#------------------------------------------------------------------------------
#$Date: 2016-03-26 13:42:56 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180233 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/19/7111937.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_7111937
loop_
_publ_author_name
'Istvan Kocsis'
'Dan Dumitrescu'
'Yves-Marie Legrand'
'Arie van der Lee'
'Ion Grosu'
'Mihail Barboiu'
_publ_section_title
;
 Self-sorting of dynamic metallosupramolecular libraries (DMLs) via
 metal-driven selection
;
_journal_name_full               Chem.Commun.
_journal_page_first              2621
_journal_paper_doi               10.1039/c3cc49673b
_journal_volume                  50
_journal_year                    2014
_chemical_formula_moiety         'C19 H17 Ag N5, C F3 O3 S'
_chemical_formula_sum            'C20 H17 Ag F3 N5 O3 S'
_chemical_formula_weight         572.33
_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   difmap
_atom_sites_solution_primary     iterative
_cell_angle_alpha                94.960(3)
_cell_angle_beta                 107.524(3)
_cell_angle_gamma                110.985(3)
_cell_formula_units_Z            2
_cell_length_a                   9.2473(3)
_cell_length_b                   10.7831(4)
_cell_length_c                   12.8209(5)
_cell_measurement_reflns_used    9119
_cell_measurement_temperature    175
_cell_measurement_theta_max      28.8980
_cell_measurement_theta_min      2.4770
_cell_volume                     1110.81(8)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
;
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'Superflip (Palatinus & Chapuis, 2007)'
_diffrn_ambient_temperature      175
_diffrn_detector_area_resol_mean 16.0143
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.886
_diffrn_measurement_details
;
  1 omega   -3.00   81.00   1.0000   19.4500
omega____ theta____ kappa____ phi______ frames
    -       15.4892   38.0000   90.0000 84

  2 omega  -46.00    0.00   1.0000   19.4500
omega____ theta____ kappa____ phi______ frames
    -       15.4892  -57.0000  150.0000 46

  3 omega   -1.00   31.00   1.0000   19.4500
omega____ theta____ kappa____ phi______ frames
    -       15.4892  -57.0000  -60.0000 32

  4 omega   36.00   63.00   1.0000   19.4500
omega____ theta____ kappa____ phi______ frames
    -       15.4892  179.0000  -90.0000 27

  5 omega  -48.00   29.00   1.0000   19.4500
omega____ theta____ kappa____ phi______ frames
    -       15.4892  -57.0000  -90.0000 77

  6 omega  -66.00  -13.00   1.0000   19.4500
omega____ theta____ kappa____ phi______ frames
    -      -16.2704  118.0000  157.0000 53

  7 omega  -16.00   22.00   1.0000   19.4500
omega____ theta____ kappa____ phi______ frames
    -      -16.2704  -99.0000   60.0000 38

  8 omega  -14.00   87.00   1.0000   19.4500
omega____ theta____ kappa____ phi______ frames
    -       15.4892   19.0000  -60.0000 101

  9 omega   -1.00   83.00   1.0000   19.4500
omega____ theta____ kappa____ phi______ frames
    -       15.4892   57.0000 -180.0000 84

 10 omega  -25.00   23.00   1.0000   19.4500
omega____ theta____ kappa____ phi______ frames
    -      -16.2704  -99.0000  -90.0000 48

 11 omega  -35.00   53.00   1.0000   19.4500
omega____ theta____ kappa____ phi______ frames
    -      -16.2704   38.0000 -180.0000 88

 12 omega  -68.00  -16.00   1.0000   19.4500
omega____ theta____ kappa____ phi______ frames
    -      -16.2704  122.0000 -145.9292 52

 13 omega  -76.00  -24.00   1.0000   19.4500
omega____ theta____ kappa____ phi______ frames
    -      -16.2704  135.0000  -14.1159 52

;
_diffrn_measurement_device       Area
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0583228000
_diffrn_orient_matrix_UB_12      -0.0273477000
_diffrn_orient_matrix_UB_13      0.0242083000
_diffrn_orient_matrix_UB_21      -0.0018424000
_diffrn_orient_matrix_UB_22      0.0197963000
_diffrn_orient_matrix_UB_23      0.0536413000
_diffrn_orient_matrix_UB_31      -0.0658023000
_diffrn_orient_matrix_UB_32      -0.0638110000
_diffrn_orient_matrix_UB_33      -0.0084110000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.031
_diffrn_reflns_av_sigmaI/netI    0.0442
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            19879
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         29.336
_diffrn_reflns_theta_min         1.707
_exptl_absorpt_coefficient_mu    1.059
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.98422
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.711
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             572
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.71
_refine_diff_density_min         -0.39
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.0846
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         4818
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0358
_refine_ls_R_factor_gt           0.0296
_refine_ls_shift/su_max          0.0005894
_refine_ls_shift/su_mean         0.0000242
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
 Method, part 1, Chebychev polynomial, (Watkin, 1994, Prince, 1982) 
 [weight] = 1.0/[A₀*T₀(x)+A₁*T₁(x) ... +Aₙ₋₁]*Tₙ₋₁(x)] 
 where Ai are the Chebychev coefficients listed below and x= Fcalc/Fmax 
 Method = Robust Weighting (Prince, 1982) 
 W = [weight] * [1-(deltaF/6*sigmaF)²]² 
 Ai are: 
 13.5 7.12 11.4 5.02 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0401
_refine_ls_wR_factor_gt          0.0368
_refine_ls_wR_factor_ref         0.0368
_reflns_limit_h_max              11
_reflns_limit_h_min              -12
_reflns_limit_k_max              14
_reflns_limit_k_min              -14
_reflns_limit_l_max              17
_reflns_limit_l_min              0
_reflns_number_gt                4818
_reflns_number_total             5410
_reflns_threshold_expression     I>2.0σ(I)
_oxford_diffrn_Wilson_B_factor   2.27
_oxford_diffrn_Wilson_scale      0.53
_oxford_refine_ls_r_factor_ref   0.0296
_oxford_refine_ls_scale          3.930(6)
_oxford_reflns_number_all        5410
_oxford_reflns_threshold_expression_ref I>2.0\s(I)
_cod_data_source_file            c3cc49673b.txt
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               7111937
#BEGIN Tags that were not found in dictionaries:
_cell_oxdiff_length_a            9.2473(3)
_cell_oxdiff_length_b            10.7831(4)
_cell_oxdiff_length_c            12.8209(5)
_cell_oxdiff_angle_alpha         94.960(3)
_cell_oxdiff_angle_beta          107.524(3)
_cell_oxdiff_angle_gamma         110.986(3)
_cell_oxdiff_volume              1110.81(7)
_montpellier_reflns_maxres       0.73
_montpellier_reflns_completeness_maxres 88.57
_montpellier_reflns_redundancy_maxres 3.67
_iucr_refine_instruction_details_constraints
;
BLOCK SCALE X'S, U'S 
RIDE C   (  10,X'S) H   (  15,X'S) 
RIDE C   (  11,X'S) H   (  29,X'S) 
RIDE C   (  12,X'S) H   (  32,X'S) 
RIDE C   (  14,X'S) H   (  19,X'S) 
RIDE C   (  15,X'S) H   (  16,X'S) H   (  33,X'S) 
RIDE C   (  17,X'S) H   (   2,X'S) 
RIDE C   (  21,X'S) H   (  24,X'S) 
RIDE C   (  23,X'S) H   (  34,X'S) H   (  27,X'S) 
RIDE C   (  25,X'S) H   (  12,X'S) 
RIDE C   (  27,X'S) H   (  18,X'S) 
RIDE C   (  28,X'S) H   (  28,X'S) 
RIDE C   (  29,X'S) H   (  23,X'S) 
RIDE C   (  30,X'S) H   (  37,X'S) 
RIDE C   (  31,X'S) H   (  36,X'S) 
RIDE C   (  32,X'S) H   (   1,X'S) 
END                                                                             
;
_iucr_refine_instruction_details_restraints
;
NO 
REM   HREST   START (DO NOT REMOVE THIS LINE) 
REM   HREST   END (DO NOT REMOVE THIS LINE) 
END                                                                             
;
#END Tags that were not found in dictionaries
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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
S1 S 0.72009(6) 0.91646(5) 0.30305(4) 0.0264 1.0000 Uani .
O2 O 0.5759(2) 0.90964(19) 0.21476(15) 0.0418 1.0000 Uani .
O3 O 0.6875(2) 0.81290(17) 0.36658(15) 0.0422 1.0000 Uani .
O4 O 0.8645(2) 0.9430(2) 0.27368(17) 0.0453 1.0000 Uani .
C5 C 0.7755(4) 1.0710(3) 0.4024(3) 0.0482 1.0000 Uani .
F6 F 0.7997(4) 1.1771(2) 0.3544(3) 0.0970 1.0000 Uani .
F7 F 0.9108(2) 1.0996(2) 0.48993(17) 0.0691 1.0000 Uani .
F8 F 0.6554(3) 1.0605(3) 0.4430(2) 0.0828 1.0000 Uani .
N9 N -0.00404(18) 0.16563(15) 0.02377(13) 0.0211 1.0000 Uani .
C10 C -0.1154(2) 0.11822(18) 0.07317(16) 0.0234 1.0000 Uani .
C11 C -0.2753(2) 0.02233(19) 0.01642(18) 0.0257 1.0000 Uani .
C12 C -0.3230(2) -0.02706(18) -0.09730(17) 0.0245 1.0000 Uani .
C13 C -0.2090(2) 0.01981(18) -0.15095(15) 0.0215 1.0000 Uani .
C14 C -0.0511(2) 0.11590(17) -0.08617(16) 0.0214 1.0000 Uani .
C15 C -0.2537(3) -0.03626(19) -0.27338(17) 0.0274 1.0000 Uani .
N16 N -0.2697(2) -0.17793(16) -0.28842(14) 0.0247 1.0000 Uani .
C17 C -0.2439(3) -0.2238(2) -0.37149(16) 0.0282 1.0000 Uani .
C18 C -0.2609(3) -0.3661(2) -0.39316(17) 0.0287 1.0000 Uani .
N19 N -0.2654(2) -0.43190(16) -0.30935(14) 0.0250 1.0000 Uani .
C20 C -0.2858(3) -0.5626(2) -0.32766(17) 0.0270 1.0000 Uani .
C21 C -0.2834(2) -0.63033(19) -0.23242(17) 0.0249 1.0000 Uani .
N22 N -0.2358(2) -0.56278(16) -0.13375(14) 0.0232 1.0000 Uani .
C23 C -0.2333(2) -0.63875(19) -0.04368(17) 0.0243 1.0000 Uani .
C24 C -0.2841(2) -0.57879(17) 0.04264(15) 0.0211 1.0000 Uani .
C25 C -0.4415(2) -0.64107(17) 0.04589(16) 0.0221 1.0000 Uani .
N26 N -0.49369(19) -0.59001(16) 0.11987(14) 0.0235 1.0000 Uani .
C27 C -0.3873(2) -0.4728(2) 0.19306(16) 0.0253 1.0000 Uani .
C28 C -0.2274(2) -0.4035(2) 0.19623(18) 0.0294 1.0000 Uani .
C29 C -0.1757(2) -0.4579(2) 0.11972(18) 0.0293 1.0000 Uani .
C30 C -0.3066(4) -0.6327(2) -0.4313(2) 0.0431 1.0000 Uani .
C31 C -0.2988(4) -0.5637(3) -0.5171(2) 0.0503 1.0000 Uani .
C32 C -0.2733(4) -0.4285(3) -0.49753(19) 0.0419 1.0000 Uani .
Ag33 Ag 0.251831(17) 0.318149(15) 0.133535(12) 0.0290 1.0000 Uani .
H12 H -0.5140 -0.7227 -0.0033 0.0267 1.0000 Uiso R
H15 H -0.0810 0.1522 0.1495 0.0284 1.0000 Uiso R
H16 H -0.1678 0.0180 -0.2989 0.0332 1.0000 Uiso R
H18 H -0.4213 -0.4367 0.2445 0.0309 1.0000 Uiso R
H19 H 0.0272 0.1475 -0.1206 0.0265 1.0000 Uiso R
H23 H -0.0700 -0.4140 0.1198 0.0352 1.0000 Uiso R
H24 H -0.3214 -0.7260 -0.2468 0.0302 1.0000 Uiso R
H28 H -0.1567 -0.3232 0.2484 0.0353 1.0000 Uiso R
H34 H -0.1211 -0.6303 -0.0094 0.0287 1.0000 Uiso R
H36 H -0.3091 -0.6055 -0.5871 0.0605 1.0000 Uiso R
H37 H -0.3237 -0.7251 -0.4404 0.0518 1.0000 Uiso R
H27 H -0.3070 -0.7347 -0.0759 0.0295 1.0000 Uiso R
H29 H -0.3474 -0.0077 0.0555 0.0312 1.0000 Uiso R
H1 H -0.2650 -0.3786 -0.5521 0.0507 1.0000 Uiso R
H32 H -0.4304 -0.0902 -0.1386 0.0308 1.0000 Uiso R
H33 H -0.3603 -0.0362 -0.3159 0.0339 1.0000 Uiso R
H2 H -0.2128 -0.1681 -0.4203 0.0361 1.0000 Uiso R
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
C 0.0033 0.0016 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
N 0.0061 0.0033 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826
-11.5290 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
O 0.0106 0.0060 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089
0.2508 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Ag -0.8971 1.1015 19.2808 0.6446 16.6885 7.4726 4.8045 24.6605 1.0463 99.8156
5.1790 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
S 0.1246 0.1234 6.9053 1.4679 5.2034 22.2151 1.4379 0.2536 1.5863 56.1720
0.8669 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
F 0.0171 0.0103 3.5392 10.2825 2.6412 4.2944 1.5170 0.2615 1.0243 26.1476
0.2776 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
loop_
_montpellier_diffrn_reflns_class_number
_montpellier_diffrn_reflns_class_d_res_high
_montpellier_diffrn_reflns_class_d_res_low
_montpellier_diffrn_reflns_class_redundancy
_montpellier_diffrn_reflns_class_av_i/ui
_diffrn_reflns_class_av_R_eq
_montpellier_diffrn_reflns_class_completeness_shell
_montpellier_diffrn_reflns_class_cumul_completeness
0 100.0 1.62 6.7 75.98 0.022 100.0 100.00
1 1.62 1.29 5.2 46.37 0.029 100.0 100.00
2 1.29 1.13 4.6 32.62 0.036 100.0 100.00
3 1.13 1.02 3.9 24.14 0.040 100.0 100.00
4 1.02 0.95 3.5 18.15 0.050 100.0 100.00
5 0.95 0.89 3.3 14.62 0.060 100.0 100.00
6 0.89 0.85 3.0 10.78 0.077 100.0 100.00
7 0.85 0.81 2.9 9.41 0.086 100.0 100.00
8 0.81 0.78 2.3 7.70 0.095 93.4 99.23
9 0.78 0.73 1.3 4.98 0.108 45.0 88.57
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O2 . S1 O3 . 114.55(11) yes
O2 . S1 O4 . 115.07(12) yes
O3 . S1 O4 . 115.34(12) yes
O2 . S1 C5 . 102.86(12) yes
O3 . S1 C5 . 103.26(13) yes
O4 . S1 C5 . 103.31(13) yes
S1 . C5 F6 . 111.1(2) yes
S1 . C5 F7 . 112.97(18) yes
F6 . C5 F7 . 107.8(3) yes
S1 . C5 F8 . 111.1(2) yes
F6 . C5 F8 . 107.4(3) yes
F7 . C5 F8 . 106.2(3) yes
C10 . N9 C14 . 117.70(15) yes
C10 . N9 Ag33 . 117.37(13) yes
C14 . N9 Ag33 . 124.90(12) yes
N9 . C10 C11 . 123.38(18) yes
N9 . C10 H15 . 117.0 no
C11 . C10 H15 . 119.6 no
C10 . C11 C12 . 118.37(17) yes
C10 . C11 H29 . 119.6 no
C12 . C11 H29 . 122.0 no
C11 . C12 C13 . 119.52(17) yes
C11 . C12 H32 . 120.7 no
C13 . C12 H32 . 119.7 no
C12 . C13 C14 . 117.59(17) yes
C12 . C13 C15 . 121.09(17) yes
C14 . C13 C15 . 121.27(17) yes
C13 . C14 N9 . 123.42(16) yes
C13 . C14 H19 . 118.7 no
N9 . C14 H19 . 117.9 no
C13 . C15 N16 . 108.92(15) yes
C13 . C15 H16 . 109.5 no
N16 . C15 H16 . 109.9 no
C13 . C15 H33 . 109.5 no
N16 . C15 H33 . 108.0 no
H16 . C15 H33 . 110.9 no
C15 . N16 Ag33 2_555 126.02(12) yes
C15 . N16 C17 . 117.28(17) yes
Ag33 2_555 N16 C17 . 113.65(13) yes
N16 . C17 C18 . 120.30(18) yes
N16 . C17 H2 . 120.6 no
C18 . C17 H2 . 119.1 no
C17 . C18 N19 . 117.22(17) yes
C17 . C18 C32 . 120.70(19) yes
N19 . C18 C32 . 122.08(19) yes
Ag33 2_555 N19 C18 . 119.78(13) yes
Ag33 2_555 N19 C20 . 121.57(13) yes
C18 . N19 C20 . 118.58(17) yes
N19 . C20 C21 . 117.19(17) yes
N19 . C20 C30 . 122.26(19) yes
C21 . C20 C30 . 120.55(18) yes
C20 . C21 N22 . 121.15(17) yes
C20 . C21 H24 . 118.5 no
N22 . C21 H24 . 120.3 no
Ag33 2_555 N22 C21 . 111.51(12) yes
Ag33 2_555 N22 C23 . 127.93(11) yes
C21 . N22 C23 . 117.25(16) yes
N22 . C23 C24 . 110.16(14) yes
N22 . C23 H34 . 107.1 no
C24 . C23 H34 . 109.5 no
N22 . C23 H27 . 109.4 no
C24 . C23 H27 . 111.1 no
H34 . C23 H27 . 109.5 no
C23 . C24 C25 . 120.97(17) yes
C23 . C24 C29 . 121.05(16) yes
C25 . C24 C29 . 117.96(17) yes
C24 . C25 N26 . 123.16(17) yes
C24 . C25 H12 . 119.1 no
N26 . C25 H12 . 117.7 no
Ag33 1_445 N26 C25 . 126.54(12) yes
Ag33 1_445 N26 C27 . 115.60(12) yes
C25 . N26 C27 . 117.87(16) yes
N26 . C27 C28 . 123.04(17) yes
N26 . C27 H18 . 118.8 no
C28 . C27 H18 . 118.1 no
C27 . C28 C29 . 118.27(18) yes
C27 . C28 H28 . 120.8 no
C29 . C28 H28 . 120.9 no
C24 . C29 C28 . 119.71(17) yes
C24 . C29 H23 . 120.1 no
C28 . C29 H23 . 120.2 no
C20 . C30 C31 . 119.0(2) yes
C20 . C30 H37 . 118.9 no
C31 . C30 H37 . 122.1 no
C30 . C31 C32 . 118.8(2) yes
C30 . C31 H36 . 122.1 no
C32 . C31 H36 . 119.0 no
C18 . C32 C31 . 119.2(2) yes
C18 . C32 H1 . 119.5 no
C31 . C32 H1 . 121.3 no
N19 2_555 Ag33 N16 2_555 66.21(5) yes
N19 2_555 Ag33 N26 1_665 108.35(6) yes
N16 2_555 Ag33 N26 1_665 108.07(5) yes
N19 2_555 Ag33 N9 . 114.30(6) yes
N16 2_555 Ag33 N9 . 92.93(5) yes
N26 1_665 Ag33 N9 . 137.15(6) yes
N19 2_555 Ag33 N22 2_555 64.97(5) yes
N16 2_555 Ag33 N22 2_555 131.14(5) yes
N26 1_665 Ag33 N22 2_555 88.86(5) yes
N9 . Ag33 N22 2_555 105.09(5) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
S1 O2 . 1.4394(17) yes
S1 O3 . 1.4370(16) yes
S1 O4 . 1.4332(18) yes
S1 C5 . 1.814(3) yes
C5 F6 . 1.326(4) yes
C5 F7 . 1.318(3) yes
C5 F8 . 1.337(4) yes
N9 C10 . 1.340(2) yes
N9 C14 . 1.340(2) yes
N9 Ag33 . 2.2563(15) yes
C10 C11 . 1.382(3) yes
C10 H15 . 0.927 no
C11 C12 . 1.384(3) yes
C11 H29 . 0.936 no
C12 C13 . 1.398(3) yes
C12 H32 . 0.931 no
C13 C14 . 1.390(2) yes
C13 C15 . 1.505(3) yes
C14 H19 . 0.936 no
C15 N16 . 1.471(2) yes
C15 H16 . 0.968 no
C15 H33 . 0.973 no
N16 Ag33 2_555 2.5995(16) yes
N16 C17 . 1.258(3) yes
C17 C18 . 1.478(3) yes
C17 H2 . 0.941 no
C18 N19 . 1.341(3) yes
C18 C32 . 1.397(3) yes
N19 Ag33 2_555 2.4171(16) yes
N19 C20 . 1.343(2) yes
C20 C21 . 1.474(3) yes
C20 C30 . 1.393(3) yes
C21 N22 . 1.265(3) yes
C21 H24 . 0.943 no
N22 Ag33 2_555 2.6945(15) yes
N22 C23 . 1.472(2) yes
C23 C24 . 1.507(2) yes
C23 H34 . 0.964 no
C23 H27 . 0.978 no
C24 C25 . 1.383(2) yes
C24 C29 . 1.387(3) yes
C25 N26 . 1.346(2) yes
C25 H12 . 0.921 no
N26 Ag33 1_445 2.2712(15) yes
N26 C27 . 1.339(2) yes
C27 C28 . 1.383(3) yes
C27 H18 . 0.923 no
C28 C29 . 1.386(3) yes
C28 H28 . 0.925 no
C29 H23 . 0.921 no
C30 C31 . 1.386(4) yes
C30 H37 . 0.942 no
C31 C32 . 1.378(3) yes
C31 H36 . 0.930 no
C32 H1 . 0.922 no
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_angle_DHA
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_publ_flag
C15 H16 O4 2_665 137.60(6) 0.968 2.595 3.374(3) yes
C23 H27 O2 2_555 148.72(6) 0.978 2.511 3.385(3) yes
C11 H29 O2 1_445 154.49(6) 0.936 2.490 3.359(3) yes
C32 H1 O3 1_444 146.89(7) 0.922 2.509 3.320(3) yes
C17 H2 O3 1_444 135.81(6) 0.941 2.571 3.311(3) yes
