#------------------------------------------------------------------------------
#$Date: 2020-11-06 14:46:00 +0200 (Fri, 06 Nov 2020) $
#$Revision: 258911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/99/7059981.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_7059981
loop_
_publ_author_name
'Dias, H. V. Rasika'
'Palehepitiya Gamage, Chammi S.'
'Jayaratna, Naleen B.'
'Hettiarachchi, Champika V.'
_publ_section_title
;
 Mixed ligand complexes of silver(i) supported by highly fluorinated
 pyrazolates, and chelating and bridging N-heterocycles
;
_journal_issue                   39
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              17079
_journal_page_last               17087
_journal_paper_doi               10.1039/D0NJ04007J
_journal_volume                  44
_journal_year                    2020
_chemical_formula_moiety         'C27 H11 Ag3 F18 N8'
_chemical_formula_sum            'C27 H11 Ag3 F18 N8'
_chemical_formula_weight         1113.05
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2019-07-30
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-08-06 deposited with the CCDC.	2020-09-11 downloaded from the CCDC.
;
_cell_angle_alpha                113.919(3)
_cell_angle_beta                 91.759(4)
_cell_angle_gamma                107.231(4)
_cell_formula_units_Z            2
_cell_length_a                   9.771(3)
_cell_length_b                   12.915(5)
_cell_length_c                   15.031(5)
_cell_measurement_reflns_used    9926
_cell_measurement_temperature    100
_cell_measurement_theta_max      28.30
_cell_measurement_theta_min      2.22
_cell_volume                     1631.2(10)
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       'SMART V5.631 (?, 2016)'
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type
'Bruker D8 Quest with a Photon 100 CMOS detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0307
_diffrn_reflns_av_unetI/netI     0.0608
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15085
_diffrn_reflns_point_group_measured_fraction_full 0.904
_diffrn_reflns_point_group_measured_fraction_max 0.839
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.296
_diffrn_reflns_theta_min         1.505
_diffrn_source                   'sealed tube'
_diffrn_source_current           40.0
_diffrn_source_power             2.0
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.923
_exptl_absorpt_correction_T_max  0.3343
_exptl_absorpt_correction_T_min  0.2886
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0567 before and 0.0501 after correction. The Ratio of minimum to maximum transmission is 0.8633. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.266
_exptl_crystal_description       parallelpipeds
_exptl_crystal_F_000             1064
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.23
_refine_diff_density_max         0.912
_refine_diff_density_min         -0.576
_refine_diff_density_rms         0.122
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.466(19)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1010
_refine_ls_number_reflns         13595
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0318
_refine_ls_R_factor_gt           0.0315
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0388P)²+0.1143P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0829
_refine_ls_wR_factor_ref         0.0833
_reflns_Friedel_coverage         0.731
_reflns_Friedel_fraction_full    0.814
_reflns_Friedel_fraction_max     0.709
_reflns_number_gt                13447
_reflns_number_total             13595
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0nj04007j2.cif
_cod_data_source_block           dias7070m_0m_a
_cod_depositor_comments
'Adding full bibliography for 7059979--7059984.cif.'
_cod_original_cell_volume        1631.3(10)
_cod_database_code               7059981
_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.
;
_shelx_estimated_absorpt_t_max   0.666
_shelx_estimated_absorpt_t_min   0.625
_olex2_refinement_description
;
1. Twinned data refinement
 Scales: 0.534(19)
 0.466(19)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
3.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C7(H7), C12(H12), C17(H17), C18(H18), C19(H19), C20(H20), C23(H23),
 C24(H24), C25(H25), C26(H26), C29(H29), C34(H34), C39(H39), C44(H44), C45(H45),
  C46(H46), C47(H47), C50(H50), C51(H51), C52(H52), C53(H53)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.42577(4) 0.61836(4) 0.77005(3) 0.01857(9) Uani 1 1 d . . . . .
Ag2 Ag 0.23031(4) 0.33640(3) 0.71581(3) 0.01941(10) Uani 1 1 d . . . . .
Ag3 Ag 0.57200(4) 0.46044(3) 0.85690(3) 0.01593(9) Uani 1 1 d . . . . .
F1 F 0.2466(8) 0.7861(5) 0.7149(6) 0.077(2) Uani 1 1 d . . . . .
F2 F 0.2266(7) 0.8255(4) 0.8643(5) 0.068(2) Uani 1 1 d . . . . .
F3 F 0.0489(5) 0.8008(4) 0.7653(5) 0.0488(13) Uani 1 1 d . . . . .
F4 F -0.1550(5) 0.2490(4) 0.5826(4) 0.0420(11) Uani 1 1 d . . . . .
F5 F -0.1176(5) 0.2673(5) 0.7305(5) 0.0561(16) Uani 1 1 d . . . . .
F6 F -0.2731(4) 0.3365(4) 0.6894(3) 0.0317(9) Uani 1 1 d . . . . .
F7 F 0.0640(5) 0.0788(4) 0.6375(4) 0.0404(11) Uani 1 1 d . . . . .
F8 F 0.1274(5) -0.0736(4) 0.6171(4) 0.0428(11) Uani 1 1 d . . . . .
F9 F 0.0268(4) 0.0011(4) 0.7396(3) 0.0354(9) Uani 1 1 d . . . . .
F10 F 0.7055(6) 0.3351(4) 0.9362(5) 0.0616(18) Uani 1 1 d . . . . .
F11 F 0.7006(5) 0.1558(5) 0.8467(4) 0.0400(10) Uani 1 1 d . . . . .
F12 F 0.5982(5) 0.1915(5) 0.9742(3) 0.0399(10) Uani 1 1 d . . . . .
F13 F 0.9228(7) 0.5627(5) 0.9403(4) 0.0579(16) Uani 1 1 d . . . . .
F14 F 0.8600(7) 0.6532(8) 1.0727(5) 0.081(3) Uani 1 1 d . . . . .
F15 F 1.0506(5) 0.7420(5) 1.0295(5) 0.0610(17) Uani 1 1 d . . . . .
F16 F 0.8159(4) 1.0138(3) 0.9135(3) 0.0313(9) Uani 1 1 d . . . . .
F17 F 0.6939(8) 0.8798(4) 0.7728(4) 0.0583(17) Uani 1 1 d . . . . .
F18 F 0.5880(5) 0.9284(4) 0.8977(5) 0.0571(16) Uani 1 1 d . . . . .
N1 N 0.1943(5) 0.5697(4) 0.7438(3) 0.0172(9) Uani 1 1 d . . . . .
N2 N 0.1139(5) 0.4539(4) 0.7205(3) 0.0148(9) Uani 1 1 d . . . . .
N3 N 0.3181(5) 0.2285(4) 0.7614(3) 0.0164(9) Uani 1 1 d . . . . .
N4 N 0.4513(5) 0.2804(4) 0.8194(4) 0.0168(9) Uani 1 1 d . . . . .
N5 N 0.6958(5) 0.6389(5) 0.8922(4) 0.0168(9) Uani 1 1 d . . . . .
N6 N 0.6400(5) 0.7036(4) 0.8573(4) 0.0166(9) Uani 1 1 d . . . . .
N7 N 0.4920(5) 0.4642(5) 0.6244(4) 0.0191(9) Uani 1 1 d . . . . .
N8 N 0.4172(5) 0.3534(5) 0.6014(4) 0.0188(9) Uani 1 1 d . . . . .
C1 C 0.1009(6) 0.6289(5) 0.7454(4) 0.0169(11) Uani 1 1 d . . . . .
C2 C -0.0414(6) 0.5527(5) 0.7219(4) 0.0187(11) Uani 1 1 d . . . . .
H2 H -0.128334 0.570402 0.717386 0.022 Uiso 1 1 calc R . . . .
C3 C -0.0259(6) 0.4437(5) 0.7067(4) 0.0164(10) Uani 1 1 d . . . . .
C4 C 0.1560(7) 0.7596(6) 0.7717(5) 0.0245(13) Uani 1 1 d . . . . .
C5 C -0.1407(6) 0.3252(6) 0.6789(5) 0.0219(12) Uani 1 1 d . . . . .
C6 C 0.2687(6) 0.1117(5) 0.7451(4) 0.0195(11) Uani 1 1 d . . . . .
C7 C 0.3699(7) 0.0854(5) 0.7913(4) 0.0189(11) Uani 1 1 d . . . . .
H7 H 0.363170 0.010693 0.791751 0.023 Uiso 1 1 calc R . . . .
C8 C 0.4823(7) 0.1933(5) 0.8363(4) 0.0194(11) Uani 1 1 d . . . . .
C9 C 0.1226(7) 0.0300(6) 0.6849(5) 0.0233(12) Uani 1 1 d . . . . .
C10 C 0.6211(8) 0.2192(6) 0.8982(5) 0.0280(13) Uani 1 1 d . . . . .
C11 C 0.8267(6) 0.7124(5) 0.9489(4) 0.0198(11) Uani 1 1 d . . . . .
C12 C 0.8590(7) 0.8263(6) 0.9524(5) 0.0215(12) Uani 1 1 d . . . . .
H12 H 0.943504 0.894838 0.986867 0.026 Uiso 1 1 calc R . . . .
C13 C 0.7386(6) 0.8163(5) 0.8936(4) 0.0182(11) Uani 1 1 d . . . . .
C14 C 0.9140(7) 0.6693(6) 0.9992(5) 0.0227(12) Uani 1 1 d . . . . .
C15 C 0.7093(7) 0.9101(6) 0.8699(5) 0.0244(12) Uani 1 1 d . . . . .
C16 C 0.6033(6) 0.4920(6) 0.5726(4) 0.0180(11) Uani 1 1 d . . . . .
C17 C 0.6752(7) 0.6160(6) 0.6005(5) 0.0237(12) Uani 1 1 d . . . . .
H17 H 0.646870 0.674938 0.651053 0.028 Uiso 1 1 calc R . . . .
C18 C 0.7868(7) 0.6502(6) 0.5535(5) 0.0235(12) Uani 1 1 d . . . . .
H18 H 0.835332 0.733208 0.571466 0.028 Uiso 1 1 calc R . . . .
C19 C 0.8294(7) 0.5627(6) 0.4788(5) 0.0246(12) Uani 1 1 d . . . . .
H19 H 0.907364 0.587129 0.447417 0.030 Uiso 1 1 calc R . . . .
C20 C 0.7584(7) 0.4415(6) 0.4508(5) 0.0234(12) Uani 1 1 d . . . . .
H20 H 0.788252 0.383495 0.400384 0.028 Uiso 1 1 calc R . . . .
C21 C 0.6417(6) 0.4026(6) 0.4965(4) 0.0184(11) Uani 1 1 d . . . . .
C22 C 0.5597(7) 0.2802(6) 0.4721(4) 0.0192(11) Uani 1 1 d . . . . .
C23 C 0.5828(7) 0.1794(6) 0.3995(5) 0.0264(13) Uani 1 1 d . . . . .
H23 H 0.659381 0.190448 0.363204 0.032 Uiso 1 1 calc R . . . .
C24 C 0.4960(8) 0.0657(6) 0.3806(5) 0.0278(13) Uani 1 1 d . . . . .
H24 H 0.513131 -0.001322 0.331149 0.033 Uiso 1 1 calc R . . . .
C25 C 0.3811(8) 0.0457(6) 0.4332(5) 0.0273(13) Uani 1 1 d . . . . .
H25 H 0.321214 -0.033974 0.418739 0.033 Uiso 1 1 calc R . . . .
C26 C 0.3572(7) 0.1416(6) 0.5048(5) 0.0242(12) Uani 1 1 d . . . . .
H26 H 0.280475 0.128774 0.540551 0.029 Uiso 1 1 calc R . . . .
C27 C 0.4462(7) 0.2608(5) 0.5263(4) 0.0195(11) Uani 1 1 d . . . . .
Ag4 Ag 0.77818(4) 0.62665(4) 0.26564(3) 0.01877(10) Uani 1 1 d . . . . .
Ag5 Ag 0.57929(4) 0.34016(4) 0.20510(3) 0.01987(10) Uani 1 1 d . . . . .
Ag6 Ag 0.48315(4) 0.56315(3) 0.37679(3) 0.01632(9) Uani 1 1 d . . . . .
F19 F 1.1294(5) 0.7077(4) 0.3194(4) 0.0429(12) Uani 1 1 d . . . . .
F20 F 1.1334(5) 0.6531(4) 0.1640(4) 0.0379(10) Uani 1 1 d . . . . .
F21 F 1.2724(4) 0.6126(4) 0.2492(3) 0.0285(8) Uani 1 1 d . . . . .
F22 F 0.9387(5) 0.1322(4) 0.1214(3) 0.0287(8) Uani 1 1 d . . . . .
F23 F 0.7152(4) 0.1261(4) 0.1140(3) 0.0319(9) Uani 1 1 d . . . . .
F24 F 0.8438(5) 0.1809(4) 0.2536(3) 0.0303(8) Uani 1 1 d . . . . .
F25 F 0.4151(5) 0.0687(4) 0.1599(3) 0.0365(10) Uani 1 1 d . . . . .
F26 F 0.2226(5) -0.0180(4) 0.2036(3) 0.0403(11) Uani 1 1 d . . . . .
F27 F 0.2037(5) 0.0403(4) 0.0899(3) 0.0349(9) Uani 1 1 d . . . . .
F28 F 0.2725(5) 0.5049(5) 0.5215(3) 0.0399(11) Uani 1 1 d . . . . .
F29 F 0.0795(7) 0.3509(5) 0.4838(4) 0.0630(17) Uani 1 1 d . . . . .
F30 F 0.0987(6) 0.4652(6) 0.4116(3) 0.0497(14) Uani 1 1 d . . . . .
F31 F 0.4733(6) 0.7717(6) 0.5930(4) 0.0495(13) Uani 1 1 d . . . . .
F32 F 0.3479(5) 0.7972(6) 0.4914(4) 0.0480(13) Uani 1 1 d . . . . .
F33 F 0.4910(8) 0.9495(5) 0.6141(5) 0.081(3) Uani 1 1 d . . . . .
F34 F 0.9721(5) 1.0713(4) 0.4496(4) 0.0407(11) Uani 1 1 d . . . . .
F35 F 1.0284(7) 0.9140(5) 0.3985(6) 0.076(2) Uani 1 1 d . . . . .
F36 F 0.8945(8) 0.9412(8) 0.3003(4) 0.102(4) Uani 1 1 d . . . . .
N9 N 0.8858(5) 0.4949(5) 0.2196(4) 0.0184(9) Uani 1 1 d . . . . .
N10 N 0.8066(5) 0.3797(5) 0.1990(3) 0.0164(9) Uani 1 1 d . . . . .
N11 N 0.3837(5) 0.2926(4) 0.2642(4) 0.0179(9) Uani 1 1 d . . . . .
N12 N 0.3536(5) 0.3847(5) 0.3352(4) 0.0172(9) Uani 1 1 d . . . . .
N13 N 0.6069(5) 0.7428(5) 0.4177(4) 0.0166(9) Uani 1 1 d . . . . .
N14 N 0.7256(5) 0.7727(4) 0.3763(4) 0.0186(9) Uani 1 1 d . . . . .
N15 N 0.5579(5) 0.5546(5) 0.1388(4) 0.0186(10) Uani 1 1 d . . . . .
N16 N 0.4842(5) 0.4414(5) 0.1130(4) 0.0189(10) Uani 1 1 d . . . . .
C28 C 1.0245(6) 0.5012(5) 0.2147(4) 0.0176(11) Uani 1 1 d . . . . .
C29 C 1.0390(7) 0.3902(6) 0.1898(4) 0.0211(12) Uani 1 1 d . . . . .
H29 H 1.124543 0.369123 0.180863 0.025 Uiso 1 1 calc R . . . .
C30 C 0.8988(6) 0.3171(5) 0.1811(4) 0.0166(10) Uani 1 1 d . . . . .
C31 C 1.1384(7) 0.6178(6) 0.2362(5) 0.0241(12) Uani 1 1 d . . . . .
C32 C 0.8480(7) 0.1899(6) 0.1663(4) 0.0219(12) Uani 1 1 d . . . . .
C33 C 0.2849(6) 0.1886(5) 0.2543(4) 0.0207(11) Uani 1 1 d . . . . .
C34 C 0.1866(7) 0.2119(6) 0.3199(5) 0.0229(12) Uani 1 1 d . . . . .
H34 H 0.105795 0.155963 0.328148 0.028 Uiso 1 1 calc R . . . .
C35 C 0.2362(6) 0.3364(6) 0.3695(4) 0.0206(11) Uani 1 1 d . . . . .
C36 C 0.2820(7) 0.0706(6) 0.1778(5) 0.0275(13) Uani 1 1 d . . . . .
C37 C 0.1718(7) 0.4149(6) 0.4469(4) 0.0248(13) Uani 1 1 d . . . . .
C38 C 0.5979(7) 0.8446(6) 0.4869(5) 0.0216(12) Uani 1 1 d . . . . .
C39 C 0.7091(8) 0.9437(6) 0.4929(5) 0.0277(13) Uani 1 1 d . . . . .
H39 H 0.727763 1.026220 0.535448 0.033 Uiso 1 1 calc R . . . .
C40 C 0.7870(7) 0.8939(6) 0.4217(4) 0.0229(12) Uani 1 1 d . . . . .
C41 C 0.4780(8) 0.8415(6) 0.5463(5) 0.0278(14) Uani 1 1 d . . . . .
C42 C 0.9189(8) 0.9548(6) 0.3924(5) 0.0333(15) Uani 1 1 d . . . . .
C43 C 0.5076(7) 0.6219(5) 0.1028(4) 0.0192(11) Uani 1 1 d . . . . .
C44 C 0.5969(7) 0.7432(6) 0.1341(5) 0.0223(12) Uani 1 1 d . . . . .
H44 H 0.687098 0.775032 0.177432 0.027 Uiso 1 1 calc R . . . .
C45 C 0.5508(8) 0.8147(6) 0.1006(5) 0.0256(13) Uani 1 1 d . . . . .
H45 H 0.607822 0.897078 0.122845 0.031 Uiso 1 1 calc R . . . .
C46 C 0.4197(8) 0.7654(7) 0.0337(5) 0.0284(14) Uani 1 1 d . . . . .
H46 H 0.391083 0.814517 0.009372 0.034 Uiso 1 1 calc R . . . .
C47 C 0.3330(7) 0.6492(6) 0.0030(5) 0.0234(12) Uani 1 1 d . . . . .
H47 H 0.244171 0.618407 -0.041406 0.028 Uiso 1 1 calc R . . . .
C48 C 0.3752(6) 0.5738(6) 0.0372(4) 0.0184(11) Uani 1 1 d . . . . .
C49 C 0.2902(6) 0.4506(5) 0.0110(4) 0.0171(11) Uani 1 1 d . . . . .
C50 C 0.1490(6) 0.3883(6) -0.0483(4) 0.0226(12) Uani 1 1 d . . . . .
H50 H 0.103735 0.429100 -0.073168 0.027 Uiso 1 1 calc R . . . .
C51 C 0.0785(7) 0.2711(7) -0.0695(5) 0.0265(13) Uani 1 1 d . . . . .
H51 H -0.016452 0.231783 -0.107899 0.032 Uiso 1 1 calc R . . . .
C52 C 0.1447(7) 0.2054(6) -0.0350(4) 0.0243(12) Uani 1 1 d . . . . .
H52 H 0.096369 0.122362 -0.052980 0.029 Uiso 1 1 calc R . . . .
C53 C 0.2795(7) 0.2649(6) 0.0246(4) 0.0217(12) Uani 1 1 d . . . . .
H53 H 0.323801 0.223365 0.049252 0.026 Uiso 1 1 calc R . . . .
C54 C 0.3517(6) 0.3873(5) 0.0490(4) 0.0178(11) 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'
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'
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 Ag2 62.53(13) . . ?
N1 Ag1 N6 155.96(19) . . ?
N1 Ag1 N7 106.90(17) . . ?
N6 Ag1 Ag2 122.00(13) . . ?
N6 Ag1 N7 95.59(17) . . ?
N7 Ag1 Ag2 66.45(11) . . ?
N2 Ag2 Ag1 63.03(13) . . ?
N2 Ag2 N3 158.73(18) . . ?
N2 Ag2 N8 107.25(17) . . ?
N3 Ag2 Ag1 120.76(13) . . ?
N3 Ag2 N8 92.56(17) . . ?
N8 Ag2 Ag1 67.08(12) . . ?
N5 Ag3 N4 178.7(2) . . ?
N2 N1 Ag1 117.6(4) . . ?
C1 N1 Ag1 135.0(4) . . ?
C1 N1 N2 107.4(5) . . ?
N1 N2 Ag2 116.8(4) . . ?
C3 N2 Ag2 135.7(4) . . ?
C3 N2 N1 107.5(4) . . ?
N4 N3 Ag2 118.9(4) . . ?
C6 N3 Ag2 133.7(4) . . ?
C6 N3 N4 107.5(5) . . ?
N3 N4 Ag3 120.0(4) . . ?
N3 N4 C8 107.2(5) . . ?
C8 N4 Ag3 132.6(4) . . ?
N6 N5 Ag3 119.2(4) . . ?
C11 N5 Ag3 132.9(4) . . ?
C11 N5 N6 107.8(5) . . ?
N5 N6 Ag1 118.5(4) . . ?
C13 N6 Ag1 134.2(4) . . ?
C13 N6 N5 107.2(5) . . ?
N8 N7 Ag1 114.9(4) . . ?
N8 N7 C16 120.1(5) . . ?
C16 N7 Ag1 124.9(4) . . ?
N7 N8 Ag2 111.6(4) . . ?
N7 N8 C27 120.7(5) . . ?
C27 N8 Ag2 127.7(4) . . ?
N1 C1 C2 111.0(5) . . ?
N1 C1 C4 120.5(5) . . ?
C2 C1 C4 128.6(5) . . ?
C1 C2 H2 128.7 . . ?
C1 C2 C3 102.7(5) . . ?
C3 C2 H2 128.7 . . ?
N2 C3 C2 111.5(5) . . ?
N2 C3 C5 119.7(5) . . ?
C2 C3 C5 128.8(5) . . ?
F1 C4 F2 106.5(7) . . ?
F1 C4 F3 107.5(6) . . ?
F1 C4 C1 112.7(5) . . ?
F2 C4 C1 112.5(5) . . ?
F3 C4 F2 105.4(6) . . ?
F3 C4 C1 111.8(6) . . ?
F4 C5 C3 112.2(5) . . ?
F5 C5 F4 106.1(6) . . ?
F5 C5 F6 107.6(5) . . ?
F5 C5 C3 114.0(5) . . ?
F6 C5 F4 104.9(5) . . ?
F6 C5 C3 111.5(5) . . ?
N3 C6 C7 110.8(5) . . ?
N3 C6 C9 120.7(5) . . ?
C7 C6 C9 128.4(5) . . ?
C6 C7 H7 128.3 . . ?
C8 C7 C6 103.4(5) . . ?
C8 C7 H7 128.3 . . ?
N4 C8 C7 111.1(5) . . ?
N4 C8 C10 121.6(5) . . ?
C7 C8 C10 127.3(5) . . ?
F7 C9 C6 112.5(5) . . ?
F8 C9 F7 107.1(5) . . ?
F8 C9 F9 106.0(5) . . ?
F8 C9 C6 112.1(6) . . ?
F9 C9 F7 106.2(6) . . ?
F9 C9 C6 112.5(5) . . ?
F10 C10 C8 113.0(5) . . ?
F11 C10 F10 106.5(7) . . ?
F11 C10 F12 106.4(5) . . ?
F11 C10 C8 111.7(6) . . ?
F12 C10 F10 106.8(6) . . ?
F12 C10 C8 112.0(6) . . ?
N5 C11 C12 110.7(5) . . ?
N5 C11 C14 120.9(5) . . ?
C12 C11 C14 128.4(6) . . ?
C11 C12 H12 128.2 . . ?
C11 C12 C13 103.7(5) . . ?
C13 C12 H12 128.2 . . ?
N6 C13 C12 110.6(5) . . ?
N6 C13 C15 120.5(5) . . ?
C12 C13 C15 128.9(5) . . ?
F13 C14 C11 113.2(5) . . ?
F14 C14 F13 104.1(6) . . ?
F14 C14 F15 109.9(7) . . ?
F14 C14 C11 113.3(5) . . ?
F15 C14 F13 104.3(6) . . ?
F15 C14 C11 111.5(5) . . ?
F16 C15 F17 106.9(6) . . ?
F16 C15 F18 107.6(6) . . ?
F16 C15 C13 111.5(5) . . ?
F17 C15 C13 112.2(5) . . ?
F18 C15 F17 106.2(6) . . ?
F18 C15 C13 112.1(5) . . ?
N7 C16 C17 116.0(5) . . ?
N7 C16 C21 122.6(6) . . ?
C21 C16 C17 121.4(5) . . ?
C16 C17 H17 120.4 . . ?
C18 C17 C16 119.2(6) . . ?
C18 C17 H17 120.4 . . ?
C17 C18 H18 119.8 . . ?
C17 C18 C19 120.3(6) . . ?
C19 C18 H18 119.8 . . ?
C18 C19 H19 119.8 . . ?
C20 C19 C18 120.5(6) . . ?
C20 C19 H19 119.8 . . ?
C19 C20 H20 119.6 . . ?
C19 C20 C21 120.8(6) . . ?
C21 C20 H20 119.6 . . ?
C16 C21 C20 117.6(6) . . ?
C16 C21 C22 117.0(5) . . ?
C20 C21 C22 125.4(6) . . ?
C23 C22 C21 125.2(6) . . ?
C23 C22 C27 118.4(6) . . ?
C27 C22 C21 116.4(5) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 C22 120.5(6) . . ?
C24 C23 H23 119.7 . . ?
C23 C24 H24 119.3 . . ?
C23 C24 C25 121.4(6) . . ?
C25 C24 H24 119.3 . . ?
C24 C25 H25 120.3 . . ?
C26 C25 C24 119.4(6) . . ?
C26 C25 H25 120.3 . . ?
C25 C26 H26 119.8 . . ?
C25 C26 C27 120.4(6) . . ?
C27 C26 H26 119.8 . . ?
N8 C27 C22 123.1(6) . . ?
N8 C27 C26 117.0(6) . . ?
C22 C27 C26 119.9(6) . . ?
N9 Ag4 Ag5 62.03(14) . . ?
N9 Ag4 N14 152.77(19) . . ?
N9 Ag4 N15 108.59(18) . . ?
N14 Ag4 Ag5 120.72(13) . . ?
N14 Ag4 N15 96.31(18) . . ?
N15 Ag4 Ag5 68.34(12) . . ?
N10 Ag5 Ag4 62.67(14) . . ?
N10 Ag5 N11 155.83(18) . . ?
N10 Ag5 N16 106.50(17) . . ?
N11 Ag5 Ag4 122.04(13) . . ?
N11 Ag5 N16 95.75(17) . . ?
N16 Ag5 Ag4 64.20(12) . . ?
N13 Ag6 N12 178.3(2) . . ?
N10 N9 Ag4 118.0(3) . . ?
C28 N9 Ag4 133.9(4) . . ?
C28 N9 N10 107.8(5) . . ?
N9 N10 Ag5 117.2(3) . . ?
C30 N10 Ag5 135.6(4) . . ?
C30 N10 N9 107.2(5) . . ?
N12 N11 Ag5 116.5(3) . . ?
C33 N11 Ag5 135.2(4) . . ?
C33 N11 N12 108.0(5) . . ?
N11 N12 Ag6 121.0(4) . . ?
N11 N12 C35 107.7(5) . . ?
C35 N12 Ag6 131.3(4) . . ?
N14 N13 Ag6 121.2(4) . . ?
C38 N13 Ag6 131.0(4) . . ?
C38 N13 N14 107.7(5) . . ?
N13 N14 Ag4 117.2(4) . . ?
C40 N14 Ag4 135.5(4) . . ?
C40 N14 N13 107.3(5) . . ?
N16 N15 Ag4 111.1(4) . . ?
N16 N15 C43 121.3(5) . . ?
C43 N15 Ag4 127.5(4) . . ?
N15 N16 Ag5 116.3(3) . . ?
N15 N16 C54 119.7(5) . . ?
C54 N16 Ag5 123.4(4) . . ?
N9 C28 C29 110.9(5) . . ?
N9 C28 C31 120.2(5) . . ?
C29 C28 C31 128.9(5) . . ?
C28 C29 H29 128.5 . . ?
C30 C29 C28 103.1(5) . . ?
C30 C29 H29 128.5 . . ?
N10 C30 C29 111.0(5) . . ?
N10 C30 C32 120.4(5) . . ?
C29 C30 C32 128.2(5) . . ?
F19 C31 C28 112.2(5) . . ?
F20 C31 F19 106.6(6) . . ?
F20 C31 F21 106.3(5) . . ?
F20 C31 C28 113.5(5) . . ?
F21 C31 F19 106.3(5) . . ?
F21 C31 C28 111.4(5) . . ?
F22 C32 F24 105.3(5) . . ?
F22 C32 C30 111.6(5) . . ?
F23 C32 F22 107.8(5) . . ?
F23 C32 F24 105.5(5) . . ?
F23 C32 C30 114.0(5) . . ?
F24 C32 C30 112.2(5) . . ?
N11 C33 C34 110.4(5) . . ?
N11 C33 C36 121.5(6) . . ?
C34 C33 C36 127.9(6) . . ?
C33 C34 H34 128.4 . . ?
C35 C34 C33 103.1(5) . . ?
C35 C34 H34 128.4 . . ?
N12 C35 C34 110.7(5) . . ?
N12 C35 C37 121.1(6) . . ?
C34 C35 C37 128.1(5) . . ?
F25 C36 F27 105.8(6) . . ?
F25 C36 C33 112.7(5) . . ?
F26 C36 F25 107.4(6) . . ?
F26 C36 F27 106.5(5) . . ?
F26 C36 C33 111.7(6) . . ?
F27 C36 C33 112.3(5) . . ?
F28 C37 C35 112.5(5) . . ?
F29 C37 F28 108.0(6) . . ?
F29 C37 C35 110.5(6) . . ?
F30 C37 F28 106.2(6) . . ?
F30 C37 F29 107.0(6) . . ?
F30 C37 C35 112.4(5) . . ?
N13 C38 C39 111.2(6) . . ?
N13 C38 C41 120.6(6) . . ?
C39 C38 C41 128.2(6) . . ?
C38 C39 H39 128.4 . . ?
C38 C39 C40 103.2(6) . . ?
C40 C39 H39 128.4 . . ?
N14 C40 C39 110.6(5) . . ?
N14 C40 C42 120.4(6) . . ?
C39 C40 C42 129.1(6) . . ?
F31 C41 C38 112.5(6) . . ?
F32 C41 F31 105.2(6) . . ?
F32 C41 C38 112.6(6) . . ?
F33 C41 F31 107.1(7) . . ?
F33 C41 F32 106.9(7) . . ?
F33 C41 C38 111.9(6) . . ?
F34 C42 F35 105.0(6) . . ?
F34 C42 F36 107.0(7) . . ?
F34 C42 C40 112.5(6) . . ?
F35 C42 C40 112.6(6) . . ?
F36 C42 F35 106.8(8) . . ?
F36 C42 C40 112.4(6) . . ?
N15 C43 C44 116.8(6) . . ?
N15 C43 C48 122.6(5) . . ?
C48 C43 C44 120.6(6) . . ?
C43 C44 H44 120.5 . . ?
C45 C44 C43 119.0(6) . . ?
C45 C44 H44 120.5 . . ?
C44 C45 H45 120.0 . . ?
C44 C45 C46 120.0(6) . . ?
C46 C45 H45 120.0 . . ?
C45 C46 H46 119.2 . . ?
C47 C46 C45 121.6(6) . . ?
C47 C46 H46 119.2 . . ?
C46 C47 H47 120.0 . . ?
C46 C47 C48 120.0(6) . . ?
C48 C47 H47 120.0 . . ?
C43 C48 C47 118.7(6) . . ?
C43 C48 C49 116.8(5) . . ?
C47 C48 C49 124.5(6) . . ?
C50 C49 C48 125.4(6) . . ?
C54 C49 C48 116.9(5) . . ?
C54 C49 C50 117.7(6) . . ?
C49 C50 H50 119.6 . . ?
C51 C50 C49 120.7(6) . . ?
C51 C50 H50 119.6 . . ?
C50 C51 H51 119.3 . . ?
C50 C51 C52 121.3(6) . . ?
C52 C51 H51 119.3 . . ?
C51 C52 H52 120.6 . . ?
C53 C52 C51 118.8(6) . . ?
C53 C52 H52 120.6 . . ?
C52 C53 H53 119.9 . . ?
C52 C53 C54 120.1(6) . . ?
C54 C53 H53 119.9 . . ?
N16 C54 C49 122.7(6) . . ?
N16 C54 C53 116.1(5) . . ?
C53 C54 C49 121.2(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 Ag2 3.3091(12) . ?
Ag1 N1 2.138(5) . ?
Ag1 N6 2.147(5) . ?
Ag1 N7 2.548(5) . ?
Ag2 N2 2.132(5) . ?
Ag2 N3 2.143(5) . ?
Ag2 N8 2.569(5) . ?
Ag3 N4 2.095(5) . ?
Ag3 N5 2.091(5) . ?
F1 C4 1.316(8) . ?
F2 C4 1.331(9) . ?
F3 C4 1.324(8) . ?
F4 C5 1.354(8) . ?
F5 C5 1.331(7) . ?
F6 C5 1.351(7) . ?
F7 C9 1.336(7) . ?
F8 C9 1.330(8) . ?
F9 C9 1.334(7) . ?
F10 C10 1.339(8) . ?
F11 C10 1.332(9) . ?
F12 C10 1.335(8) . ?
F13 C14 1.332(8) . ?
F14 C14 1.304(8) . ?
F15 C14 1.321(8) . ?
F16 C15 1.315(7) . ?
F17 C15 1.340(8) . ?
F18 C15 1.323(8) . ?
N1 N2 1.356(7) . ?
N1 C1 1.348(8) . ?
N2 C3 1.334(7) . ?
N3 N4 1.358(7) . ?
N3 C6 1.353(7) . ?
N4 C8 1.361(7) . ?
N5 N6 1.371(7) . ?
N5 C11 1.349(8) . ?
N6 C13 1.356(7) . ?
N7 N8 1.291(7) . ?
N7 C16 1.402(7) . ?
N8 C27 1.382(8) . ?
C1 C2 1.380(8) . ?
C1 C4 1.484(8) . ?
C2 H2 0.9500 . ?
C2 C3 1.387(8) . ?
C3 C5 1.487(8) . ?
C6 C7 1.388(8) . ?
C6 C9 1.492(9) . ?
C7 H7 0.9500 . ?
C7 C8 1.374(8) . ?
C8 C10 1.489(9) . ?
C11 C12 1.387(8) . ?
C11 C14 1.481(8) . ?
C12 H12 0.9500 . ?
C12 C13 1.391(8) . ?
C13 C15 1.493(8) . ?
C16 C17 1.416(9) . ?
C16 C21 1.412(8) . ?
C17 H17 0.9500 . ?
C17 C18 1.378(9) . ?
C18 H18 0.9500 . ?
C18 C19 1.411(9) . ?
C19 H19 0.9500 . ?
C19 C20 1.383(10) . ?
C20 H20 0.9500 . ?
C20 C21 1.418(8) . ?
C21 C22 1.427(9) . ?
C22 C23 1.405(9) . ?
C22 C27 1.419(8) . ?
C23 H23 0.9500 . ?
C23 C24 1.366(10) . ?
C24 H24 0.9500 . ?
C24 C25 1.414(10) . ?
C25 H25 0.9500 . ?
C25 C26 1.361(10) . ?
C26 H26 0.9500 . ?
C26 C27 1.420(9) . ?
Ag4 Ag5 3.3462(12) . ?
Ag4 N9 2.151(5) . ?
Ag4 N14 2.162(5) . ?
Ag4 N15 2.501(5) . ?
Ag5 N10 2.140(5) . ?
Ag5 N11 2.161(5) . ?
Ag5 N16 2.568(5) . ?
Ag6 N12 2.088(5) . ?
Ag6 N13 2.088(5) . ?
F19 C31 1.344(8) . ?
F20 C31 1.341(8) . ?
F21 C31 1.344(7) . ?
F22 C32 1.348(7) . ?
F23 C32 1.327(7) . ?
F24 C32 1.365(7) . ?
F25 C36 1.341(9) . ?
F26 C36 1.333(8) . ?
F27 C36 1.351(7) . ?
F28 C37 1.332(8) . ?
F29 C37 1.329(8) . ?
F30 C37 1.322(8) . ?
F31 C41 1.340(9) . ?
F32 C41 1.322(9) . ?
F33 C41 1.318(8) . ?
F34 C42 1.317(8) . ?
F35 C42 1.341(10) . ?
F36 C42 1.328(10) . ?
N9 N10 1.356(7) . ?
N9 C28 1.340(7) . ?
N10 C30 1.345(7) . ?
N11 N12 1.356(7) . ?
N11 C33 1.348(7) . ?
N12 C35 1.358(7) . ?
N13 N14 1.361(7) . ?
N13 C38 1.336(8) . ?
N14 C40 1.352(8) . ?
N15 N16 1.306(8) . ?
N15 C43 1.381(8) . ?
N16 C54 1.391(7) . ?
C28 C29 1.381(9) . ?
C28 C31 1.483(9) . ?
C29 H29 0.9500 . ?
C29 C30 1.381(8) . ?
C30 C32 1.486(9) . ?
C33 C34 1.405(8) . ?
C33 C36 1.482(9) . ?
C34 H34 0.9500 . ?
C34 C35 1.385(9) . ?
C35 C37 1.498(9) . ?
C38 C39 1.381(9) . ?
C38 C41 1.495(9) . ?
C39 H39 0.9500 . ?
C39 C40 1.386(9) . ?
C40 C42 1.479(9) . ?
C43 C44 1.416(9) . ?
C43 C48 1.408(8) . ?
C44 H44 0.9500 . ?
C44 C45 1.386(9) . ?
C45 H45 0.9500 . ?
C45 C46 1.406(10) . ?
C46 H46 0.9500 . ?
C46 C47 1.357(10) . ?
C47 H47 0.9500 . ?
C47 C48 1.419(9) . ?
C48 C49 1.437(9) . ?
C49 C50 1.425(8) . ?
C49 C54 1.416(8) . ?
C50 H50 0.9500 . ?
C50 C51 1.357(10) . ?
C51 H51 0.9500 . ?
C51 C52 1.439(10) . ?
C52 H52 0.9500 . ?
C52 C53 1.377(9) . ?
C53 H53 0.9500 . ?
C53 C54 1.408(9) . ?
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.534(19)
2 0.466(19)
