#------------------------------------------------------------------------------
#$Date: 2018-09-04 12:04:49 +0300 (Tue, 04 Sep 2018) $
#$Revision: 210389 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/10/19/7101908.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7101908
loop_
_publ_author_name
'Daniliuc, Constantin'
'Druckenbrodt, Christian'
'Hrib, Cristian G.'
'Ruthe, Frank'
'Blaschette, Armand'
'Jones, Peter G.'
'du Mont, Wolf-W.'
_publ_section_title
;
 The first trialkylphosphane telluride complexes of Ag(I): molecular,
 ionic and supramolecular structural alternatives
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   20
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              2060
_journal_page_last               2062
_journal_paper_doi               10.1039/b700917h
_journal_year                    2007
_chemical_formula_sum            'C18 H42 Ag F6 P2 Sb Te2'
_chemical_formula_weight         919.28
_chemical_name_common
'Bis-(triisopropylphosphine telluride)-silver(I) hexafluoroantimonate'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 118.8840(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   28.5566(15)
_cell_length_b                   8.4221(5)
_cell_length_c                   28.2425(15)
_cell_measurement_reflns_used    9528
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      30
_cell_measurement_theta_min      2
_cell_volume                     5947.5(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'SIEMENS XP'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      133(2)
_diffrn_detector_area_resol_mean 8.192
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0850
_diffrn_reflns_av_sigmaI/netI    0.0592
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            107897
_diffrn_reflns_theta_full        28.58
_diffrn_reflns_theta_max         28.58
_diffrn_reflns_theta_min         0.81
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    3.640
_exptl_absorpt_correction_T_max  0.6902
_exptl_absorpt_correction_T_min  0.6108
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.053
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3488
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.826
_refine_diff_density_min         -1.121
_refine_diff_density_rms         0.200
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    'methyls rigid and other riding'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     565
_refine_ls_number_reflns         15108
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0910
_refine_ls_R_factor_gt           0.0448
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0252P)²+41.2376P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0812
_refine_ls_wR_factor_ref         0.0956
_reflns_number_gt                9708
_reflns_number_total             15108
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b700917h.txt
_cod_data_source_block           gaina
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7101908
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Te1 Te -0.061510(16) 0.01208(5) 0.011790(17) 0.02318(9) Uani 1 1 d .
Te2 Te 0.040433(15) 0.49969(5) 0.075038(15) 0.02124(9) Uani 1 1 d .
Te3 Te 0.456658(15) 0.99957(5) 0.029886(17) 0.02160(9) Uani 1 1 d .
Te4 Te 0.566149(16) 1.51336(5) 0.069340(15) 0.02172(9) Uani 1 1 d .
Sb1 Sb 0.335931(18) 0.56221(6) 0.154950(19) 0.02821(11) Uani 1 1 d .
Sb2 Sb -0.17798(2) 0.55378(6) 0.180001(18) 0.03018(11) Uani 1 1 d .
Ag1 Ag 0.00638(2) 0.24818(6) -0.00234(2) 0.03463(13) Uani 1 1 d .
Ag2 Ag 0.50538(2) 1.25818(6) 0.00918(2) 0.03293(13) Uani 1 1 d .
P1 P -0.07810(6) -0.0068(2) 0.08844(6) 0.0211(3) Uani 1 1 d .
P2 P 0.13212(6) 0.55664(19) 0.14130(6) 0.0167(3) Uani 1 1 d .
P3 P 0.36764(6) 1.05969(19) 0.01504(6) 0.0152(3) Uani 1 1 d .
P4 P 0.58306(6) 1.4991(2) 0.16207(6) 0.0172(3) Uani 1 1 d .
C11 C -0.1124(3) -0.1939(8) 0.0852(3) 0.0285(16) Uani 1 1 d .
H11 H -0.1227 -0.1909 0.1143 0.034 Uiso 1 1 calc R
C12 C -0.0765(4) -0.3380(9) 0.0956(4) 0.060(3) Uani 1 1 d .
H12A H -0.0954 -0.4338 0.0968 0.072 Uiso 1 1 calc R
H12B H -0.0437 -0.3251 0.1302 0.072 Uiso 1 1 calc R
H12C H -0.0673 -0.3479 0.0664 0.072 Uiso 1 1 calc R
C13 C -0.1633(3) -0.2121(9) 0.0316(3) 0.041(2) Uani 1 1 d .
H13A H -0.1544 -0.2166 0.0022 0.049 Uiso 1 1 calc R
H13B H -0.1868 -0.1211 0.0260 0.049 Uiso 1 1 calc R
H13C H -0.1816 -0.3102 0.0320 0.049 Uiso 1 1 calc R
C14 C -0.0159(3) -0.0019(11) 0.1530(3) 0.0389(18) Uani 1 1 d .
H14 H 0.0063 -0.0929 0.1524 0.047 Uiso 1 1 calc R
C15 C -0.0245(3) -0.0285(15) 0.2019(3) 0.071(3) Uani 1 1 d .
H15A H 0.0102 -0.0401 0.2346 0.085 Uiso 1 1 calc R
H15B H -0.0458 -0.1250 0.1964 0.085 Uiso 1 1 calc R
H15C H -0.0436 0.0627 0.2060 0.085 Uiso 1 1 calc R
C16 C 0.0165(3) 0.1484(11) 0.1591(3) 0.045(2) Uani 1 1 d .
H16A H -0.0030 0.2408 0.1617 0.054 Uiso 1 1 calc R
H16B H 0.0219 0.1602 0.1275 0.054 Uiso 1 1 calc R
H16C H 0.0513 0.1407 0.1919 0.054 Uiso 1 1 calc R
C17 C -0.1206(3) 0.1583(8) 0.0896(3) 0.0267(15) Uani 1 1 d .
H17 H -0.0954 0.2406 0.1142 0.032 Uiso 1 1 calc R
C18 C -0.1535(4) 0.2394(10) 0.0361(3) 0.047(2) Uani 1 1 d .
H18A H -0.1782 0.1627 0.0098 0.057 Uiso 1 1 calc R
H18B H -0.1298 0.2821 0.0231 0.057 Uiso 1 1 calc R
H18C H -0.1739 0.3263 0.0405 0.057 Uiso 1 1 calc R
C19 C -0.1557(3) 0.1092(9) 0.1148(3) 0.0376(18) Uani 1 1 d .
H19A H -0.1752 0.2020 0.1170 0.045 Uiso 1 1 calc R
H19B H -0.1329 0.0668 0.1511 0.045 Uiso 1 1 calc R
H19C H -0.1812 0.0276 0.0922 0.045 Uiso 1 1 calc R
C41 C 0.6251(3) 1.6656(8) 0.2039(3) 0.0258(15) Uani 1 1 d .
H41 H 0.6000 1.7467 0.2047 0.031 Uiso 1 1 calc R
C42 C 0.6622(3) 1.6165(10) 0.2631(3) 0.043(2) Uani 1 1 d .
H42A H 0.6893 1.5424 0.2648 0.051 Uiso 1 1 calc R
H42B H 0.6409 1.5650 0.2776 0.051 Uiso 1 1 calc R
H42C H 0.6797 1.7110 0.2847 0.051 Uiso 1 1 calc R
C43 C 0.6566(3) 1.7483(10) 0.1805(3) 0.043(2) Uani 1 1 d .
H43A H 0.6747 1.8414 0.2025 0.052 Uiso 1 1 calc R
H43B H 0.6321 1.7819 0.1433 0.052 Uiso 1 1 calc R
H43C H 0.6832 1.6749 0.1804 0.052 Uiso 1 1 calc R
C44 C 0.6167(3) 1.3116(8) 0.1916(2) 0.0239(14) Uani 1 1 d .
H44 H 0.6281 1.3163 0.2310 0.029 Uiso 1 1 calc R
C45 C 0.5797(3) 1.1687(9) 0.1686(3) 0.047(2) Uani 1 1 d .
H45A H 0.5677 1.1595 0.1299 0.057 Uiso 1 1 calc R
H45B H 0.5486 1.1828 0.1742 0.057 Uiso 1 1 calc R
H45C H 0.5989 1.0721 0.1871 0.057 Uiso 1 1 calc R
C46 C 0.6672(3) 1.2905(9) 0.1870(3) 0.0361(18) Uani 1 1 d .
H46A H 0.6857 1.1935 0.2060 0.043 Uiso 1 1 calc R
H46B H 0.6908 1.3821 0.2033 0.043 Uiso 1 1 calc R
H46C H 0.6577 1.2824 0.1488 0.043 Uiso 1 1 calc R
C47 C 0.5202(2) 1.5074(9) 0.1650(2) 0.0276(14) Uani 1 1 d .
H47 H 0.4979 1.4150 0.1439 0.033 Uiso 1 1 calc R
C48 C 0.5296(3) 1.4912(12) 0.2236(3) 0.051(2) Uani 1 1 d .
H48A H 0.5510 1.5812 0.2452 0.061 Uiso 1 1 calc R
H48B H 0.5488 1.3920 0.2394 0.061 Uiso 1 1 calc R
H48C H 0.4951 1.4902 0.2232 0.061 Uiso 1 1 calc R
C49 C 0.4889(3) 1.6564(9) 0.1389(3) 0.0322(17) Uani 1 1 d .
H49A H 0.4542 1.6520 0.1380 0.039 Uiso 1 1 calc R
H49B H 0.4834 1.6646 0.1019 0.039 Uiso 1 1 calc R
H49C H 0.5090 1.7492 0.1598 0.039 Uiso 1 1 calc R
C31 C 0.3641(2) 0.9932(8) 0.0753(2) 0.0226(13) Uani 1 1 d .
H31 H 0.3735 0.8778 0.0794 0.027 Uiso 1 1 calc R
C32 C 0.4045(3) 1.0713(11) 0.1272(3) 0.047(2) Uani 1 1 d .
H32A H 0.3926 1.1792 0.1290 0.057 Uiso 1 1 calc R
H32B H 0.4393 1.0758 0.1282 0.057 Uiso 1 1 calc R
H32C H 0.4078 1.0096 0.1581 0.057 Uiso 1 1 calc R
C33 C 0.3079(3) 1.0035(10) 0.0698(3) 0.0371(17) Uani 1 1 d .
H33A H 0.3088 0.9601 0.1024 0.045 Uiso 1 1 calc R
H33B H 0.2827 0.9422 0.0382 0.045 Uiso 1 1 calc R
H33C H 0.2965 1.1147 0.0653 0.045 Uiso 1 1 calc R
C34 C 0.3544(2) 1.2716(7) -0.0002(2) 0.0187(13) Uani 1 1 d .
H34 H 0.3564 1.2896 -0.0341 0.022 Uiso 1 1 calc R
C35 C 0.3963(2) 1.3799(8) 0.0420(3) 0.0271(15) Uani 1 1 d .
H35A H 0.3888 1.4901 0.0294 0.033 Uiso 1 1 calc R
H35B H 0.4318 1.3495 0.0477 0.033 Uiso 1 1 calc R
H35C H 0.3953 1.3700 0.0761 0.033 Uiso 1 1 calc R
C36 C 0.2979(2) 1.3224(8) -0.0131(3) 0.0269(15) Uani 1 1 d .
H36A H 0.2948 1.3185 0.0199 0.032 Uiso 1 1 calc R
H36B H 0.2717 1.2502 -0.0401 0.032 Uiso 1 1 calc R
H36C H 0.2911 1.4309 -0.0274 0.032 Uiso 1 1 calc R
C37 C 0.3159(2) 0.9510(8) -0.0426(2) 0.0230(14) Uani 1 1 d .
H37 H 0.2807 0.9794 -0.0451 0.028 Uiso 1 1 calc R
C38 C 0.3226(3) 0.7714(8) -0.0345(3) 0.0315(16) Uani 1 1 d .
H38A H 0.2939 0.7175 -0.0659 0.038 Uiso 1 1 calc R
H38B H 0.3207 0.7417 -0.0019 0.038 Uiso 1 1 calc R
H38C H 0.3573 0.7397 -0.0305 0.038 Uiso 1 1 calc R
C39 C 0.3134(3) 1.0000(9) -0.0956(2) 0.0322(15) Uani 1 1 d .
H39A H 0.3481 0.9803 -0.0936 0.039 Uiso 1 1 calc R
H39B H 0.3047 1.1132 -0.1020 0.039 Uiso 1 1 calc R
H39C H 0.2858 0.9379 -0.1253 0.039 Uiso 1 1 calc R
C21 C 0.1786(2) 0.4539(7) 0.1242(2) 0.0222(14) Uani 1 1 d .
H21 H 0.2155 0.4888 0.1510 0.027 Uiso 1 1 calc R
C22 C 0.1766(3) 0.2749(8) 0.1289(3) 0.0364(18) Uani 1 1 d .
H22A H 0.1405 0.2367 0.1040 0.044 Uiso 1 1 calc R
H22B H 0.1857 0.2467 0.1661 0.044 Uiso 1 1 calc R
H22C H 0.2023 0.2256 0.1198 0.044 Uiso 1 1 calc R
C23 C 0.1690(3) 0.5052(10) 0.0684(2) 0.0323(16) Uani 1 1 d .
H23A H 0.1958 0.4554 0.0609 0.039 Uiso 1 1 calc R
H23B H 0.1720 0.6209 0.0675 0.039 Uiso 1 1 calc R
H23C H 0.1332 0.4720 0.0409 0.039 Uiso 1 1 calc R
C24 C 0.1443(3) 0.7714(8) 0.1400(3) 0.0266(15) Uani 1 1 d .
H24 H 0.1393 0.7940 0.1031 0.032 Uiso 1 1 calc R
C25 C 0.1043(3) 0.8763(9) 0.1462(3) 0.0341(17) Uani 1 1 d .
H25A H 0.1088 0.8637 0.1827 0.041 Uiso 1 1 calc R
H25B H 0.0679 0.8453 0.1195 0.041 Uiso 1 1 calc R
H25C H 0.1103 0.9875 0.1405 0.041 Uiso 1 1 calc R
C26 C 0.2020(3) 0.8200(8) 0.1797(3) 0.0314(16) Uani 1 1 d .
H26A H 0.2090 0.9262 0.1704 0.038 Uiso 1 1 calc R
H26B H 0.2268 0.7438 0.1775 0.038 Uiso 1 1 calc R
H26C H 0.2070 0.8209 0.2166 0.038 Uiso 1 1 calc R
C27 C 0.1436(2) 0.4821(8) 0.2069(2) 0.0248(14) Uani 1 1 d .
H27 H 0.1358 0.3658 0.2015 0.030 Uiso 1 1 calc R
C28 C 0.1059(3) 0.5473(11) 0.2256(3) 0.044(2) Uani 1 1 d .
H28A H 0.1059 0.4770 0.2533 0.053 Uiso 1 1 calc R
H28B H 0.0697 0.5537 0.1948 0.053 Uiso 1 1 calc R
H28C H 0.1178 0.6536 0.2409 0.053 Uiso 1 1 calc R
C29 C 0.2025(3) 0.4942(11) 0.2514(3) 0.046(2) Uani 1 1 d .
H29A H 0.2113 0.6053 0.2624 0.055 Uiso 1 1 calc R
H29B H 0.2257 0.4544 0.2375 0.055 Uiso 1 1 calc R
H29C H 0.2079 0.4305 0.2827 0.055 Uiso 1 1 calc R
F11 F 0.3773(2) 0.7395(6) 0.19010(19) 0.0590(14) Uani 1 1 d .
F12 F 0.39624(19) 0.4346(7) 0.1876(3) 0.0799(19) Uani 1 1 d .
F13 F 0.3476(2) 0.6049(6) 0.09644(19) 0.0542(13) Uani 1 1 d .
F14 F 0.27526(18) 0.6906(5) 0.1226(2) 0.0525(13) Uani 1 1 d .
F15 F 0.29490(17) 0.3844(5) 0.11941(18) 0.0409(11) Uani 1 1 d .
F16 F 0.3208(2) 0.5268(6) 0.21193(18) 0.0573(14) Uani 1 1 d .
F21 F -0.2416(3) 0.6563(11) 0.1462(2) 0.145(4) Uani 1 1 d .
F22 F -0.1409(5) 0.7350(8) 0.1844(3) 0.167(5) Uani 1 1 d .
F23 F -0.1143(2) 0.4403(9) 0.2150(2) 0.097(2) Uani 1 1 d .
F24 F -0.2124(3) 0.3662(8) 0.1779(2) 0.088(2) Uani 1 1 d .
F25 F -0.1733(2) 0.6040(6) 0.24677(17) 0.0558(14) Uani 1 1 d .
F26 F -0.1818(2) 0.5058(6) 0.11378(17) 0.0499(12) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.5308 1.6751 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
P1 Te1 Ag1 113.30(5) . 3
P1 Te1 Ag1 126.16(5) . .
Ag1 Te1 Ag1 94.535(19) 3 .
P2 Te2 Ag1 111.80(4) . 3_565
P2 Te2 Ag1 125.47(4) . .
Ag1 Te2 Ag1 97.800(19) 3_565 .
P3 Te3 Ag2 112.83(4) . .
P3 Te3 Ag2 130.58(4) . 3_675
Ag2 Te3 Ag2 100.961(19) . 3_675
P4 Te4 Ag2 111.28(4) . .
P4 Te4 Ag2 123.89(4) . 3_685
Ag2 Te4 Ag2 92.553(19) . 3_685
F12 Sb1 F11 90.1(2) . .
F12 Sb1 F14 179.5(3) . .
F11 Sb1 F14 89.8(2) . .
F12 Sb1 F15 89.6(2) . .
F11 Sb1 F15 179.5(2) . .
F14 Sb1 F15 90.5(2) . .
F12 Sb1 F13 91.9(3) . .
F11 Sb1 F13 88.8(2) . .
F14 Sb1 F13 88.6(2) . .
F15 Sb1 F13 90.7(2) . .
F12 Sb1 F16 91.4(3) . .
F11 Sb1 F16 91.1(2) . .
F14 Sb1 F16 88.2(2) . .
F15 Sb1 F16 89.36(19) . .
F13 Sb1 F16 176.8(2) . .
F21 Sb2 F22 92.2(5) . .
F21 Sb2 F24 90.4(4) . .
F22 Sb2 F24 177.3(5) . .
F21 Sb2 F23 177.4(4) . .
F22 Sb2 F23 90.4(4) . .
F24 Sb2 F23 86.9(3) . .
F21 Sb2 F26 90.9(2) . .
F22 Sb2 F26 90.1(2) . .
F24 Sb2 F26 90.6(2) . .
F23 Sb2 F26 89.5(2) . .
F21 Sb2 F25 89.3(2) . .
F22 Sb2 F25 89.2(2) . .
F24 Sb2 F25 90.2(2) . .
F23 Sb2 F25 90.3(3) . .
F26 Sb2 F25 179.2(2) . .
Te1 Ag1 Te2 128.13(2) 3 3_565
Te1 Ag1 Te2 131.12(2) 3 .
Te2 Ag1 Te2 82.197(19) 3_565 .
Te1 Ag1 Te1 85.464(19) 3 .
Te2 Ag1 Te1 120.00(2) 3_565 .
Te2 Ag1 Te1 113.67(2) . .
Te4 Ag2 Te3 134.78(2) . .
Te4 Ag2 Te3 125.52(2) . 3_675
Te3 Ag2 Te3 79.039(18) . 3_675
Te4 Ag2 Te4 87.446(19) . 3_685
Te3 Ag2 Te4 116.04(2) . 3_685
Te3 Ag2 Te4 117.67(2) 3_675 3_685
C14 P1 C11 107.9(3) . .
C14 P1 C17 107.1(4) . .
C11 P1 C17 107.9(3) . .
C14 P1 Te1 111.8(2) . .
C11 P1 Te1 109.9(2) . .
C17 P1 Te1 112.1(2) . .
C27 P2 C21 107.8(3) . .
C27 P2 C24 114.4(3) . .
C21 P2 C24 106.9(3) . .
C27 P2 Te2 108.2(2) . .
C21 P2 Te2 110.7(2) . .
C24 P2 Te2 108.9(2) . .
C37 P3 C34 107.0(3) . .
C37 P3 C31 106.8(3) . .
C34 P3 C31 114.6(3) . .
C37 P3 Te3 112.3(2) . .
C34 P3 Te3 108.97(19) . .
C31 P3 Te3 107.3(2) . .
C44 P4 C47 108.8(3) . .
C44 P4 C41 109.1(3) . .
C47 P4 C41 106.8(3) . .
C44 P4 Te4 108.8(2) . .
C47 P4 Te4 110.9(2) . .
C41 P4 Te4 112.3(2) . .
C13 C11 C12 110.1(7) . .
C13 C11 P1 111.6(5) . .
C12 C11 P1 112.5(5) . .
C16 C14 C15 111.8(7) . .
C16 C14 P1 112.0(5) . .
C15 C14 P1 113.1(5) . .
C18 C17 C19 110.8(6) . .
C18 C17 P1 114.8(5) . .
C19 C17 P1 112.6(5) . .
C43 C41 C42 110.9(6) . .
C43 C41 P4 114.1(5) . .
C42 C41 P4 112.5(5) . .
C46 C44 C45 111.4(6) . .
C46 C44 P4 112.0(5) . .
C45 C44 P4 112.6(5) . .
C49 C47 C48 110.6(6) . .
C49 C47 P4 111.7(5) . .
C48 C47 P4 112.0(4) . .
C32 C31 C33 110.1(6) . .
C32 C31 P3 114.1(5) . .
C33 C31 P3 114.2(4) . .
C35 C34 C36 111.1(5) . .
C35 C34 P3 113.9(4) . .
C36 C34 P3 113.7(4) . .
C39 C37 C38 111.0(6) . .
C39 C37 P3 111.9(5) . .
C38 C37 P3 111.9(5) . .
C22 C21 C23 112.1(6) . .
C22 C21 P2 112.6(5) . .
C23 C21 P2 110.4(5) . .
C25 C24 C26 111.3(6) . .
C25 C24 P2 114.1(5) . .
C26 C24 P2 113.2(5) . .
C28 C27 C29 111.8(6) . .
C28 C27 P2 114.8(5) . .
C29 C27 P2 113.3(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Te1 P1 2.4346(15) .
Te1 Ag1 2.7857(7) 3
Te1 Ag1 2.9359(7) .
Te2 P2 2.4194(15) .
Te2 Ag1 2.8036(7) 3_565
Te2 Ag1 2.8557(7) .
Te3 P3 2.4218(15) .
Te3 Ag2 2.7943(7) .
Te3 Ag2 2.8740(7) 3_675
Te4 P4 2.4257(15) .
Te4 Ag2 2.7692(7) .
Te4 Ag2 2.9011(7) 3_685
Sb1 F12 1.854(5) .
Sb1 F11 1.865(4) .
Sb1 F14 1.865(4) .
Sb1 F15 1.867(4) .
Sb1 F13 1.871(4) .
Sb1 F16 1.880(4) .
Sb2 F21 1.813(6) .
Sb2 F22 1.826(6) .
Sb2 F24 1.847(6) .
Sb2 F23 1.861(6) .
Sb2 F26 1.864(4) .
Sb2 F25 1.874(4) .
Ag1 Te1 2.7857(7) 3
Ag1 Te2 2.8035(7) 3_565
Ag2 Te3 2.8740(7) 3_675
Ag2 Te4 2.9011(7) 3_685
P1 C14 1.831(7) .
P1 C11 1.833(7) .
P1 C17 1.856(7) .
P2 C27 1.830(6) .
P2 C21 1.833(6) .
P2 C24 1.846(7) .
P3 C37 1.829(6) .
P3 C34 1.832(6) .
P3 C31 1.839(6) .
P4 C44 1.828(6) .
P4 C47 1.838(6) .
P4 C41 1.853(7) .
C11 C13 1.518(10) .
C11 C12 1.522(10) .
C14 C16 1.527(11) .
C14 C15 1.534(10) .
C17 C18 1.503(10) .
C17 C19 1.538(9) .
C41 C43 1.516(9) .
C41 C42 1.543(9) .
C44 C46 1.518(9) .
C44 C45 1.524(10) .
C47 C49 1.509(9) .
C47 C48 1.548(9) .
C31 C32 1.509(9) .
C31 C33 1.538(8) .
C34 C35 1.519(8) .
C34 C36 1.532(8) .
C37 C39 1.521(9) .
C37 C38 1.528(9) .
C21 C22 1.517(9) .
C21 C23 1.527(9) .
C24 C25 1.520(9) .
C24 C26 1.534(9) .
C27 C28 1.513(9) .
C27 C29 1.541(9) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C11 H11 F22 1.00 2.36 3.331(9) 162.9 1_545
C15 H15A F23 0.98 2.61 3.508(10) 152.6 2_545
C44 H44 F11 1.00 2.39 3.318(8) 153.4 2_655
C48 H48B F11 0.98 2.45 3.353(9) 152.7 2_655
C48 H48C F12 0.98 2.54 3.469(9) 157.7 1_565
C39 H39B F21 0.98 2.53 3.434(10) 153.4 3_575
C27 H27 F25 1.00 2.57 3.391(8) 138.7 2_545
C28 H28A F22 0.98 2.56 3.453(10) 151.4 2_545
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
P2 Te2 Ag1 Te1 11.14(6) . 3
Ag1 Te2 Ag1 Te1 135.05(4) 3_565 3
P2 Te2 Ag1 Te2 -123.90(5) . 3_565
Ag1 Te2 Ag1 Te2 0.0 3_565 3_565
P2 Te2 Ag1 Te1 116.70(5) . .
Ag1 Te2 Ag1 Te1 -119.40(3) 3_565 .
P1 Te1 Ag1 Te1 123.32(5) . 3
Ag1 Te1 Ag1 Te1 -0.002(2) 3 3
P1 Te1 Ag1 Te2 -104.66(6) . 3_565
Ag1 Te1 Ag1 Te2 132.02(3) 3 3_565
P1 Te1 Ag1 Te2 -9.96(6) . .
Ag1 Te1 Ag1 Te2 -133.28(3) 3 .
P4 Te4 Ag2 Te3 2.96(6) . .
Ag2 Te4 Ag2 Te3 -125.09(4) 3_685 .
P4 Te4 Ag2 Te3 -109.32(5) . 3_675
Ag2 Te4 Ag2 Te3 122.64(3) 3_685 3_675
P4 Te4 Ag2 Te4 128.05(4) . 3_685
Ag2 Te4 Ag2 Te4 0.0 3_685 3_685
P3 Te3 Ag2 Te4 86.93(5) . .
Ag2 Te3 Ag2 Te4 -129.90(4) 3_675 .
P3 Te3 Ag2 Te3 -143.17(4) . 3_675
Ag2 Te3 Ag2 Te3 0.0 3_675 3_675
P3 Te3 Ag2 Te4 -27.59(5) . 3_685
Ag2 Te3 Ag2 Te4 115.58(3) 3_675 3_685
Ag1 Te1 P1 C14 65.4(3) 3 .
Ag1 Te1 P1 C14 -49.6(3) . .
Ag1 Te1 P1 C11 -54.4(2) 3 .
Ag1 Te1 P1 C11 -169.3(2) . .
Ag1 Te1 P1 C17 -174.3(2) 3 .
Ag1 Te1 P1 C17 70.7(2) . .
Ag1 Te2 P2 C27 139.8(2) 3_565 .
Ag1 Te2 P2 C27 -102.5(2) . .
Ag1 Te2 P2 C21 -102.2(2) 3_565 .
Ag1 Te2 P2 C21 15.5(2) . .
Ag1 Te2 P2 C24 15.0(2) 3_565 .
Ag1 Te2 P2 C24 132.7(2) . .
Ag2 Te3 P3 C37 112.6(2) . .
Ag2 Te3 P3 C37 -16.7(2) 3_675 .
Ag2 Te3 P3 C34 -5.8(2) . .
Ag2 Te3 P3 C34 -135.0(2) 3_675 .
Ag2 Te3 P3 C31 -130.4(2) . .
Ag2 Te3 P3 C31 100.4(2) 3_675 .
Ag2 Te4 P4 C44 57.7(2) . .
Ag2 Te4 P4 C44 166.3(2) 3_685 .
Ag2 Te4 P4 C47 -62.0(3) . .
Ag2 Te4 P4 C47 46.6(3) 3_685 .
Ag2 Te4 P4 C41 178.5(2) . .
Ag2 Te4 P4 C41 -72.9(2) 3_685 .
C14 P1 C11 C13 -177.2(5) . .
C17 P1 C11 C13 67.4(5) . .
Te1 P1 C11 C13 -55.1(5) . .
C14 P1 C11 C12 -52.9(7) . .
C17 P1 C11 C12 -168.3(6) . .
Te1 P1 C11 C12 69.2(6) . .
C11 P1 C14 C16 178.6(6) . .
C17 P1 C14 C16 -65.4(6) . .
Te1 P1 C14 C16 57.7(6) . .
C11 P1 C14 C15 -54.0(8) . .
C17 P1 C14 C15 62.0(8) . .
Te1 P1 C14 C15 -174.9(6) . .
C14 P1 C17 C18 144.0(6) . .
C11 P1 C17 C18 -100.1(6) . .
Te1 P1 C17 C18 21.0(6) . .
C14 P1 C17 C19 -88.0(6) . .
C11 P1 C17 C19 28.0(6) . .
Te1 P1 C17 C19 149.0(4) . .
C44 P4 C41 C43 101.4(6) . .
C47 P4 C41 C43 -141.1(5) . .
Te4 P4 C41 C43 -19.3(6) . .
C44 P4 C41 C42 -26.0(6) . .
C47 P4 C41 C42 91.5(5) . .
Te4 P4 C41 C42 -146.7(4) . .
C47 P4 C44 C46 175.9(5) . .
C41 P4 C44 C46 -67.9(5) . .
Te4 P4 C44 C46 55.0(5) . .
C47 P4 C44 C45 49.5(6) . .
C41 P4 C44 C45 165.7(5) . .
Te4 P4 C44 C45 -71.4(5) . .
C44 P4 C47 C49 -177.3(5) . .
C41 P4 C47 C49 65.0(6) . .
Te4 P4 C47 C49 -57.7(5) . .
C44 P4 C47 C48 57.9(7) . .
C41 P4 C47 C48 -59.7(7) . .
Te4 P4 C47 C48 177.5(5) . .
C37 P3 C31 C32 180.0(5) . .
C34 P3 C31 C32 -61.8(6) . .
Te3 P3 C31 C32 59.4(6) . .
C37 P3 C31 C33 -52.2(6) . .
C34 P3 C31 C33 66.0(6) . .
Te3 P3 C31 C33 -172.8(5) . .
C37 P3 C34 C35 -175.7(4) . .
C31 P3 C34 C35 66.1(5) . .
Te3 P3 C34 C35 -54.1(5) . .
C37 P3 C34 C36 55.6(5) . .
C31 P3 C34 C36 -62.6(5) . .
Te3 P3 C34 C36 177.2(4) . .
C34 P3 C37 C39 54.9(5) . .
C31 P3 C37 C39 178.0(5) . .
Te3 P3 C37 C39 -64.6(5) . .
C34 P3 C37 C38 -179.8(5) . .
C31 P3 C37 C38 -56.6(5) . .
Te3 P3 C37 C38 60.7(5) . .
C27 P2 C21 C22 51.2(5) . .
C24 P2 C21 C22 174.6(5) . .
Te2 P2 C21 C22 -67.1(5) . .
C27 P2 C21 C23 177.2(4) . .
C24 P2 C21 C23 -59.4(5) . .
Te2 P2 C21 C23 59.0(5) . .
C27 P2 C24 C25 -68.2(6) . .
C21 P2 C24 C25 172.5(5) . .
Te2 P2 C24 C25 52.9(5) . .
C27 P2 C24 C26 60.3(6) . .
C21 P2 C24 C26 -58.9(5) . .
Te2 P2 C24 C26 -178.5(4) . .
C21 P2 C27 C28 -176.3(5) . .
C24 P2 C27 C28 65.0(6) . .
Te2 P2 C27 C28 -56.5(6) . .
C21 P2 C27 C29 53.7(6) . .
C24 P2 C27 C29 -65.0(6) . .
Te2 P2 C27 C29 173.5(5) . .
