95(5) 2_765 . ?
F94A Sb9A F96A 94(5) 2_765 . ?
F95A Sb9A F96A 92(5) 2_765 . ?
Sb9A Sb9A F95A 73(6) 2_765 . ?
F94A Sb9A F95A 77(7) 2_765 . ?
F95A Sb9A F95A 153(5) 2_765 . ?
F96A Sb9A F95A 90.0 . . ?
Sb9A Sb9A F93A 162(6) 2_765 . ?
F94A Sb9A F93A 14(6) 2_765 . ?
F95A Sb9A F93A 117(5) 2_765 . ?
F96A Sb9A F93A 90.0 . . ?
F95A Sb9A F93A 90.0 . . ?
Sb9A Sb9A F94A 18(6) 2_765 . ?
F94A Sb9A F94A 166(6) 2_765 . ?
F95A Sb9A F94A 63(5) 2_765 . ?
F96A Sb9A F94A 90.0 . . ?
F95A Sb9A F94A 90.0 . . ?
F93A Sb9A F94A 179.97(14) . . ?
Sb9A Sb9A F92A 107(6) 2_765 . ?
F94A Sb9A F92A 103(7) 2_765 . ?
F95A Sb9A F92A 27(5) 2_765 . ?
F96A Sb9A F92A 90.0 . . ?
F95A Sb9A F92A 179.94(8) . . ?
F93A Sb9A F92A 90.0 . . ?
F94A Sb9A F92A 90.0 . . ?
Sb9A Sb9A F91A 85(5) 2_765 . ?
F94A Sb9A F91A 86(5) 2_765 . ?
F95A Sb9A F91A 88(5) 2_765 . ?
F96A Sb9A F91A 180.0(3) . . ?
F95A Sb9A F91A 90.0 . . ?
F93A Sb9A F91A 90.0 . . ?
F94A Sb9A F91A 90.0 . . ?
F92A Sb9A F91A 90.0 . . ?
F96A F91A Sb9A 95(8) 2_765 . ?
F95A F92A Sb9A 73(6) 2_765 . ?
F94A F93A Sb9A 18(8) 2_765 . ?
F93A F94A Sb9A 162(10) 2_765 . ?
Sb9A F94A Sb9A 14(5) 2_765 . ?
F92A F95A Sb9A 107(10) 2_765 . ?
Sb9A F95A Sb9A 26.9(19) 2_765 . ?
F91A F96A Sb9A 85(6) 2_765 . ?
F93B Sb9B F91B 93.7 . . ?
F93B Sb9B F91B 86(4) 2_765 . ?
F91B Sb9B F91B 180(6) 2_765 . ?
F93B Sb9B F92B 93.1 . . ?
F93B Sb9B F92B 87(4) 2_765 . ?
F91B Sb9B F92B 88(5) 2_765 . ?
F91B Sb9B F92B 92.1 . . ?
F92B Sb9B F92B 180(5) 2_765 . ?
F93B Sb9B F95B 91.3 . . ?
F93B Sb9B F95B 89(4) 2_765 . ?
F91B Sb9B F95B 90(5) 2_765 . ?
F91B Sb9B F95B 90.4 . . ?
F92B Sb9B F95B 5(5) 2_765 . ?
F92B Sb9B F95B 174.7 . . ?
F93B Sb9B F96B 90.8 . . ?
F93B Sb9B F96B 89(4) 2_765 . ?
F91B Sb9B F96B 5(5) 2_765 . ?
F91B Sb9B F96B 175.1 . . ?
F92B Sb9B F96B 91(5) 2_765 . ?
F92B Sb9B F96B 89.4 . . ?
F95B Sb9B F96B 87.8 . . ?
F95B Sb9B F96B 92(5) 2_765 . ?
F93B Sb9B F96B 89(4) . 2_765 ?
F93B Sb9B F96B 90.8 2_765 2_765 ?
F91B Sb9B F96B 175.1 2_765 2_765 ?
F91B Sb9B F96B 5(5) . 2_765 ?
F92B Sb9B F96B 89.4 2_765 2_765 ?
F92B Sb9B F96B 91(5) . 2_765 ?
F95B Sb9B F96B 92(5) . 2_765 ?
F95B Sb9B F96B 87.8 2_765 2_765 ?
F96B Sb9B F96B 180(6) . 2_765 ?
F93B Sb9B F94B 176.8 . . ?
F93B Sb9B F94B 3(5) 2_765 . ?
F91B Sb9B F94B 91(4) 2_765 . ?
F91B Sb9B F94B 88.9 . . ?
F92B Sb9B F94B 92(4) 2_765 . ?
F92B Sb9B F94B 88.5 . . ?
F95B Sb9B F94B 86.9 . . ?
F95B Sb9B F94B 93(4) 2_765 . ?
F96B Sb9B F94B 86.5 . . ?
F96B Sb9B F94B 94(4) 2_765 . ?
F94B Sb9B F94B 180(6) 2_765 . ?
F96B F91B Sb9B 116(10) 2_765 . ?
F95B F92B Sb9B 105(10) 2_765 . ?
F94B F93B Sb9B 144(10) 2_765 . ?
F93B F94B Sb9B 33(10) 2_765 . ?
F92B F95B Sb9B 70(10) 2_765 . ?
F91B F96B Sb9B 59(10) 2_765 . ?
F114 Sb11 F112 90.1 . . ?
F114 Sb11 F115 90.0 . . ?
F112 Sb11 F115 179.92(13) . . ?
F114 Sb11 F116 90.0 . . ?
F112 Sb11 F116 90.0 . . ?
F115 Sb11 F116 90.0 . . ?
F114 Sb11 F111 90.0 . . ?
F112 Sb11 F111 90.0 . . ?
F115 Sb11 F111 90.0 . . ?
F116 Sb11 F111 179.94(7) . . ?
F114 Sb11 F113 179.96(8) . . ?
F112 Sb11 F113 90.0 . . ?
F115 Sb11 F113 90.0 . . ?
F116 Sb11 F113 90.0 . . ?
F111 Sb11 F113 90.0 . . ?
F125 Sb12 F126 90.0 . . ?
F125 Sb12 F122 179.98(5) . . ?
F126 Sb12 F122 90.0 . . ?
F125 Sb12 F123 90.0 . . ?
F126 Sb12 F123 90.0 . . ?
F122 Sb12 F123 90.0 . . ?
F125 Sb12 F121 90.0 . . ?
F126 Sb12 F121 180.0 . . ?
F122 Sb12 F121 90.0 . . ?
F123 Sb12 F121 90.0 . . ?
F125 Sb12 F124 90.0 . . ?
F126 Sb12 F124 90.0 . . ?
F122 Sb12 F124 90.0 . . ?
F123 Sb12 F124 179.97(6) . . ?
F121 Sb12 F124 90.0 . . ?
F51M F125 Sb12 139(8) . . ?
F101 Sb10 F105 90.0 . . ?
F101 Sb10 F104 90.0 . . ?
F105 Sb10 F104 90.0 . . ?
F101 Sb10 F103 90.0 . . ?
F105 Sb10 F103 90.0 . . ?
F104 Sb10 F103 180.0 . . ?
F101 Sb10 F106 180.0 . . ?
F105 Sb10 F106 90.0 . . ?
F104 Sb10 F106 90.0 . . ?
F103 Sb10 F106 90.0 . . ?
F101 Sb10 F102 90.0 . . ?
F105 Sb10 F102 180.0 . . ?
F104 Sb10 F102 90.0 . . ?
F103 Sb10 F102 90.0 . . ?
F106 Sb10 F102 90.0 . . ?
F132 Sb13 F133 116(6) . . ?
F131 F133 Sb13 153(8) . . ?
F143 Sb14 F144 180.0 . . ?
F143 Sb14 F145 90.0 . . ?
F144 Sb14 F145 90.0 . . ?
F143 Sb14 F142 90.0 . . ?
F144 Sb14 F142 90.0 . . ?
F145 Sb14 F142 180.0 . . ?
F143 Sb14 F141 90.0 . . ?
F144 Sb14 F141 90.0 . . ?
F145 Sb14 F141 90.0 . . ?
F142 Sb14 F141 90.0 . . ?
F143 Sb14 F146 90.0 . . ?
F144 Sb14 F146 90.0 . . ?
F145 Sb14 F146 90.0 . . ?
F142 Sb14 F146 90.0 . . ?
F141 Sb14 F146 180.0 . . ?
F155 Sb15 F152 180.0 . . ?
F155 Sb15 F151 90.0 . . ?
F152 Sb15 F151 90.0 . . ?
F155 Sb15 F153 90.0 . . ?
F152 Sb15 F153 90.0 . . ?
F151 Sb15 F153 90.0 . . ?
F155 Sb15 F156 90.0 . . ?
F152 Sb15 F156 90.0 . . ?
F151 Sb15 F156 180.0 . . ?
F153 Sb15 F156 90.0 . . ?
F155 Sb15 F154 90.0 . . ?
F152 Sb15 F154 90.0 . . ?
F151 Sb15 F154 90.0 . . ?
F153 Sb15 F154 180.0 . . ?
F156 Sb15 F154 90.0 . . ?
Cl15 C1S Cl16 121(3) . . ?
Cl13 C1S Cl14 109.2(14) . . ?
Cl11 C1S Cl12 109.2(13) . . ?
Cl15 C1S H1SE 107.1 . . ?
Cl16 C1S H1SE 107.1 . . ?
Cl15 C1S H1SF 107.1 . . ?
Cl16 C1S H1SF 107.1 . . ?
H1SE C1S H1SF 106.8 . . ?
Cl13 C1S H1SC 109.8 . . ?
Cl14 C1S H1SC 109.8 . . ?
Cl13 C1S H1SD 109.8 . . ?
Cl14 C1S H1SD 109.8 . . ?
H1SC C1S H1SD 108.3 . . ?
Cl11 C1S H1SA 109.8 . . ?
Cl12 C1S H1SA 109.8 . . ?
Cl11 C1S H1SB 109.8 . . ?
Cl12 C1S H1SB 109.8 . . ?
H1SA C1S H1SB 108.3 . . ?
Cl22 C2S Cl21 114.0(16) . . ?
Cl22 C2S H2SA 108.8 . . ?
Cl21 C2S H2SA 108.8 . . ?
Cl22 C2S H2SB 108.8 . . ?
Cl21 C2S H2SB 108.8 . . ?
H2SA C2S H2SB 107.7 . . ?
Cl34 C32S Cl33 123(3) . . ?
Cl34 C32S H32D 106.7 . . ?
Cl33 C32S H32D 106.7 . . ?
Cl34 C32S H32E 106.7 . . ?
Cl33 C32S H32E 106.7 . . ?
H32D C32S H32E 106.6 . . ?
Cl32 C31S Cl31 100(3) . . ?
Cl32 C31S H31L 111.7 . . ?
Cl31 C31S H31L 111.7 . . ?
Cl32 C31S H31M 111.7 . . ?
Cl31 C31S H31M 111.7 . . ?
H31L C31S H31M 109.5 . . ?
Cl44 C4S Cl43 116.1(18) . . ?
Cl45 C4S Cl46 107(2) . . ?
Cl42 C4S Cl41 105.9(16) . . ?
Cl42 C4S H4SA 110.5 . . ?
Cl41 C4S H4SA 110.5 . . ?
Cl42 C4S H4SB 110.5 . . ?
Cl41 C4S H4SB 110.5 . . ?
H4SA C4S H4SB 108.7 . . ?
Cl52 C51S Cl51 113(6) . . ?
Cl52 C51S H51A 108.9 . . ?
Cl51 C51S H51A 108.9 . . ?
Cl52 C51S H51K 108.9 . . ?
Cl51 C51S H51K 108.9 . . ?
H51A C51S H51K 107.7 . . ?
Cl54 C52S Cl53 134(6) . . ?
Cl54 C52S H52D 103.7 . . ?
Cl53 C52S H52D 103.7 . . ?
Cl54 C52S H52E 103.7 . . ?
Cl53 C52S H52E 103.7 . . ?
H52D C52S H52E 105.4 . . ?
Cl56 C53S Cl55 107(3) . . ?
Cl56 C53S H53L 110.3 . . ?
Cl55 C53S H53L 110.3 . . ?
Cl56 C53S H53M 110.3 . . ?
Cl55 C53S H53M 110.3 . . ?
H53L C53S H53M 108.6 . . ?
Cl57 C54S Cl58 122(5) . . ?
Cl57 C54S H54C 106.8 . . ?
Cl58 C54S H54C 106.8 . . ?
Cl57 C54S H54D 106.8 . . ?
Cl58 C54S H54D 106.8 . . ?
H54C C54S H54D 106.6 . . ?
Cl83 C81S Cl82 75(5) . . ?
Cl83 C81S Cl81 91(6) . . ?
Cl82 C81S Cl81 165(8) . . ?
Cl83 C81S H81O 131.4 . . ?
Cl82 C81S H81O 81.2 . . ?
Cl81 C81S H81O 104.6 . . ?
Cl83 C81S H81N 110.2 . . ?
Cl82 C81S H81N 86.1 . . ?
Cl81 C81S H81N 104.2 . . ?
H81O C81S H81N 109.8 . . ?
C81S Cl82 Cl83 52(3) . . ?
C81S Cl83 Cl82 52(3) . . ?
Cl86 C82S Cl80 152(7) . . ?
Cl86 C82S Cl84 117(3) . . ?
Cl80 C82S Cl84 54(5) . . ?
Cl86 C82S Cl85 19.4(16) . . ?
Cl80 C82S Cl85 159(6) . . ?
Cl84 C82S Cl85 108(2) . . ?
Cl86 C82S H82B 112.5 . . ?
Cl80 C82S H82B 94.0 . . ?
Cl84 C82S H82B 85.6 . . ?
Cl85 C82S H82B 95.0 . . ?
Cl86 C82S H82C 87.1 . . ?
Cl80 C82S H82C 99.3 . . ?
Cl84 C82S H82C 152.9 . . ?
Cl85 C82S H82C 98.1 . . ?
H82B C82S H82C 97.9 . . ?
Cl80 Cl84 C82S 63(3) . . ?
Cl84 Cl80 C82S 63(3) . . ?
Cl86 Cl85 C82S 78(3) . . ?
Cl85 Cl86 C82S 83(3) . . ?
Cl88 C83S Cl89 86(5) . . ?
Cl88 C83S Cl87 116(7) . . ?
Cl89 C83S Cl87 152(8) . . ?
Cl88 C83S H83L 13.7 . . ?
Cl89 C83S H83L 95.8 . . ?
Cl87 C83S H83L 103.8 . . ?
Cl88 C83S H83J 98.3 . . ?
Cl89 C83S H83J 84.5 . . ?
Cl87 C83S H83J 106.7 . . ?
H83L C83S H83J 109.1 . . ?
Cl88 C83S H83K 118.2 . . ?
Cl89 C83S H83K 39.8 . . ?
Cl87 C83S H83K 112.6 . . ?
H83L C83S H83K 121.6 . . ?
H83J C83S H83K 102.3 . . ?
C83S Cl88 Cl89 47(3) . . ?
C83S Cl88 H83L 15.1 . . ?
Cl89 Cl88 H83L 58.0 . . ?
C83S Cl89 Cl88 47(3) . . ?
C83S Cl89 H83K 31.0 . . ?
Cl88 Cl89 H83K 73.6 . . ?
Cl91 C91S Cl92 133(7) . . ?
Cl91 C91S H91A 104.0 . . ?
Cl92 C91S H91A 104.0 . . ?
Cl91 C91S H91B 104.0 . . ?
Cl92 C91S H91B 104.0 . . ?
H91A C91S H91B 105.5 . . ?
Cl94 C92S Cl93 124(6) . . ?
Cl94 C92S H92A 106.4 . . ?
Cl93 C92S H92A 106.4 . . ?
Cl94 C92S H92B 106.4 . . ?
Cl93 C92S H92B 106.4 . . ?
H92A C92S H92B 106.5 . . ?
Sb5L Sb5G Sb5K 43.0(19) . . ?
Sb5L Sb5G F54G 156(4) . . ?
Sb5K Sb5G F54G 160(3) . . ?
Sb5L Sb5G F52G 68(4) . . ?
Sb5K Sb5G F52G 110(3) . . ?
F54G Sb5G F52G 90.0 . . ?
Sb5L Sb5G F51G 81(4) . . ?
Sb5K Sb5G F51G 89(4) . . ?
F54G Sb5G F51G 90.0 . . ?
F52G Sb5G F51G 90.0 . . ?
Sb5L Sb5G F55G 112(4) . . ?
Sb5K Sb5G F55G 70(3) . . ?
F54G Sb5G F55G 90.0 . . ?
F52G Sb5G F55G 180.0 . . ?
F51G Sb5G F55G 90.0 . . ?
Sb5L Sb5G F56G 99(4) . . ?
Sb5K Sb5G F56G 91(4) . . ?
F54G Sb5G F56G 90.0 . . ?
F52G Sb5G F56G 90.0 . . ?
F51G Sb5G F56G 180.0 . . ?
F55G Sb5G F56G 90.0 . . ?
Sb5L Sb5G F53G 24(4) . . ?
Sb5K Sb5G F53G 20(3) . . ?
F54G Sb5G F53G 179.97(5) . . ?
F52G Sb5G F53G 90.0 . . ?
F51G Sb5G F53G 90.0 . . ?
F55G Sb5G F53G 90.0 . . ?
F56G Sb5G F53G 90.0 . . ?
Sb5G F51G Sb5L 30.2(14) . . ?
Sb5G F51G Sb5K 34.8(15) . . ?
Sb5L F51G Sb5K 22.9(10) . . ?
Sb5L F52G Sb5G 32.2(15) . . ?
Sb5K F53G Sb5L 55(3) . . ?
Sb5K F53G Sb5G 33(5) . . ?
Sb5L F53G Sb5G 24(3) . . ?
Sb5G F55G Sb5K 39.9(18) . . ?
Sb5G F55G Sb5L 22.5(15) . . ?
Sb5K F55G Sb5L 17.9(10) . . ?
Sb5G F56G Sb5L 26.2(15) . . ?
Sb5G F56G Sb5K 33.9(17) . . ?
Sb5L F56G Sb5K 22.2(6) . . ?
Sb5L Sb5H Sb5K 40(3) . . ?
Sb5L Sb5H F53H 110(5) . . ?
Sb5K Sb5H F53H 75(4) . . ?
Sb5L Sb5H F52H 21(5) . . ?
Sb5K Sb5H F52H 19(4) . . ?
F53H Sb5H F52H 90.1 . . ?
Sb5L Sb5H F56H 83(5) . . ?
Sb5K Sb5H F56H 102(4) . . ?
F53H Sb5H F56H 90.0 . . ?
F52H Sb5H F56H 90.0 . . ?
Sb5L Sb5H F51H 97(5) . . ?
Sb5K Sb5H F51H 78(4) . . ?
F53H Sb5H F51H 90.0 . . ?
F52H Sb5H F51H 90.0 . . ?
F56H Sb5H F51H 179.94(11) . . ?
Sb5L Sb5H F55H 159(5) . . ?
Sb5K Sb5H F55H 161(4) . . ?
F53H Sb5H F55H 90.0 . . ?
F52H Sb5H F55H 179.93(11) . . ?
F56H Sb5H F55H 90.0 . . ?
F51H Sb5H F55H 90.0 . . ?
Sb5L Sb5H F54H 70(5) . . ?
Sb5K Sb5H F54H 105(4) . . ?
F53H Sb5H F54H 179.96(15) . . ?
F52H Sb5H F54H 90.0 . . ?
F56H Sb5H F54H 90.0 . . ?
F51H Sb5H F54H 90.0 . . ?
F55H Sb5H F54H 90.0 . . ?
Sb5H F51H Sb5K 38.6(17) . . ?
Sb5H F51H Sb5L 21.0(14) . . ?
Sb5K F51H Sb5L 24.3(8) . . ?
Sb5K F52H Sb5L 47(3) . . ?
Sb5K F52H Sb5H 34(5) . . ?
Sb5L F52H Sb5H 13(3) . . ?
Sb5H F53H Sb5K 39.5(19) . . ?
Sb5H F53H Sb5L 18.5(15) . . ?
Sb5K F53H Sb5L 22.8(6) . . ?
Sb5L F54H Sb5H 23.9(14) . . ?
Sb5L F54H Sb5K 10.7(18) . . ?
Sb5H F54H Sb5K 29.7(16) . . ?
Sb5H F56H Sb5L 23.0(13) . . ?
Sb5H F56H Sb5K 30.9(17) . . ?
Sb5L F56H Sb5K 17.5(12) . . ?
Sb5L Sb5M Sb5K 40.3 . . ?
Sb5L Sb5M F53M 119.9 . . ?
Sb5K Sb5M F53M 79.9 . . ?
Sb5L Sb5M F56M 122.1 . . ?
Sb5K Sb5M F56M 132.0 . . ?
F53M Sb5M F56M 90.0 . . ?
Sb5L Sb5M F54M 60.1 . . ?
Sb5K Sb5M F54M 100.1 . . ?
F53M Sb5M F54M 179.9(2) . . ?
F56M Sb5M F54M 90.0 . . ?
Sb5L Sb5M F52M 133.2 . . ?
Sb5K Sb5M F52M 136.2 . . ?
F53M Sb5M F52M 90.0 . . ?
F56M Sb5M F52M 90.0 . . ?
F54M Sb5M F52M 90.0 . . ?
Sb5L Sb5M F55M 46.8 . . ?
Sb5K Sb5M F55M 43.8 . . ?
F53M Sb5M F55M 90.0 . . ?
F56M Sb5M F55M 90.0 . . ?
F54M Sb5M F55M 90.0 . . ?
F52M Sb5M F55M 179.98(9) . . ?
Sb5L Sb5M F51M 57.9 . . ?
Sb5K Sb5M F51M 48.0 . . ?
F53M Sb5M F51M 90.0 . . ?
F56M Sb5M F51M 180(4) . . ?
F54M Sb5M F51M 90.0 . . ?
F52M Sb5M F51M 90.0 . . ?
F55M Sb5M F51M 90.0 . . ?
Sb5K F51M Sb5L 33.4 . . ?
Sb5K F51M F125 141(6) . . ?
Sb5L F51M F125 133(7) . . ?
Sb5K F51M Sb5M 46.1 . . ?
Sb5L F51M Sb5M 31.9 . . ?
F125 F51M Sb5M 155(7) . . ?
Sb5M F53M Sb5K 39.2 . . ?
Sb5M F53M Sb5L 20.0 . . ?
Sb5K F53M Sb5L 19.4 . . ?
Sb5L F54M Sb5M 31.9 . . ?
Sb5L F54M Sb5K 2.7 . . ?
Sb5M F54M Sb5K 32.2 . . ?
Sb5K F55M Sb5L 37.8 . . ?
Sb5K F55M Sb5M 46.2 . . ?
Sb5L F55M Sb5M 31.2 . . ?
Sb5M F56M Sb5L 19.3 . . ?
F52H Sb5K Sb5L 93(9) . . ?
F53G Sb5K Sb5L 76(7) . . ?
F53G Sb5K Sb5G 127(8) . . ?
Sb5L Sb5K Sb5G 52(3) . . ?
Sb5L Sb5K F55M 77.3 . . ?
F52H Sb5K Sb5H 126(9) . . ?
Sb5L Sb5K Sb5H 34(3) . . ?
Sb5L Sb5K Sb5M 47.1 . . ?
F55M Sb5K Sb5M 90.0 . . ?
Sb5L Sb5K F51M 85.4 . . ?
F55M Sb5K F51M 159.6 . . ?
Sb5M Sb5K F51M 86.0 . . ?
F53G Sb5K F55G 163(7) . . ?
Sb5L Sb5K F55G 121(4) . . ?
Sb5G Sb5K F55G 70(3) . . ?
F52H Sb5K F53H 144(10) . . ?
Sb5L Sb5K F53H 95(3) . . ?
Sb5H Sb5K F53H 65(3) . . ?
F52H Sb5K F51H 134(10) . . ?
Sb5L Sb5K F51H 81(4) . . ?
Sb5H Sb5K F51H 63(3) . . ?
F53H Sb5K F51H 82(3) . . ?
Sb5L Sb5K F53M 107.8 . . ?
F55M Sb5K F53M 99.4 . . ?
Sb5M Sb5K F53M 61.0 . . ?
F51M Sb5K F53M 96.1 . . ?
Sb5H Sb5L Sb5K 106(5) . . ?
Sb5K Sb5L Sb5M 92.6 . . ?
Sb5K Sb5L Sb5G 85(4) . . ?
Sb5K Sb5L F53G 49(5) . . ?
Sb5G Sb5L F53G 132(7) . . ?
Sb5H Sb5L F52H 146(8) . . ?
Sb5K Sb5L F52H 40(6) . . ?
Sb5K Sb5L F55M 65.0 . . ?
Sb5M Sb5L F55M 102.1 . . ?
Sb5K Sb5L F51M 61.2 . . ?
Sb5M Sb5L F51M 90.1 . . ?
F55M Sb5L F51M 125.1 . . ?
Sb5K Sb5L F54M 172.24(7) . . ?
Sb5M Sb5L F54M 88.0 . . ?
F55M Sb5L F54M 122.5 . . ?
F51M Sb5L F54M 111.1 . . ?
Sb5K Sb5L F52F 104(5) . . ?
Sb5K Sb5L F52G 161(4) . . ?
Sb5G Sb5L F52G 80(4) . . ?
F53G Sb5L F52G 142(5) . . ?
Sb5H Sb5L F54H 86(5) . . ?
Sb5K Sb5L F54H 147(5) . . ?
F52H Sb5L F54H 126(4) . . ?

_refine_diff_density_max         2.680
_refine_diff_density_min         -4.676
_refine_diff_density_rms         0.258


_chemical_properties_physical    
'Air-sensitive,Moisture-sensitive,Light-sensitive,X-ray sensitive'
