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#$Date: 2023-08-27 00:55:25 +0300 (Sun, 27 Aug 2023) $
#$Revision: 285884 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/20/7132061.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_7132061
loop_
_publ_author_name
'Rogovoy, Maxim'
'Rakhmanova, Marianna I.'
'Sadykov, Evgeniy'
'Carignan, Gia M.'
'Bagryanskaya, Irina Yu.'
'Li, Jing'
'Artem'ev, Alexander'
_publ_section_title
;
 Fast and reversible solvent-vapor-induced 1D to 2D transformation in
 emissive Ag(I)-organic networks
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D3CC03540A
_journal_year                    2023
_chemical_formula_moiety         'C35 H26 Ag3 F9 N4 O9 P2 S3'
_chemical_formula_sum            'C35 H26 Ag3 F9 N4 O9 P2 S3'
_chemical_formula_weight         1299.33
_chemical_name_systematic
'trifluoromethanesulfonate with  diphenyl(2-pyrimidyl)phosphine'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-08-05 deposited with the CCDC.	2023-08-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.227(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.4645(4)
_cell_length_b                   23.9337(11)
_cell_length_c                   19.7003(9)
_cell_measurement_reflns_used    9823
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      2.33
_cell_volume                     4436.2(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0401
_diffrn_reflns_av_unetI/netI     0.0194
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            44751
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.578
_diffrn_reflns_theta_min         2.326
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    1.618
_exptl_absorpt_correction_T_max  0.9281
_exptl_absorpt_correction_T_min  0.7144
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.945
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle-prism
_exptl_crystal_F_000             2544
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.082
_refine_diff_density_min         -1.191
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     313
_refine_ls_number_reflns         5124
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.102
_refine_ls_R_factor_all          0.0371
_refine_ls_R_factor_gt           0.0291
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0310P)²+13.1396P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0698
_refine_ls_wR_factor_ref         0.0766
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4433
_reflns_number_total             5124
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3cc03540a5.cif
_cod_data_source_block           1_mr94
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7132061
_shelx_shelxl_version_number     2018/3
_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'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_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 0.500000 0.500000 0.500000 0.05808(12) Uani 1 2 d S . P . .
Ag2 Ag 0.34015(2) 0.60171(2) 0.76898(2) 0.03721(7) Uani 1 1 d . . . . .
P1 P 0.51158(7) 0.61606(3) 0.62750(3) 0.02672(13) Uani 1 1 d . . . . .
S1 S 0.25778(7) 0.52828(3) 0.34379(3) 0.03493(15) Uani 1 1 d . . . . .
S2 S 0.0025(2) 0.67243(6) 0.76720(7) 0.0394(4) Uani 0.5 1 d . U P . .
C2S C 0.0336(10) 0.7453(3) 0.7548(9) 0.069(3) Uani 0.5 1 d . . P . .
O1 O 0.4023(2) 0.51420(10) 0.36882(12) 0.0534(6) Uani 1 1 d . . . . .
O2 O 0.1767(2) 0.48208(9) 0.31248(11) 0.0448(5) Uani 1 1 d . . . . .
O3 O 0.1850(3) 0.56159(10) 0.38946(13) 0.0579(6) Uani 1 1 d . . . . .
O4 O 0.1268(4) 0.6558(2) 0.7609(3) 0.1435(17) Uani 1 1 d . U . . .
O5 O -0.0100(6) 0.6666(3) 0.8382(3) 0.0730(15) Uani 0.5 1 d . U P . .
C1S C 0.2780(4) 0.57431(13) 0.27146(17) 0.0469(7) Uani 1 1 d . . . . .
F1 F 0.1531(3) 0.59139(13) 0.24282(15) 0.0916(9) Uani 1 1 d . . . . .
F2 F 0.3428(3) 0.54847(10) 0.22429(11) 0.0684(6) Uani 1 1 d . . . . .
F3 F 0.3544(3) 0.61898(9) 0.29102(13) 0.0742(7) Uani 1 1 d . . . . .
F4 F 0.0180(8) 0.7664(2) 0.8034(3) 0.222(3) Uani 1 1 d . . . . .
F5 F 0.1621(8) 0.7581(3) 0.7486(5) 0.132(3) Uani 0.5 1 d . . P . .
N1 N 0.3303(2) 0.53907(10) 0.55615(11) 0.0326(5) Uani 1 1 d . . . . .
N2 N 0.2713(2) 0.57086(9) 0.66298(10) 0.0293(4) Uani 1 1 d . . . . .
C1 C 0.3557(2) 0.56926(10) 0.61272(12) 0.0256(5) Uani 1 1 d . . . . .
C2 C 0.1478(3) 0.54296(12) 0.65372(14) 0.0357(6) Uani 1 1 d . . . . .
H13B H 0.086416 0.544082 0.687486 0.043 Uiso 1 1 calc R U . . .
C3 C 0.1104(3) 0.51267(14) 0.59507(15) 0.0437(7) Uani 1 1 d . . . . .
H10B H 0.023604 0.494199 0.587972 0.052 Uiso 1 1 calc R U . . .
C4 C 0.2059(3) 0.51079(13) 0.54757(15) 0.0411(6) Uani 1 1 d . . . . .
H14B H 0.184547 0.489461 0.508329 0.049 Uiso 1 1 calc R U . . .
C5 C 0.6033(3) 0.61672(11) 0.55084(13) 0.0322(5) Uani 1 1 d . . . . .
C6 C 0.5337(4) 0.62229(14) 0.48498(15) 0.0454(7) Uani 1 1 d . . . . .
H7AA H 0.435042 0.620464 0.477922 0.054 Uiso 1 1 calc R U . . .
C7 C 0.6117(5) 0.63054(18) 0.42995(18) 0.0658(11) Uani 1 1 d . . . . .
H6BA H 0.565624 0.633158 0.385896 0.079 Uiso 1 1 calc R U . . .
C8 C 0.7582(5) 0.6349(2) 0.4411(2) 0.0759(13) Uani 1 1 d . . . . .
H2B H 0.810293 0.641505 0.404518 0.091 Uiso 1 1 calc R U . . .
C9 C 0.8268(4) 0.62942(19) 0.5053(2) 0.0681(11) Uani 1 1 d . . . . .
H9B H 0.925297 0.632124 0.512120 0.082 Uiso 1 1 calc R U . . .
C10 C 0.7506(3) 0.61988(14) 0.56052(16) 0.0464(7) Uani 1 1 d . . . . .
H5BA H 0.798216 0.615592 0.604043 0.056 Uiso 1 1 calc R U . . .
C11 C 0.4258(3) 0.68440(11) 0.62414(14) 0.0384(6) Uani 1 1 d . . . . .
C12 C 0.2940(4) 0.69503(15) 0.58875(19) 0.0580(9) Uani 1 1 d . . . . .
H1B H 0.240955 0.665903 0.567694 0.070 Uiso 1 1 calc R U . . .
C13 C 0.2413(6) 0.74888(19) 0.5847(2) 0.0820(14) Uani 1 1 d . . . . .
H9A H 0.152117 0.755689 0.561462 0.098 Uiso 1 1 calc R U . . .
C14 C 0.3179(7) 0.79175(19) 0.6142(3) 0.0916(18) Uani 1 1 d . . . . .
H3BA H 0.282182 0.827944 0.610115 0.110 Uiso 1 1 calc R U . . .
C15 C 0.4476(7) 0.78220(18) 0.6499(3) 0.0949(18) Uani 1 1 d . . . . .
H4BA H 0.499679 0.811934 0.670061 0.114 Uiso 1 1 calc R U . . .
C16 C 0.5026(5) 0.72789(15) 0.6563(2) 0.0667(10) Uani 1 1 d . . . . .
H8A H 0.589557 0.721180 0.681717 0.080 Uiso 1 1 calc R U . . .
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'
Ag Ag -0.8971 1.1015 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N1 180.0 . 5_666 ?
N2 Ag2 P1 158.89(6) . 2_656 ?
N2 Ag2 O4 87.59(13) . . ?
P1 Ag2 O4 113.32(11) 2_656 . ?
N2 Ag2 Ag2 88.22(5) . 2_656 ?
P1 Ag2 Ag2 73.397(17) 2_656 2_656 ?
O4 Ag2 Ag2 143.09(15) . 2_656 ?
C5 P1 C11 102.27(12) . . ?
C5 P1 C1 108.56(11) . . ?
C11 P1 C1 101.12(12) . . ?
C5 P1 Ag2 115.04(9) . 2_656 ?
C11 P1 Ag2 112.38(10) . 2_656 ?
C1 P1 Ag2 115.78(8) . 2_656 ?
O3 S1 O1 114.68(16) . . ?
O3 S1 O2 115.11(14) . . ?
O1 S1 O2 114.02(14) . . ?
O3 S1 C1S 104.62(15) . . ?
O1 S1 C1S 103.40(15) . . ?
O2 S1 C1S 102.95(14) . . ?
S2 S2 O4 82.3(4) 2_556 . ?
S2 S2 O4 68.0(4) 2_556 2_556 ?
O4 S2 O4 133.0(4) . 2_556 ?
S2 S2 O5 169.6(5) 2_556 . ?
O4 S2 O5 104.1(4) . . ?
O4 S2 O5 101.9(4) 2_556 . ?
S2 S2 C2S 81.8(6) 2_556 . ?
O4 S2 C2S 97.2(5) . . ?
O4 S2 C2S 112.8(4) 2_556 . ?
O5 S2 C2S 105.2(6) . . ?
S2 S2 C2S 76.7(6) 2_556 2_556 ?
O4 S2 C2S 115.6(5) . 2_556 ?
O4 S2 C2S 92.7(4) 2_556 2_556 ?
O5 S2 C2S 107.1(6) . 2_556 ?
C2S S2 C2S 20.5(5) . 2_556 ?
S2 S2 O5 7.1(3) 2_556 2_556 ?
O4 S2 O5 75.4(3) . 2_556 ?
O4 S2 O5 72.5(3) 2_556 2_556 ?
O5 S2 O5 170.1(4) . 2_556 ?
C2S S2 O5 84.6(6) . 2_556 ?
C2S S2 O5 81.6(6) 2_556 2_556 ?
C2S C2S F4 92(3) 2_556 . ?
C2S C2S F5 154(3) 2_556 . ?
F4 C2S F5 101.0(8) . . ?
C2S C2S F4 58(3) 2_556 2_556 ?
F4 C2S F4 120.9(9) . 2_556 ?
F5 C2S F4 95.4(12) . 2_556 ?
C2S C2S S2 82.4(7) 2_556 . ?
F4 C2S S2 106.7(12) . . ?
F5 C2S S2 114.9(6) . . ?
F4 C2S S2 116.6(7) 2_556 . ?
C2S C2S S2 77.1(7) 2_556 2_556 ?
F4 C2S S2 127.1(12) . 2_556 ?
F5 C2S S2 111.4(8) . 2_556 ?
F4 C2S S2 96.9(8) 2_556 2_556 ?
S2 C2S S2 21.50(13) . 2_556 ?
C2S C2S F5 18(2) 2_556 2_556 ?
F4 C2S F5 74.4(7) . 2_556 ?
F5 C2S F5 155.4(9) . 2_556 ?
F4 C2S F5 68.2(5) 2_556 2_556 ?
S2 C2S F5 89.3(5) . 2_556 ?
S2 C2S F5 89.4(4) 2_556 2_556 ?
S2 O4 S2 29.72(14) . 2_556 ?
S2 O4 Ag2 162.8(4) . . ?
S2 O4 Ag2 155.6(3) 2_556 . ?
S2 O5 S2 3.33(15) . 2_556 ?
F1 C1S F2 107.9(3) . . ?
F1 C1S F3 108.1(3) . . ?
F2 C1S F3 107.6(3) . . ?
F1 C1S S1 110.8(2) . . ?
F2 C1S S1 111.2(2) . . ?
F3 C1S S1 111.1(2) . . ?
C2S F4 C2S 29.7(9) . 2_556 ?
C2S F5 C2S 8.8(11) . 2_556 ?
C1 N1 C4 116.9(2) . . ?
C1 N1 Ag1 124.38(16) . . ?
C4 N1 Ag1 112.87(18) . . ?
C1 N2 C2 117.8(2) . . ?
C1 N2 Ag2 124.13(16) . . ?
C2 N2 Ag2 116.82(16) . . ?
N1 C1 N2 124.6(2) . . ?
N1 C1 P1 122.02(18) . . ?
N2 C1 P1 113.34(17) . . ?
N2 C2 C3 121.1(2) . . ?
N2 C2 H13B 119.4 . . ?
C3 C2 H13B 119.4 . . ?
C4 C3 C2 117.5(3) . . ?
C4 C3 H10B 121.3 . . ?
C2 C3 H10B 121.3 . . ?
N1 C4 C3 121.9(3) . . ?
N1 C4 H14B 119.1 . . ?
C3 C4 H14B 119.1 . . ?
C10 C5 C6 119.2(3) . . ?
C10 C5 P1 116.6(2) . . ?
C6 C5 P1 123.5(2) . . ?
C7 C6 C5 120.1(3) . . ?
C7 C6 H7AA 120.0 . . ?
C5 C6 H7AA 120.0 . . ?
C8 C7 C6 119.6(3) . . ?
C8 C7 H6BA 120.2 . . ?
C6 C7 H6BA 120.2 . . ?
C9 C8 C7 120.5(3) . . ?
C9 C8 H2B 119.7 . . ?
C7 C8 H2B 119.7 . . ?
C8 C9 C10 120.5(4) . . ?
C8 C9 H9B 119.8 . . ?
C10 C9 H9B 119.8 . . ?
C9 C10 C5 120.0(3) . . ?
C9 C10 H5BA 120.0 . . ?
C5 C10 H5BA 120.0 . . ?
C16 C11 C12 119.5(3) . . ?
C16 C11 P1 116.6(3) . . ?
C12 C11 P1 123.8(2) . . ?
C13 C12 C11 120.0(4) . . ?
C13 C12 H1B 120.0 . . ?
C11 C12 H1B 120.0 . . ?
C14 C13 C12 120.7(5) . . ?
C14 C13 H9A 119.6 . . ?
C12 C13 H9A 119.6 . . ?
C13 C14 C15 120.3(4) . . ?
C13 C14 H3BA 119.9 . . ?
C15 C14 H3BA 119.9 . . ?
C14 C15 C16 120.4(5) . . ?
C14 C15 H4BA 119.8 . . ?
C16 C15 H4BA 119.8 . . ?
C11 C16 C15 119.0(5) . . ?
C11 C16 H8A 120.5 . . ?
C15 C16 H8A 120.5 . . ?
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 N1 2.250(2) . ?
Ag1 N1 2.250(2) 5_666 ?
Ag2 N2 2.244(2) . ?
Ag2 P1 2.3717(7) 2_656 ?
Ag2 O4 2.389(3) . ?
Ag2 Ag2 3.1946(4) 2_656 ?
P1 C5 1.822(3) . ?
P1 C11 1.824(3) . ?
P1 C1 1.850(2) . ?
S1 O3 1.433(2) . ?
S1 O1 1.442(2) . ?
S1 O2 1.446(2) . ?
S1 C1S 1.828(3) . ?
S2 S2 0.674(3) 2_556 ?
S2 O4 1.261(4) . ?
S2 O4 1.347(4) 2_556 ?
S2 O5 1.424(5) . ?
S2 C2S 1.790(9) . ?
S2 C2S 1.820(8) 2_556 ?
S2 O5 2.090(6) 2_556 ?
C2S C2S 0.643(16) 2_556 ?
C2S F4 1.106(17) . ?
C2S F5 1.273(13) . ?
C2S F4 1.297(16) 2_556 ?
C2S F5 1.872(11) 2_556 ?
C1S F1 1.318(4) . ?
C1S F2 1.321(4) . ?
C1S F3 1.324(4) . ?
N1 C1 1.328(3) . ?
N1 C4 1.353(4) . ?
N2 C1 1.339(3) . ?
N2 C2 1.341(3) . ?
C2 C3 1.377(4) . ?
C2 H13B 0.9300 . ?
C3 C4 1.370(4) . ?
C3 H10B 0.9300 . ?
C4 H14B 0.9300 . ?
C5 C10 1.388(4) . ?
C5 C6 1.396(4) . ?
C6 C7 1.390(4) . ?
C6 H7AA 0.9300 . ?
C7 C8 1.384(6) . ?
C7 H6BA 0.9300 . ?
C8 C9 1.364(6) . ?
C8 H2B 0.9300 . ?
C9 C10 1.388(4) . ?
C9 H9B 0.9300 . ?
C10 H5BA 0.9300 . ?
C11 C16 1.383(5) . ?
C11 C12 1.385(5) . ?
C12 C13 1.381(5) . ?
C12 H1B 0.9300 . ?
C13 C14 1.350(8) . ?
C13 H9A 0.9300 . ?
C14 C15 1.366(8) . ?
C14 H3BA 0.9300 . ?
C15 C16 1.401(6) . ?
C15 H4BA 0.9300 . ?
C16 H8A 0.9300 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
S2 S2 C2S C2S 74(3) 2_556 . . 2_556 ?
O4 S2 C2S C2S 155(3) . . . 2_556 ?
O4 S2 C2S C2S 12(3) 2_556 . . 2_556 ?
O5 S2 C2S C2S -98(3) . . . 2_556 ?
O5 S2 C2S C2S 80(3) 2_556 . . 2_556 ?
S2 S2 C2S F4 163.6(8) 2_556 . . . ?
O4 S2 C2S F4 -115.3(7) . . . . ?
O4 S2 C2S F4 101.7(8) 2_556 . . . ?
O5 S2 C2S F4 -8.6(8) . . . . ?
C2S S2 C2S F4 90(3) 2_556 . . . ?
O5 S2 C2S F4 170.1(7) 2_556 . . . ?
S2 S2 C2S F5 -85.3(13) 2_556 . . . ?
O4 S2 C2S F5 -4.3(13) . . . . ?
O4 S2 C2S F5 -147.2(10) 2_556 . . . ?
O5 S2 C2S F5 102.5(12) . . . . ?
C2S S2 C2S F5 -159(4) 2_556 . . . ?
O5 S2 C2S F5 -78.8(12) 2_556 . . . ?
S2 S2 C2S F4 25.0(10) 2_556 . . 2_556 ?
O4 S2 C2S F4 106.1(9) . . . 2_556 ?
O4 S2 C2S F4 -36.9(12) 2_556 . . 2_556 ?
O5 S2 C2S F4 -147.1(9) . . . 2_556 ?
C2S S2 C2S F4 -49(3) 2_556 . . 2_556 ?
O5 S2 C2S F4 31.6(10) 2_556 . . 2_556 ?
O4 S2 C2S S2 81.1(4) . . . 2_556 ?
O4 S2 C2S S2 -61.9(5) 2_556 . . 2_556 ?
O5 S2 C2S S2 -172.2(6) . . . 2_556 ?
C2S S2 C2S S2 -74(3) 2_556 . . 2_556 ?
O5 S2 C2S S2 6.5(4) 2_556 . . 2_556 ?
S2 S2 C2S F5 90.1(7) 2_556 . . 2_556 ?
O4 S2 C2S F5 171.2(6) . . . 2_556 ?
O4 S2 C2S F5 28.2(9) 2_556 . . 2_556 ?
O5 S2 C2S F5 -82.0(7) . . . 2_556 ?
C2S S2 C2S F5 16(3) 2_556 . . 2_556 ?
O5 S2 C2S F5 96.7(6) 2_556 . . 2_556 ?
O4 S2 O4 S2 50.0(4) 2_556 . . 2_556 ?
O5 S2 O4 S2 171.6(3) . . . 2_556 ?
C2S S2 O4 S2 -80.6(6) . . . 2_556 ?
C2S S2 O4 S2 -71.2(6) 2_556 . . 2_556 ?
O5 S2 O4 S2 1.8(2) 2_556 . . 2_556 ?
S2 S2 O4 Ag2 -123.7(11) 2_556 . . . ?
O4 S2 O4 Ag2 -73.7(10) 2_556 . . . ?
O5 S2 O4 Ag2 47.9(12) . . . . ?
C2S S2 O4 Ag2 155.6(12) . . . . ?
C2S S2 O4 Ag2 165.1(11) 2_556 . . . ?
O5 S2 O4 Ag2 -121.9(11) 2_556 . . . ?
O4 S2 O5 S2 -127(2) . . . 2_556 ?
O4 S2 O5 S2 13.6(19) 2_556 . . 2_556 ?
C2S S2 O5 S2 132(2) . . . 2_556 ?
C2S S2 O5 S2 110(2) 2_556 . . 2_556 ?
O3 S1 C1S F1 -59.2(3) . . . . ?
O1 S1 C1S F1 -179.6(3) . . . . ?
O2 S1 C1S F1 61.5(3) . . . . ?
O3 S1 C1S F2 -179.2(2) . . . . ?
O1 S1 C1S F2 60.4(3) . . . . ?
O2 S1 C1S F2 -58.6(3) . . . . ?
O3 S1 C1S F3 61.0(3) . . . . ?
O1 S1 C1S F3 -59.4(3) . . . . ?
O2 S1 C1S F3 -178.4(2) . . . . ?
F5 C2S F4 C2S 157(2) . . . 2_556 ?
F4 C2S F4 C2S 53.8(12) 2_556 . . 2_556 ?
S2 C2S F4 C2S -82.6(16) . . . 2_556 ?
S2 C2S F4 C2S -75.2(16) 2_556 . . 2_556 ?
F5 C2S F4 C2S 1.8(14) 2_556 . . 2_556 ?
F4 C2S F5 C2S -118(5) . . . 2_556 ?
F4 C2S F5 C2S 5(5) 2_556 . . 2_556 ?
S2 C2S F5 C2S 128(6) . . . 2_556 ?
S2 C2S F5 C2S 105(6) 2_556 . . 2_556 ?
F5 C2S F5 C2S -41(2) 2_556 . . 2_556 ?
C4 N1 C1 N2 4.1(4) . . . . ?
Ag1 N1 C1 N2 -147.1(2) . . . . ?
C4 N1 C1 P1 -173.4(2) . . . . ?
Ag1 N1 C1 P1 35.5(3) . . . . ?
C2 N2 C1 N1 -4.6(4) . . . . ?
Ag2 N2 C1 N1 162.33(19) . . . . ?
C2 N2 C1 P1 173.10(19) . . . . ?
Ag2 N2 C1 P1 -20.0(2) . . . . ?
C5 P1 C1 N1 5.2(2) . . . . ?
C11 P1 C1 N1 112.3(2) . . . . ?
Ag2 P1 C1 N1 -125.99(19) 2_656 . . . ?
C5 P1 C1 N2 -172.56(18) . . . . ?
C11 P1 C1 N2 -65.4(2) . . . . ?
Ag2 P1 C1 N2 56.28(19) 2_656 . . . ?
C1 N2 C2 C3 1.3(4) . . . . ?
Ag2 N2 C2 C3 -166.5(2) . . . . ?
N2 C2 C3 C4 1.9(5) . . . . ?
C1 N1 C4 C3 -0.5(4) . . . . ?
Ag1 N1 C4 C3 153.9(3) . . . . ?
C2 C3 C4 N1 -2.4(5) . . . . ?
C11 P1 C5 C10 109.9(2) . . . . ?
C1 P1 C5 C10 -143.8(2) . . . . ?
Ag2 P1 C5 C10 -12.2(3) 2_656 . . . ?
C11 P1 C5 C6 -60.6(3) . . . . ?
C1 P1 C5 C6 45.7(3) . . . . ?
Ag2 P1 C5 C6 177.3(2) 2_656 . . . ?
C10 C5 C6 C7 0.4(5) . . . . ?
P1 C5 C6 C7 170.7(3) . . . . ?
C5 C6 C7 C8 -1.9(6) . . . . ?
C6 C7 C8 C9 1.9(7) . . . . ?
C7 C8 C9 C10 -0.5(7) . . . . ?
C8 C9 C10 C5 -1.1(6) . . . . ?
C6 C5 C10 C9 1.1(5) . . . . ?
P1 C5 C10 C9 -169.9(3) . . . . ?
C5 P1 C11 C16 -90.2(3) . . . . ?
C1 P1 C11 C16 157.8(3) . . . . ?
Ag2 P1 C11 C16 33.7(3) 2_656 . . . ?
C5 P1 C11 C12 86.3(3) . . . . ?
C1 P1 C11 C12 -25.8(3) . . . . ?
Ag2 P1 C11 C12 -149.8(2) 2_656 . . . ?
C16 C11 C12 C13 1.1(5) . . . . ?
P1 C11 C12 C13 -175.3(3) . . . . ?
C11 C12 C13 C14 1.0(6) . . . . ?
C12 C13 C14 C15 -1.6(7) . . . . ?
C13 C14 C15 C16 0.1(8) . . . . ?
C12 C11 C16 C15 -2.5(6) . . . . ?
P1 C11 C16 C15 174.1(3) . . . . ?
C14 C15 C16 C11 2.0(7) . . . . ?
