#------------------------------------------------------------------------------
#$Date: 2021-08-30 11:37:20 +0300 (Mon, 30 Aug 2021) $
#$Revision: 268287 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/44/1564439.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_1564439
loop_
_publ_author_name
'Han, Jing'
'Li, Qing'
'Yu, Zhong'
'Quan, Chun-yan'
'Liu, Xiang'
'Han, Jia-cai'
_publ_section_title
;
 Light-driven coordination anions-directed regulation of chromism in three
 metal complexes assembled by cyano-equipped dithienylethene ligand
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119666
_journal_paper_doi               10.1016/j.ica.2020.119666
_journal_volume                  509
_journal_year                    2020
_chemical_formula_sum            'C33 H24 Ag B F10 N2 O S2'
_chemical_formula_weight         837.34
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 103.077(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.923(9)
_cell_length_b                   12.083(8)
_cell_length_c                   21.164(13)
_cell_measurement_reflns_used    861
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.10
_cell_measurement_theta_min      2.32
_cell_volume                     3468(4)
_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-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.2238
_diffrn_reflns_av_sigmaI/netI    0.3762
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            16913
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    0.786
_exptl_absorpt_correction_T_max  0.8800
_exptl_absorpt_correction_T_min  0.7673
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.604
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1672
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.573
_refine_diff_density_min         -0.498
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.901
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     453
_refine_ls_number_reflns         6165
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.901
_refine_ls_R_factor_all          0.2771
_refine_ls_R_factor_gt           0.0905
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1936
_refine_ls_wR_factor_ref         0.2948
_reflns_number_gt                1942
_reflns_number_total             6165
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               1564439
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.22895(8) 0.50794(8) 0.29660(6) 0.0852(6) Uani 1 1 d . . .
S1 S 0.1768(2) 0.6707(2) 0.36880(17) 0.0550(10) Uani 1 1 d . . .
S2 S 0.2649(2) 0.6695(3) 0.11141(18) 0.0644(11) Uani 1 1 d . . .
B1 B 0.164(2) 0.340(2) 0.398(3) 0.19(2) Uani 1 1 d . . .
F1 F 0.2929(7) 1.0727(6) 0.3500(4) 0.107(3) Uani 1 1 d . . .
F2 F 0.1346(7) 1.0796(6) 0.3097(4) 0.098(3) Uani 1 1 d . . .
F3 F 0.1948(7) 1.2254(6) 0.2354(4) 0.102(3) Uani 1 1 d . . .
F4 F 0.3349(7) 1.1465(8) 0.2492(5) 0.136(4) Uani 1 1 d . . .
F5 F 0.1043(8) 1.0772(7) 0.1539(5) 0.118(4) Uani 1 1 d . . .
F6 F 0.2462(11) 1.0748(7) 0.1357(5) 0.152(5) Uani 1 1 d . . .
F7 F 0.1201(8) 0.2449(8) 0.4082(5) 0.141(4) Uani 1 1 d . . .
F8 F 0.1016(10) 0.4046(13) 0.3726(12) 0.253(11) Uani 1 1 d . . .
F9 F 0.167(2) 0.3932(19) 0.4606(9) 0.312(15) Uani 1 1 d . . .
F10 F 0.2437(10) 0.3518(13) 0.3930(10) 0.225(8) Uani 1 1 d . . .
N1 N 0.6122(8) 0.5122(9) 0.6648(6) 0.082(4) Uani 1 1 d . . .
N2 N -0.1302(8) 0.5156(8) -0.2030(6) 0.075(4) Uani 1 1 d . . .
O1 O 0.3432(17) 0.3365(15) 0.106(2) 0.275(16) Uani 1 1 d . . .
C1 C 0.5544(11) 0.5449(11) 0.6216(8) 0.070(4) Uani 1 1 d . . .
C2 C 0.4843(9) 0.5940(11) 0.5667(6) 0.056(4) Uani 1 1 d . . .
C3 C 0.3880(10) 0.5538(10) 0.5503(7) 0.065(4) Uani 1 1 d . . .
H3 H 0.3672 0.4983 0.5745 0.078 Uiso 1 1 calc R . .
C4 C 0.3240(9) 0.5994(10) 0.4963(6) 0.059(4) Uani 1 1 d . . .
H4 H 0.2598 0.5732 0.4836 0.070 Uiso 1 1 calc R . .
C5 C 0.3554(8) 0.6834(9) 0.4615(6) 0.048(3) Uani 1 1 d . . .
C6 C 0.4544(9) 0.7195(9) 0.4801(6) 0.058(4) Uani 1 1 d . . .
H6 H 0.4772 0.7728 0.4554 0.070 Uiso 1 1 calc R . .
C7 C 0.5168(8) 0.6772(11) 0.5338(7) 0.061(4) Uani 1 1 d . . .
H7 H 0.5805 0.7048 0.5475 0.073 Uiso 1 1 calc R . .
C8 C 0.2891(7) 0.7322(9) 0.4040(6) 0.042(3) Uani 1 1 d . . .
C9 C 0.3005(8) 0.8242(9) 0.3703(6) 0.048(3) Uani 1 1 d . . .
H9 H 0.3544 0.8712 0.3829 0.057 Uiso 1 1 calc R . .
C10 C 0.2248(8) 0.8442(9) 0.3148(5) 0.040(3) Uani 1 1 d . . .
C11 C 0.1505(8) 0.7683(8) 0.3072(6) 0.048(3) Uani 1 1 d . . .
C12 C 0.0554(8) 0.7627(10) 0.2571(6) 0.069(4) Uani 1 1 d . . .
H12A H 0.0300 0.8361 0.2474 0.104 Uiso 1 1 calc R . .
H12B H 0.0085 0.7194 0.2734 0.104 Uiso 1 1 calc R . .
H12C H 0.0669 0.7290 0.2184 0.104 Uiso 1 1 calc R . .
C13 C 0.2233(8) 0.9379(11) 0.2729(7) 0.052(4) Uani 1 1 d . . .
C14 C 0.2247(11) 1.0566(12) 0.2965(9) 0.072(5) Uani 1 1 d . . .
C15 C 0.2379(11) 1.1298(13) 0.2392(8) 0.071(4) Uani 1 1 d . . .
C16 C 0.2056(13) 1.0523(14) 0.1805(8) 0.079(5) Uani 1 1 d . . .
C17 C 0.2145(9) 0.9362(10) 0.2073(8) 0.055(4) Uani 1 1 d . . .
C18 C 0.2108(9) 0.8428(9) 0.1631(6) 0.047(3) Uani 1 1 d . . .
C19 C 0.1379(8) 0.8245(11) 0.1062(6) 0.057(4) Uani 1 1 d . . .
H19 H 0.0844 0.8713 0.0921 0.068 Uiso 1 1 calc R . .
C20 C 0.1538(8) 0.7319(10) 0.0743(7) 0.055(4) Uani 1 1 d . . .
C21 C 0.2882(10) 0.7665(10) 0.1719(6) 0.063(4) Uani 1 1 d . . .
C22 C 0.3858(9) 0.7603(10) 0.2231(6) 0.079(5) Uani 1 1 d . . .
H22A H 0.4181 0.8310 0.2265 0.119 Uiso 1 1 calc R . .
H22B H 0.4275 0.7052 0.2106 0.119 Uiso 1 1 calc R . .
H22C H 0.3726 0.7409 0.2644 0.119 Uiso 1 1 calc R . .
C23 C 0.0937(8) 0.6847(10) 0.0158(6) 0.050(3) Uani 1 1 d . . .
C24 C 0.0073(8) 0.7352(10) -0.0167(6) 0.059(4) Uani 1 1 d . . .
H24 H -0.0132 0.8003 -0.0004 0.070 Uiso 1 1 calc R . .
C25 C -0.0482(9) 0.6903(11) -0.0726(7) 0.068(4) Uani 1 1 d . . .
H25 H -0.1050 0.7268 -0.0942 0.081 Uiso 1 1 calc R . .
C26 C -0.0218(9) 0.5907(10) -0.0980(6) 0.056(4) Uani 1 1 d . . .
C27 C 0.0640(10) 0.5370(11) -0.0658(7) 0.071(4) Uani 1 1 d . . .
H27 H 0.0829 0.4702 -0.0812 0.085 Uiso 1 1 calc R . .
C28 C 0.1208(10) 0.5861(11) -0.0100(7) 0.073(4) Uani 1 1 d . . .
H28 H 0.1791 0.5517 0.0109 0.087 Uiso 1 1 calc R . .
C29 C -0.0810(10) 0.5480(11) -0.1555(8) 0.074(5) Uani 1 1 d . . .
C30 C 0.3344(15) 0.386(2) 0.0375(12) 0.129(8) Uani 1 1 d . . .
H30A H 0.3501 0.3301 0.0086 0.155 Uiso 1 1 calc R . .
H30B H 0.2674 0.4111 0.0202 0.155 Uiso 1 1 calc R . .
C31 C 0.398(2) 0.4732(18) 0.0409(15) 0.144(12) Uani 1 1 d . . .
H31A H 0.3601 0.5386 0.0243 0.173 Uiso 1 1 calc R . .
H31B H 0.4424 0.4580 0.0127 0.173 Uiso 1 1 calc R . .
C32 C 0.4586(14) 0.4983(19) 0.108(2) 0.21(2) Uani 1 1 d . . .
H32A H 0.4444 0.5719 0.1221 0.258 Uiso 1 1 calc R . .
H32B H 0.5286 0.4928 0.1098 0.258 Uiso 1 1 calc R . .
C33 C 0.426(3) 0.408(4) 0.1519(13) 0.26(3) Uani 1 1 d . . .
H33A H 0.4005 0.4425 0.1861 0.308 Uiso 1 1 calc R . .
H33B H 0.4817 0.3618 0.1716 0.308 Uiso 1 1 calc R . .
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'
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'
Ag Ag -0.8971 1.1015 '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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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
N2 Ag1 N1 135.0(5) 3_565 3_666
N2 Ag1 S1 114.8(3) 3_565 .
N1 Ag1 S1 104.4(3) 3_666 .
C11 S1 C8 92.7(6) . .
C11 S1 Ag1 96.2(4) . .
C8 S1 Ag1 102.9(4) . .
C21 S2 C20 92.3(6) . .
F10 B1 F8 120(4) . .
F10 B1 F7 128(3) . .
F8 B1 F7 108(2) . .
F10 B1 F9 102(3) . .
F8 B1 F9 89(2) . .
F7 B1 F9 98(3) . .
C1 N1 Ag1 143.6(12) . 3_666
C29 N2 Ag1 167.7(11) . 3_565
C30 O1 C33 104.5(19) . .
N1 C1 C2 176.0(16) . .
C7 C2 C3 122.9(11) . .
C7 C2 C1 117.9(12) . .
C3 C2 C1 119.2(13) . .
C4 C3 C2 117.9(13) . .
C4 C3 H3 121.1 . .
C2 C3 H3 121.1 . .
C5 C4 C3 120.5(11) . .
C5 C4 H4 119.8 . .
C3 C4 H4 119.8 . .
C4 C5 C6 118.9(10) . .
C4 C5 C8 121.4(10) . .
C6 C5 C8 119.6(11) . .
C7 C6 C5 120.9(12) . .
C7 C6 H6 119.6 . .
C5 C6 H6 119.6 . .
C2 C7 C6 118.8(11) . .
C2 C7 H7 120.6 . .
C6 C7 H7 120.6 . .
C9 C8 C5 129.8(10) . .
C9 C8 S1 109.1(8) . .
C5 C8 S1 121.1(9) . .
C8 C9 C10 115.2(10) . .
C8 C9 H9 122.4 . .
C10 C9 H9 122.4 . .
C11 C10 C9 112.7(11) . .
C11 C10 C13 123.6(10) . .
C9 C10 C13 123.6(10) . .
C10 C11 C12 129.6(10) . .
C10 C11 S1 110.1(8) . .
C12 C11 S1 120.3(9) . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C17 C13 C10 126.9(12) . .
C17 C13 C14 109.9(13) . .
C10 C13 C14 123.1(13) . .
F1 C14 F2 108.0(15) . .
F1 C14 C13 112.0(11) . .
F2 C14 C13 108.3(12) . .
F1 C14 C15 113.5(13) . .
F2 C14 C15 108.8(12) . .
C13 C14 C15 106.1(14) . .
F3 C15 F4 108.3(13) . .
F3 C15 C16 116.4(13) . .
F4 C15 C16 108.7(14) . .
F3 C15 C14 115.0(14) . .
F4 C15 C14 105.0(12) . .
C16 C15 C14 102.7(13) . .
F6 C16 F5 103.4(15) . .
F6 C16 C17 118.6(15) . .
F5 C16 C17 109.5(13) . .
F6 C16 C15 112.5(15) . .
F5 C16 C15 105.8(12) . .
C17 C16 C15 106.2(13) . .
C13 C17 C18 130.2(12) . .
C13 C17 C16 110.4(13) . .
C18 C17 C16 119.4(13) . .
C21 C18 C19 113.4(11) . .
C21 C18 C17 120.7(11) . .
C19 C18 C17 125.7(11) . .
C20 C19 C18 113.0(11) . .
C20 C19 H19 123.5 . .
C18 C19 H19 123.5 . .
C19 C20 C23 128.8(11) . .
C19 C20 S2 111.2(9) . .
C23 C20 S2 119.9(10) . .
C18 C21 C22 131.2(11) . .
C18 C21 S2 110.0(9) . .
C22 C21 S2 118.8(9) . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C24 C23 C28 117.5(12) . .
C24 C23 C20 121.4(12) . .
C28 C23 C20 121.0(11) . .
C25 C24 C23 120.8(13) . .
C25 C24 H24 119.6 . .
C23 C24 H24 119.6 . .
C24 C25 C26 121.7(12) . .
C24 C25 H25 119.1 . .
C26 C25 H25 119.1 . .
C27 C26 C25 118.8(12) . .
C27 C26 C29 121.5(13) . .
C25 C26 C29 119.7(12) . .
C26 C27 C28 118.3(13) . .
C26 C27 H27 120.8 . .
C28 C27 H27 120.8 . .
C27 C28 C23 122.8(12) . .
C27 C28 H28 118.6 . .
C23 C28 H28 118.6 . .
N2 C29 C26 178.3(15) . .
C31 C30 O1 110(2) . .
C31 C30 H30A 109.8 . .
O1 C30 H30A 109.8 . .
C31 C30 H30B 109.8 . .
O1 C30 H30B 109.8 . .
H30A C30 H30B 108.2 . .
C30 C31 C32 115(2) . .
C30 C31 H31A 108.5 . .
C32 C31 H31A 108.5 . .
C30 C31 H31B 108.5 . .
C32 C31 H31B 108.5 . .
H31A C31 H31B 107.5 . .
C31 C32 C33 104(2) . .
C31 C32 H32A 111.0 . .
C33 C32 H32A 111.0 . .
C31 C32 H32B 111.0 . .
C33 C32 H32B 111.0 . .
H32A C32 H32B 109.0 . .
C32 C33 O1 107(2) . .
C32 C33 H33A 110.3 . .
O1 C33 H33A 110.3 . .
C32 C33 H33B 110.3 . .
O1 C33 H33B 110.3 . .
H33A C33 H33B 108.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N2 2.158(12) 3_565
Ag1 N1 2.192(12) 3_666
Ag1 S1 2.689(4) .
S1 C11 1.734(12) .
S1 C8 1.739(10) .
S2 C21 1.713(12) .
S2 C20 1.740(11) .
B1 F10 1.14(3) .
B1 F8 1.20(3) .
B1 F7 1.35(3) .
B1 F9 1.48(4) .
F1 C14 1.318(15) .
F2 C14 1.374(15) .
F3 C15 1.296(15) .
F4 C15 1.333(15) .
F5 C16 1.428(17) .
F6 C16 1.239(17) .
N1 C1 1.142(14) .
N1 Ag1 2.192(12) 3_666
N2 C29 1.151(16) .
N2 Ag1 2.158(12) 3_565
O1 C30 1.56(3) .
O1 C33 1.58(4) .
C1 C2 1.463(18) .
C2 C7 1.358(16) .
C2 C3 1.394(16) .
C3 C4 1.393(15) .
C3 H3 0.9300 .
C4 C5 1.381(15) .
C4 H4 0.9300 .
C5 C6 1.415(15) .
C5 C8 1.474(14) .
C6 C7 1.364(15) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 C9 1.349(14) .
C9 C10 1.411(13) .
C9 H9 0.9300 .
C10 C11 1.365(14) .
C10 C13 1.435(16) .
C11 C12 1.499(14) .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 C17 1.367(18) .
C13 C14 1.517(19) .
C14 C15 1.55(2) .
C15 C16 1.54(2) .
C16 C17 1.51(2) .
C17 C18 1.460(17) .
C18 C21 1.397(15) .
C18 C19 1.405(14) .
C19 C20 1.352(15) .
C19 H19 0.9300 .
C20 C23 1.445(15) .
C21 C22 1.536(14) .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 C24 1.385(14) .
C23 C28 1.398(16) .
C24 C25 1.371(15) .
C24 H24 0.9300 .
C25 C26 1.401(15) .
C25 H25 0.9300 .
C26 C27 1.394(15) .
C26 C29 1.403(17) .
C27 C28 1.397(16) .
C27 H27 0.9300 .
C28 H28 0.9300 .
C30 C31 1.36(2) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 C32 1.52(4) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 C33 1.56(4) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
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
N2 Ag1 S1 C11 -45.9(5) 3_565 . . .
N1 Ag1 S1 C11 111.5(5) 3_666 . . .
N2 Ag1 S1 C8 -140.2(5) 3_565 . . .
N1 Ag1 S1 C8 17.2(6) 3_666 . . .
Ag1 N1 C1 C2 -50(24) 3_666 . . .
N1 C1 C2 C7 24(23) . . . .
N1 C1 C2 C3 -156(22) . . . .
C7 C2 C3 C4 2(2) . . . .
C1 C2 C3 C4 -177.7(12) . . . .
C2 C3 C4 C5 -1.3(19) . . . .
C3 C4 C5 C6 2.2(19) . . . .
C3 C4 C5 C8 179.5(12) . . . .
C4 C5 C6 C7 -3.9(19) . . . .
C8 C5 C6 C7 178.8(12) . . . .
C3 C2 C7 C6 -4(2) . . . .
C1 C2 C7 C6 176.1(12) . . . .
C5 C6 C7 C2 4(2) . . . .
C4 C5 C8 C9 168.4(13) . . . .
C6 C5 C8 C9 -14.3(19) . . . .
C4 C5 C8 S1 -11.6(16) . . . .
C6 C5 C8 S1 165.6(10) . . . .
C11 S1 C8 C9 2.4(9) . . . .
Ag1 S1 C8 C9 99.4(8) . . . .
C11 S1 C8 C5 -177.6(10) . . . .
Ag1 S1 C8 C5 -80.5(10) . . . .
C5 C8 C9 C10 176.4(12) . . . .
S1 C8 C9 C10 -3.5(13) . . . .
C8 C9 C10 C11 3.2(15) . . . .
C8 C9 C10 C13 179.7(12) . . . .
C9 C10 C11 C12 176.8(12) . . . .
C13 C10 C11 C12 0(2) . . . .
C9 C10 C11 S1 -1.2(13) . . . .
C13 C10 C11 S1 -177.7(10) . . . .
C8 S1 C11 C10 -0.7(10) . . . .
Ag1 S1 C11 C10 -104.0(9) . . . .
C8 S1 C11 C12 -178.9(10) . . . .
Ag1 S1 C11 C12 77.8(10) . . . .
C11 C10 C13 C17 -57.9(19) . . . .
C9 C10 C13 C17 125.9(14) . . . .
C11 C10 C13 C14 117.7(14) . . . .
C9 C10 C13 C14 -58.5(17) . . . .
C17 C13 C14 F1 -136.3(14) . . . .
C10 C13 C14 F1 47.5(18) . . . .
C17 C13 C14 F2 104.7(14) . . . .
C10 C13 C14 F2 -71.5(15) . . . .
C17 C13 C14 C15 -11.9(15) . . . .
C10 C13 C14 C15 171.8(11) . . . .
F1 C14 C15 F3 -89.2(16) . . . .
F2 C14 C15 F3 31.1(18) . . . .
C13 C14 C15 F3 147.4(12) . . . .
F1 C14 C15 F4 29.7(18) . . . .
F2 C14 C15 F4 150.0(13) . . . .
C13 C14 C15 F4 -93.7(14) . . . .
F1 C14 C15 C16 143.4(13) . . . .
F2 C14 C15 C16 -96.4(14) . . . .
C13 C14 C15 C16 19.9(15) . . . .
F3 C15 C16 F6 81(2) . . . .
F4 C15 C16 F6 -42(2) . . . .
C14 C15 C16 F6 -152.4(15) . . . .
F3 C15 C16 F5 -31.2(19) . . . .
F4 C15 C16 F5 -153.8(13) . . . .
C14 C15 C16 F5 95.3(14) . . . .
F3 C15 C16 C17 -147.6(14) . . . .
F4 C15 C16 C17 89.9(15) . . . .
C14 C15 C16 C17 -21.0(16) . . . .
C10 C13 C17 C18 -5(2) . . . .
C14 C13 C17 C18 179.4(12) . . . .
C10 C13 C17 C16 174.2(12) . . . .
C14 C13 C17 C16 -1.9(15) . . . .
F6 C16 C17 C13 142.9(16) . . . .
F5 C16 C17 C13 -98.8(14) . . . .
C15 C16 C17 C13 15.0(16) . . . .
F6 C16 C17 C18 -38(2) . . . .
F5 C16 C17 C18 80.1(15) . . . .
C15 C16 C17 C18 -166.1(12) . . . .
C13 C17 C18 C21 -58(2) . . . .
C16 C17 C18 C21 123.1(14) . . . .
C13 C17 C18 C19 127.5(15) . . . .
C16 C17 C18 C19 -51.2(18) . . . .
C21 C18 C19 C20 4.7(16) . . . .
C17 C18 C19 C20 179.3(12) . . . .
C18 C19 C20 C23 177.8(12) . . . .
C18 C19 C20 S2 -4.0(14) . . . .
C21 S2 C20 C19 1.8(10) . . . .
C21 S2 C20 C23 -179.8(11) . . . .
C19 C18 C21 C22 174.4(14) . . . .
C17 C18 C21 C22 0(2) . . . .
C19 C18 C21 S2 -3.2(15) . . . .
C17 C18 C21 S2 -178.1(10) . . . .
C20 S2 C21 C18 0.8(11) . . . .
C20 S2 C21 C22 -177.2(11) . . . .
C19 C20 C23 C24 1(2) . . . .
S2 C20 C23 C24 -176.9(10) . . . .
C19 C20 C23 C28 -178.6(13) . . . .
S2 C20 C23 C28 3.3(17) . . . .
C28 C23 C24 C25 -1.0(19) . . . .
C20 C23 C24 C25 179.2(12) . . . .
C23 C24 C25 C26 2(2) . . . .
C24 C25 C26 C27 -1(2) . . . .
C24 C25 C26 C29 -179.9(13) . . . .
C25 C26 C27 C28 -1(2) . . . .
C29 C26 C27 C28 178.1(13) . . . .
C26 C27 C28 C23 2(2) . . . .
C24 C23 C28 C27 -1(2) . . . .
C20 C23 C28 C27 179.0(13) . . . .
Ag1 N2 C29 C26 2(63) 3_565 . . .
C27 C26 C29 N2 -151(57) . . . .
C25 C26 C29 N2 28(58) . . . .
C33 O1 C30 C31 -1(2) . . . .
O1 C30 C31 C32 0(2) . . . .
C30 C31 C32 C33 1(2) . . . .
C31 C32 C33 O1 -2(2) . . . .
C30 O1 C33 C32 2(2) . . . .
