#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:17:52 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180386 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/55/7205511.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_7205511
loop_
_publ_author_name
'Fenton, Hazel'
'Tidmarsh, Ian S.'
'Ward, Michael D.'
_publ_section_title
;
 Luminescent silver(i) coordination networks based on
 bis-(3,5-dimethylpyrazolyl)naphthalene ligands
;
_journal_issue                   5
_journal_name_full               CrystEngComm
_journal_page_first              1432
_journal_paper_doi               10.1039/c0ce00690d
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C74 H81 Ag2 F6 N15 O6 S2'
_chemical_formula_weight         1670.40
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.109(9)
_cell_angle_beta                 104.197(8)
_cell_angle_gamma                99.937(8)
_cell_formula_units_Z            1
_cell_length_a                   8.8647(12)
_cell_length_b                   14.487(2)
_cell_length_c                   14.955(2)
_cell_measurement_reflns_used    4244
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.0915
_cell_measurement_theta_min      2.4635
_cell_volume                     1827.7(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0418
_diffrn_reflns_av_sigmaI/netI    0.0629
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            19203
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.41
_exptl_absorpt_coefficient_mu    0.672
_exptl_absorpt_correction_T_max  0.9933
_exptl_absorpt_correction_T_min  0.9358
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             858
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.079
_refine_diff_density_min         -0.781
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     475
_refine_ls_number_reflns         7468
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0695
_refine_ls_R_factor_gt           0.0426
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0376P)²+1.6078P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0862
_refine_ls_wR_factor_ref         0.0958
_reflns_number_gt                5570
_reflns_number_total             7468
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0CE00690D.TXT
_cod_data_source_block           imw1170p-1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        1827.6(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7205511
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.90160(3) 0.750277(19) 0.738497(19) 0.02588(9) Uani 1 1 d . . .
N111 N 0.7579(3) 0.94347(19) 0.70694(18) 0.0214(6) Uani 1 1 d . . .
N112 N 0.7463(3) 0.85231(19) 0.67681(19) 0.0240(6) Uani 1 1 d . . .
C113 C 0.6156(4) 0.8322(2) 0.6068(2) 0.0250(8) Uani 1 1 d . . .
C114 C 0.5455(4) 0.9109(3) 0.5925(2) 0.0269(8) Uani 1 1 d . . .
H114 H 0.4517 0.9152 0.5470 0.032 Uiso 1 1 calc R . .
C115 C 0.6379(4) 0.9813(2) 0.6566(2) 0.0225(7) Uani 1 1 d . . .
C116 C 0.5670(4) 0.7364(3) 0.5567(3) 0.0341(9) Uani 1 1 d . . .
H11A H 0.6595 0.7060 0.5647 0.051 Uiso 1 1 calc R . .
H11B H 0.5227 0.7417 0.4907 0.051 Uiso 1 1 calc R . .
H11C H 0.4868 0.6985 0.5820 0.051 Uiso 1 1 calc R . .
C117 C 0.6237(5) 1.0805(3) 0.6718(3) 0.0327(9) Uani 1 1 d . . .
H11D H 0.5910 1.0892 0.7291 0.049 Uiso 1 1 calc R . .
H11E H 0.5444 1.0967 0.6196 0.049 Uiso 1 1 calc R . .
H11F H 0.7263 1.1213 0.6768 0.049 Uiso 1 1 calc R . .
C118 C 0.8922(4) 0.9893(2) 0.7813(2) 0.0239(8) Uani 1 1 d . . .
H11G H 0.9028 1.0582 0.7787 0.029 Uiso 1 1 calc R . .
H11H H 0.9898 0.9716 0.7706 0.029 Uiso 1 1 calc R . .
C121 C 0.8805(4) 0.9650(2) 0.8773(2) 0.0205(7) Uani 1 1 d . . .
C122 C 0.7606(4) 0.8985(2) 0.8914(2) 0.0223(7) Uani 1 1 d . . .
H122 H 0.6783 0.8688 0.8398 0.027 Uiso 1 1 calc R . .
C123 C 1.0019(4) 1.0122(2) 0.9547(2) 0.0193(7) Uani 1 1 d . . .
C131 C 1.2427(4) 1.1268(2) 1.0192(2) 0.0235(8) Uani 1 1 d . . .
H131 H 1.3255 1.1743 1.0110 0.028 Uiso 1 1 calc R . .
C132 C 1.1279(4) 1.0835(2) 0.9443(2) 0.0223(7) Uani 1 1 d . . .
H132 H 1.1316 1.1010 0.8842 0.027 Uiso 1 1 calc R . .
N211 N 1.1561(3) 0.78728(18) 0.93814(18) 0.0195(6) Uani 1 1 d . . .
N212 N 1.1314(3) 0.8011(2) 0.84648(19) 0.0233(6) Uani 1 1 d . . .
C213 C 1.2589(4) 0.8636(2) 0.8405(2) 0.0253(8) Uani 1 1 d . . .
C214 C 1.3628(4) 0.8879(2) 0.9268(2) 0.0273(8) Uani 1 1 d . . .
H214 H 1.4613 0.9306 0.9409 0.033 Uiso 1 1 calc R . .
C215 C 1.2961(4) 0.8386(2) 0.9873(2) 0.0250(8) Uani 1 1 d . . .
C216 C 1.2777(5) 0.8957(3) 0.7498(3) 0.0412(10) Uani 1 1 d . . .
H21A H 1.3426 0.8578 0.7256 0.062 Uiso 1 1 calc R . .
H21B H 1.3296 0.9620 0.7580 0.062 Uiso 1 1 calc R . .
H21C H 1.1733 0.8884 0.7060 0.062 Uiso 1 1 calc R . .
C217 C 1.3547(5) 0.8349(3) 1.0886(3) 0.0403(10) Uani 1 1 d . . .
H21D H 1.2697 0.8409 1.1184 0.060 Uiso 1 1 calc R . .
H21E H 1.4447 0.8865 1.1130 0.060 Uiso 1 1 calc R . .
H21F H 1.3886 0.7747 1.1013 0.060 Uiso 1 1 calc R . .
C218 C 1.0446(4) 0.7178(2) 0.9692(2) 0.0209(7) Uani 1 1 d . . .
H21G H 0.9372 0.7150 0.9284 0.025 Uiso 1 1 calc R . .
H21H H 1.0426 0.7386 1.0326 0.025 Uiso 1 1 calc R . .
C221 C 1.0834(4) 0.6205(2) 0.9694(2) 0.0194(7) Uani 1 1 d . . .
C222 C 0.9825(4) 0.5461(2) 1.0004(2) 0.0177(7) Uani 1 1 d . . .
C223 C 1.2094(4) 0.6009(2) 0.9406(2) 0.0236(8) Uani 1 1 d . . .
H223 H 1.2763 0.6499 0.9206 0.028 Uiso 1 1 calc R . .
C231 C 0.7571(4) 0.4901(2) 1.0601(2) 0.0244(8) Uani 1 1 d . . .
H231 H 0.6685 0.5018 1.0807 0.029 Uiso 1 1 calc R . .
C232 C 0.8507(4) 0.5623(2) 1.0315(2) 0.0219(7) Uani 1 1 d . . .
H232 H 0.8268 0.6237 1.0326 0.026 Uiso 1 1 calc R . .
N311 N 0.8349(3) 0.52586(19) 0.74803(19) 0.0217(6) Uani 1 1 d . . .
N312 N 0.7756(3) 0.60485(19) 0.75771(19) 0.0222(6) Uani 1 1 d . . .
C313 C 0.6446(4) 0.5767(2) 0.7860(2) 0.0248(8) Uani 1 1 d . . .
C314 C 0.6198(4) 0.4797(2) 0.7930(2) 0.0266(8) Uani 1 1 d . . .
H314 H 0.5350 0.4427 0.8115 0.032 Uiso 1 1 calc R . .
C315 C 0.7419(4) 0.4485(2) 0.7680(2) 0.0233(8) Uani 1 1 d . . .
C316 C 0.5493(4) 0.6454(3) 0.8081(3) 0.0334(9) Uani 1 1 d . . .
H31A H 0.5766 0.6607 0.8752 0.050 Uiso 1 1 calc R . .
H31B H 0.4363 0.6178 0.7863 0.050 Uiso 1 1 calc R . .
H31C H 0.5721 0.7028 0.7773 0.050 Uiso 1 1 calc R . .
C317 C 0.7806(4) 0.3536(2) 0.7610(3) 0.0323(9) Uani 1 1 d . . .
H31D H 0.7688 0.3337 0.6960 0.048 Uiso 1 1 calc R . .
H31E H 0.7085 0.3091 0.7863 0.048 Uiso 1 1 calc R . .
H31F H 0.8900 0.3552 0.7963 0.048 Uiso 1 1 calc R . .
C318 C 0.9660(4) 0.5281(2) 0.7053(2) 0.0213(7) Uani 1 1 d . . .
H31G H 1.0258 0.4786 0.7291 0.026 Uiso 1 1 calc R . .
H31H H 1.0386 0.5896 0.7231 0.026 Uiso 1 1 calc R . .
C321 C 0.9117(4) 0.5131(2) 0.6008(2) 0.0195(7) Uani 1 1 d . . .
C322 C 1.0249(4) 0.5060(2) 0.5492(2) 0.0175(7) Uani 1 1 d . . .
C323 C 0.7554(4) 0.5083(2) 0.5550(2) 0.0218(7) Uani 1 1 d . . .
H323 H 0.6797 0.5124 0.5895 0.026 Uiso 1 1 calc R . .
C331 C 1.2936(4) 0.5026(2) 0.5415(2) 0.0232(8) Uani 1 1 d . . .
H331 H 1.4019 0.5051 0.5719 0.028 Uiso 1 1 calc R . .
C332 C 1.1881(4) 0.5097(2) 0.5927(2) 0.0217(7) Uani 1 1 d . . .
H332 H 1.2237 0.5173 0.6583 0.026 Uiso 1 1 calc R . .
N411 N 0.9997(4) 0.7383(2) 0.5990(2) 0.0414(9) Uani 1 1 d . . .
C412 C 1.0546(4) 0.7330(2) 0.5378(3) 0.0300(8) Uani 1 1 d . . .
C413 C 1.1260(4) 0.7253(3) 0.4617(3) 0.0319(9) Uani 1 1 d . . .
H41A H 1.1821 0.7874 0.4530 0.048 Uiso 1 1 calc R . .
H41B H 1.0433 0.7011 0.4052 0.048 Uiso 1 1 calc R . .
H41C H 1.2010 0.6822 0.4752 0.048 Uiso 1 1 calc R . .
S1 S 0.19389(11) 0.27184(7) 0.77293(7) 0.0309(2) Uani 1 1 d . . .
F1 F 0.1887(3) 0.1998(2) 0.60891(18) 0.0643(8) Uani 1 1 d . . .
F2 F 0.4206(3) 0.25090(19) 0.69487(18) 0.0548(7) Uani 1 1 d . . .
F3 F 0.2850(3) 0.12175(17) 0.7217(2) 0.0638(8) Uani 1 1 d . . .
O1 O 0.0408(3) 0.2130(2) 0.7644(2) 0.0516(8) Uani 1 1 d . . .
O2 O 0.1870(3) 0.35993(17) 0.73436(18) 0.0331(6) Uani 1 1 d . . .
O3 O 0.3078(3) 0.2754(2) 0.86054(18) 0.0436(7) Uani 1 1 d . . .
C1 C 0.2763(5) 0.2092(3) 0.6963(3) 0.0413(10) Uani 1 1 d . . .
N1S N 0.8294(9) 0.0404(5) 0.5063(5) 0.0504(19) Uiso 0.50 1 d P . .
C1S C 0.9284(6) 0.0141(4) 0.5068(4) 0.0663(15) Uiso 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'
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'
F F 0.0171 0.0103 '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
N212 Ag1 N112 120.76(10) . . ?
N212 Ag1 N312 113.79(10) . . ?
N112 Ag1 N312 116.61(10) . . ?
N212 Ag1 N411 100.49(11) . . ?
N112 Ag1 N411 91.99(11) . . ?
N312 Ag1 N411 107.86(11) . . ?
C115 N111 N112 111.4(3) . . ?
C115 N111 C118 128.4(3) . . ?
N112 N111 C118 120.1(3) . . ?
C113 N112 N111 105.9(3) . . ?
C113 N112 Ag1 126.2(2) . . ?
N111 N112 Ag1 127.7(2) . . ?
N112 C113 C114 109.8(3) . . ?
N112 C113 C116 120.2(3) . . ?
C114 C113 C116 130.1(3) . . ?
C115 C114 C113 106.9(3) . . ?
C115 C114 H114 126.6 . . ?
C113 C114 H114 126.6 . . ?
N111 C115 C114 106.0(3) . . ?
N111 C115 C117 123.2(3) . . ?
C114 C115 C117 130.7(3) . . ?
C113 C116 H11A 109.5 . . ?
C113 C116 H11B 109.5 . . ?
H11A C116 H11B 109.5 . . ?
C113 C116 H11C 109.5 . . ?
H11A C116 H11C 109.5 . . ?
H11B C116 H11C 109.5 . . ?
C115 C117 H11D 109.5 . . ?
C115 C117 H11E 109.5 . . ?
H11D C117 H11E 109.5 . . ?
C115 C117 H11F 109.5 . . ?
H11D C117 H11F 109.5 . . ?
H11E C117 H11F 109.5 . . ?
N111 C118 C121 114.4(3) . . ?
N111 C118 H11G 108.7 . . ?
C121 C118 H11G 108.7 . . ?
N111 C118 H11H 108.7 . . ?
C121 C118 H11H 108.7 . . ?
H11G C118 H11H 107.6 . . ?
C122 C121 C123 119.8(3) . . ?
C122 C121 C118 122.2(3) . . ?
C123 C121 C118 118.0(3) . . ?
C121 C122 C131 121.2(3) . 2_777 ?
C121 C122 H122 119.4 . . ?
C131 C122 H122 119.4 2_777 . ?
C123 C123 C132 118.5(4) 2_777 . ?
C123 C123 C121 119.3(4) 2_777 . ?
C132 C123 C121 122.2(3) . . ?
C132 C131 C122 120.2(3) . 2_777 ?
C132 C131 H131 119.9 . . ?
C122 C131 H131 119.9 2_777 . ?
C131 C132 C123 121.0(3) . . ?
C131 C132 H132 119.5 . . ?
C123 C132 H132 119.5 . . ?
C215 N211 N212 110.9(3) . . ?
C215 N211 C218 129.0(3) . . ?
N212 N211 C218 119.8(3) . . ?
C213 N212 N211 105.0(3) . . ?
C213 N212 Ag1 129.0(2) . . ?
N211 N212 Ag1 124.94(19) . . ?
N212 C213 C214 110.6(3) . . ?
N212 C213 C216 121.3(3) . . ?
C214 C213 C216 128.0(3) . . ?
C215 C214 C213 106.3(3) . . ?
C215 C214 H214 126.9 . . ?
C213 C214 H214 126.9 . . ?
N211 C215 C214 107.3(3) . . ?
N211 C215 C217 122.2(3) . . ?
C214 C215 C217 130.5(3) . . ?
C213 C216 H21A 109.5 . . ?
C213 C216 H21B 109.5 . . ?
H21A C216 H21B 109.5 . . ?
C213 C216 H21C 109.5 . . ?
H21A C216 H21C 109.5 . . ?
H21B C216 H21C 109.5 . . ?
C215 C217 H21D 109.5 . . ?
C215 C217 H21E 109.5 . . ?
H21D C217 H21E 109.5 . . ?
C215 C217 H21F 109.5 . . ?
H21D C217 H21F 109.5 . . ?
H21E C217 H21F 109.5 . . ?
N211 C218 C221 113.8(3) . . ?
N211 C218 H21G 108.8 . . ?
C221 C218 H21G 108.8 . . ?
N211 C218 H21H 108.8 . . ?
C221 C218 H21H 108.8 . . ?
H21G C218 H21H 107.7 . . ?
C223 C221 C222 119.3(3) . . ?
C223 C221 C218 122.0(3) . . ?
C222 C221 C218 118.7(3) . . ?
C232 C222 C222 119.1(4) . 2_767 ?
C232 C222 C221 121.9(3) . . ?
C222 C222 C221 119.0(4) 2_767 . ?
C221 C223 C231 121.5(3) . 2_767 ?
C221 C223 H223 119.3 . . ?
C231 C223 H223 119.3 2_767 . ?
C232 C231 C223 120.7(3) . 2_767 ?
C232 C231 H231 119.6 . . ?
C223 C231 H231 119.6 2_767 . ?
C231 C232 C222 120.4(3) . . ?
C231 C232 H232 119.8 . . ?
C222 C232 H232 119.8 . . ?
N312 N311 C315 111.7(3) . . ?
N312 N311 C318 120.1(3) . . ?
C315 N311 C318 127.2(3) . . ?
C313 N312 N311 105.3(3) . . ?
C313 N312 Ag1 131.6(2) . . ?
N311 N312 Ag1 123.0(2) . . ?
N312 C313 C314 110.5(3) . . ?
N312 C313 C316 121.1(3) . . ?
C314 C313 C316 128.5(3) . . ?
C315 C314 C313 106.3(3) . . ?
C315 C314 H314 126.8 . . ?
C313 C314 H314 126.8 . . ?
N311 C315 C314 106.2(3) . . ?
N311 C315 C317 121.9(3) . . ?
C314 C315 C317 131.9(3) . . ?
C313 C316 H31A 109.5 . . ?
C313 C316 H31B 109.5 . . ?
H31A C316 H31B 109.5 . . ?
C313 C316 H31C 109.5 . . ?
H31A C316 H31C 109.5 . . ?
H31B C316 H31C 109.5 . . ?
C315 C317 H31D 109.5 . . ?
C315 C317 H31E 109.5 . . ?
H31D C317 H31E 109.5 . . ?
C315 C317 H31F 109.5 . . ?
H31D C317 H31F 109.5 . . ?
H31E C317 H31F 109.5 . . ?
N311 C318 C321 112.6(3) . . ?
N311 C318 H31G 109.1 . . ?
C321 C318 H31G 109.1 . . ?
N311 C318 H31H 109.1 . . ?
C321 C318 H31H 109.1 . . ?
H31G C318 H31H 107.8 . . ?
C323 C321 C322 119.6(3) . . ?
C323 C321 C318 121.0(3) . . ?
C322 C321 C318 119.4(3) . . ?
C321 C322 C322 119.6(4) . 2_766 ?
C321 C322 C332 122.2(3) . . ?
C322 C322 C332 118.2(4) 2_766 . ?
C321 C323 C331 120.9(3) . 2_766 ?
C321 C323 H323 119.5 . . ?
C331 C323 H323 119.5 2_766 . ?
C332 C331 C323 120.8(3) . 2_766 ?
C332 C331 H331 119.6 . . ?
C323 C331 H331 119.6 2_766 . ?
C331 C332 C322 120.8(3) . . ?
C331 C332 H332 119.6 . . ?
C322 C332 H332 119.6 . . ?
C412 N411 Ag1 175.7(3) . . ?
N411 C412 C413 178.9(4) . . ?
C412 C413 H41A 109.5 . . ?
C412 C413 H41B 109.5 . . ?
H41A C413 H41B 109.5 . . ?
C412 C413 H41C 109.5 . . ?
H41A C413 H41C 109.5 . . ?
H41B C413 H41C 109.5 . . ?
O2 S1 O3 115.20(17) . . ?
O2 S1 O1 114.29(17) . . ?
O3 S1 O1 115.99(18) . . ?
O2 S1 C1 103.34(18) . . ?
O3 S1 C1 102.61(18) . . ?
O1 S1 C1 102.79(19) . . ?
F2 C1 F1 106.6(4) . . ?
F2 C1 F3 107.3(3) . . ?
F1 C1 F3 106.6(3) . . ?
F2 C1 S1 112.8(3) . . ?
F1 C1 S1 112.4(3) . . ?
F3 C1 S1 110.7(3) . . ?
N1S C1S C1S 169.7(9) . 2_756 ?
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 N212 2.254(3) . ?
Ag1 N112 2.261(3) . ?
Ag1 N312 2.271(3) . ?
Ag1 N411 2.461(4) . ?
N111 C115 1.355(4) . ?
N111 N112 1.358(4) . ?
N111 C118 1.455(4) . ?
N112 C113 1.338(4) . ?
C113 C114 1.389(5) . ?
C113 C116 1.494(5) . ?
C114 C115 1.373(5) . ?
C114 H114 0.9500 . ?
C115 C117 1.478(5) . ?
C116 H11A 0.9800 . ?
C116 H11B 0.9800 . ?
C116 H11C 0.9800 . ?
C117 H11D 0.9800 . ?
C117 H11E 0.9800 . ?
C117 H11F 0.9800 . ?
C118 C121 1.514(4) . ?
C118 H11G 0.9900 . ?
C118 H11H 0.9900 . ?
C121 C122 1.369(5) . ?
C121 C123 1.430(4) . ?
C122 C131 1.405(5) 2_777 ?
C122 H122 0.9500 . ?
C123 C123 1.419(6) 2_777 ?
C123 C132 1.427(4) . ?
C131 C132 1.362(4) . ?
C131 C122 1.405(5) 2_777 ?
C131 H131 0.9500 . ?
C132 H132 0.9500 . ?
N211 C215 1.352(4) . ?
N211 N212 1.362(4) . ?
N211 C218 1.457(4) . ?
N212 C213 1.344(4) . ?
C213 C214 1.382(5) . ?
C213 C216 1.488(5) . ?
C214 C215 1.358(5) . ?
C214 H214 0.9500 . ?
C215 C217 1.482(5) . ?
C216 H21A 0.9800 . ?
C216 H21B 0.9800 . ?
C216 H21C 0.9800 . ?
C217 H21D 0.9800 . ?
C217 H21E 0.9800 . ?
C217 H21F 0.9800 . ?
C218 C221 1.506(5) . ?
C218 H21G 0.9900 . ?
C218 H21H 0.9900 . ?
C221 C223 1.361(5) . ?
C221 C222 1.444(4) . ?
C222 C232 1.411(4) . ?
C222 C222 1.423(6) 2_767 ?
C223 C231 1.400(5) 2_767 ?
C223 H223 0.9500 . ?
C231 C232 1.369(5) . ?
C231 C223 1.400(5) 2_767 ?
C231 H231 0.9500 . ?
C232 H232 0.9500 . ?
N311 N312 1.356(4) . ?
N311 C315 1.360(4) . ?
N311 C318 1.454(4) . ?
N312 C313 1.336(4) . ?
C313 C314 1.396(5) . ?
C313 C316 1.489(5) . ?
C314 C315 1.367(5) . ?
C314 H314 0.9500 . ?
C315 C317 1.479(5) . ?
C316 H31A 0.9800 . ?
C316 H31B 0.9800 . ?
C316 H31C 0.9800 . ?
C317 H31D 0.9800 . ?
C317 H31E 0.9800 . ?
C317 H31F 0.9800 . ?
C318 C321 1.514(4) . ?
C318 H31G 0.9900 . ?
C318 H31H 0.9900 . ?
C321 C323 1.375(4) . ?
C321 C322 1.422(4) . ?
C322 C322 1.423(6) 2_766 ?
C322 C332 1.424(4) . ?
C323 C331 1.396(5) 2_766 ?
C323 H323 0.9500 . ?
C331 C332 1.359(5) . ?
C331 C323 1.396(5) 2_766 ?
C331 H331 0.9500 . ?
C332 H332 0.9500 . ?
N411 C412 1.143(5) . ?
C412 C413 1.441(5) . ?
C413 H41A 0.9800 . ?
C413 H41B 0.9800 . ?
C413 H41C 0.9800 . ?
S1 O2 1.424(3) . ?
S1 O3 1.438(3) . ?
S1 O1 1.446(3) . ?
S1 C1 1.798(4) . ?
F1 C1 1.335(4) . ?
F2 C1 1.323(5) . ?
F3 C1 1.346(5) . ?
N1S C1S 1.014(8) . ?
C1S C1S 1.455(11) 2_756 ?
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
C115 N111 N112 C113 -0.6(4) . . . . ?
C118 N111 N112 C113 -177.6(3) . . . . ?
C115 N111 N112 Ag1 -175.8(2) . . . . ?
C118 N111 N112 Ag1 7.2(4) . . . . ?
N212 Ag1 N112 C113 173.5(3) . . . . ?
N312 Ag1 N112 C113 -41.1(3) . . . . ?
N411 Ag1 N112 C113 70.0(3) . . . . ?
N212 Ag1 N112 N111 -12.2(3) . . . . ?
N312 Ag1 N112 N111 133.2(3) . . . . ?
N411 Ag1 N112 N111 -115.7(3) . . . . ?
N111 N112 C113 C114 0.4(4) . . . . ?
Ag1 N112 C113 C114 175.7(2) . . . . ?
N111 N112 C113 C116 179.8(3) . . . . ?
Ag1 N112 C113 C116 -4.9(5) . . . . ?
N112 C113 C114 C115 0.0(4) . . . . ?
C116 C113 C114 C115 -179.4(4) . . . . ?
N112 N111 C115 C114 0.6(4) . . . . ?
C118 N111 C115 C114 177.2(3) . . . . ?
N112 N111 C115 C117 -177.7(3) . . . . ?
C118 N111 C115 C117 -1.0(5) . . . . ?
C113 C114 C115 N111 -0.3(4) . . . . ?
C113 C114 C115 C117 177.7(4) . . . . ?
C115 N111 C118 C121 104.7(4) . . . . ?
N112 N111 C118 C121 -78.9(4) . . . . ?
N111 C118 C121 C122 6.1(5) . . . . ?
N111 C118 C121 C123 -175.6(3) . . . . ?
C123 C121 C122 C131 -2.1(5) . . . 2_777 ?
C118 C121 C122 C131 176.2(3) . . . 2_777 ?
C122 C121 C123 C123 1.3(6) . . . 2_777 ?
C118 C121 C123 C123 -177.1(4) . . . 2_777 ?
C122 C121 C123 C132 -178.7(3) . . . . ?
C118 C121 C123 C132 3.0(5) . . . . ?
C122 C131 C132 C123 0.3(5) 2_777 . . . ?
C123 C123 C132 C131 0.5(6) 2_777 . . . ?
C121 C123 C132 C131 -179.5(3) . . . . ?
C215 N211 N212 C213 -1.0(4) . . . . ?
C218 N211 N212 C213 -175.8(3) . . . . ?
C215 N211 N212 Ag1 -170.1(2) . . . . ?
C218 N211 N212 Ag1 15.1(4) . . . . ?
N112 Ag1 N212 C213 -59.4(3) . . . . ?
N312 Ag1 N212 C213 154.3(3) . . . . ?
N411 Ag1 N212 C213 39.3(3) . . . . ?
N112 Ag1 N212 N211 107.0(3) . . . . ?
N312 Ag1 N212 N211 -39.3(3) . . . . ?
N411 Ag1 N212 N211 -154.3(2) . . . . ?
N211 N212 C213 C214 0.6(4) . . . . ?
Ag1 N212 C213 C214 169.1(2) . . . . ?
N211 N212 C213 C216 178.7(3) . . . . ?
Ag1 N212 C213 C216 -12.8(5) . . . . ?
N212 C213 C214 C215 -0.1(4) . . . . ?
C216 C213 C214 C215 -178.0(4) . . . . ?
N212 N211 C215 C214 0.9(4) . . . . ?
C218 N211 C215 C214 175.1(3) . . . . ?
N212 N211 C215 C217 -178.4(3) . . . . ?
C218 N211 C215 C217 -4.1(6) . . . . ?
C213 C214 C215 N211 -0.5(4) . . . . ?
C213 C214 C215 C217 178.7(4) . . . . ?
C215 N211 C218 C221 -84.8(4) . . . . ?
N212 N211 C218 C221 89.0(3) . . . . ?
N211 C218 C221 C223 -1.5(4) . . . . ?
N211 C218 C221 C222 178.9(3) . . . . ?
C223 C221 C222 C232 179.6(3) . . . . ?
C218 C221 C222 C232 -0.9(4) . . . . ?
C223 C221 C222 C222 -0.3(5) . . . 2_767 ?
C218 C221 C222 C222 179.3(3) . . . 2_767 ?
C222 C221 C223 C231 0.4(5) . . . 2_767 ?
C218 C221 C223 C231 -179.1(3) . . . 2_767 ?
C223 C231 C232 C222 0.2(5) 2_767 . . . ?
C222 C222 C232 C231 -0.4(5) 2_767 . . . ?
C221 C222 C232 C231 179.8(3) . . . . ?
C315 N311 N312 C313 1.2(4) . . . . ?
C318 N311 N312 C313 171.2(3) . . . . ?
C315 N311 N312 Ag1 176.6(2) . . . . ?
C318 N311 N312 Ag1 -13.4(4) . . . . ?
N212 Ag1 N312 C313 107.6(3) . . . . ?
N112 Ag1 N312 C313 -40.2(3) . . . . ?
N411 Ag1 N312 C313 -141.8(3) . . . . ?
N212 Ag1 N312 N311 -66.5(3) . . . . ?
N112 Ag1 N312 N311 145.8(2) . . . . ?
N411 Ag1 N312 N311 44.1(3) . . . . ?
N311 N312 C313 C314 -0.9(4) . . . . ?
Ag1 N312 C313 C314 -175.7(2) . . . . ?
N311 N312 C313 C316 177.5(3) . . . . ?
Ag1 N312 C313 C316 2.6(5) . . . . ?
N312 C313 C314 C315 0.2(4) . . . . ?
C316 C313 C314 C315 -178.0(3) . . . . ?
N312 N311 C315 C314 -1.1(4) . . . . ?
C318 N311 C315 C314 -170.2(3) . . . . ?
N312 N311 C315 C317 179.0(3) . . . . ?
C318 N311 C315 C317 9.9(5) . . . . ?
C313 C314 C315 N311 0.5(4) . . . . ?
C313 C314 C315 C317 -179.7(4) . . . . ?
N312 N311 C318 C321 -85.3(3) . . . . ?
C315 N311 C318 C321 83.0(4) . . . . ?
N311 C318 C321 C323 6.3(4) . . . . ?
N311 C318 C321 C322 -175.1(3) . . . . ?
C323 C321 C322 C322 0.0(5) . . . 2_766 ?
C318 C321 C322 C322 -178.7(3) . . . 2_766 ?
C323 C321 C322 C332 -179.4(3) . . . . ?
C318 C321 C322 C332 1.9(5) . . . . ?
C322 C321 C323 C331 -0.6(5) . . . 2_766 ?
C318 C321 C323 C331 178.0(3) . . . 2_766 ?
C323 C331 C332 C322 0.1(5) 2_766 . . . ?
C321 C322 C332 C331 179.9(3) . . . . ?
C322 C322 C332 C331 0.5(5) 2_766 . . . ?
N212 Ag1 N411 C412 16(4) . . . . ?
N112 Ag1 N411 C412 138(4) . . . . ?
N312 Ag1 N411 C412 -104(4) . . . . ?
Ag1 N411 C412 C413 33(26) . . . . ?
O2 S1 C1 F2 62.0(3) . . . . ?
O3 S1 C1 F2 -58.0(3) . . . . ?
O1 S1 C1 F2 -178.8(3) . . . . ?
O2 S1 C1 F1 -58.5(3) . . . . ?
O3 S1 C1 F1 -178.6(3) . . . . ?
O1 S1 C1 F1 60.6(3) . . . . ?
O2 S1 C1 F3 -177.6(3) . . . . ?
O3 S1 C1 F3 62.3(3) . . . . ?
O1 S1 C1 F3 -58.5(3) . . . . ?
