#------------------------------------------------------------------------------
#$Date: 2016-11-30 04:10:25 +0200 (Wed, 30 Nov 2016) $
#$Revision: 188751 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/24/19/2241965.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2241965
loop_
_publ_author_name
'Kraus, Florian'
'Fichtl, Matthias'
'Baer, Sebastian'
_publ_section_title
;
Crystal structure of [Ag(NH~3~)~3~]~2~[Ag(NH~3~)~2~]~2~[SnF~6~]F~2~, a
compound showing argentophilic interactions
;
_journal_coeditor_code WM5342
_journal_issue 12
_journal_name_full 'Acta Crystallographica Section E'
_journal_page_first 1860
_journal_page_last 1863
_journal_paper_doi 10.1107/S2056989016019010
_journal_volume 72
_journal_year 2016
_chemical_formula_iupac '[Ag (N H3)3]2 [Ag (N H3)2]2 [Sn F6] F2'
_chemical_formula_moiety
'2(Ag N2 H9 +), 2(Ag N2 H6 +), Sn F6 2-, 2(F -)'
_chemical_formula_sum 'Ag4 F8 H30 N10 Sn'
_chemical_formula_weight 872.51
_chemical_name_systematic
;
Bis[triamminesilver(I)] bis[diamminesilver(I)] hexafluoridostannate(IV)
difluoride
;
_space_group_crystal_system monoclinic
_space_group_IT_number 14
_space_group_name_Hall '-P 2ybc'
_space_group_name_H-M_alt 'P 1 21/c 1'
_symmetry_space_group_name_Hall '-P 2ybc'
_symmetry_space_group_name_H-M 'P 1 21/c 1'
_atom_sites_solution_hydrogens difmap
_atom_sites_solution_primary direct
_atom_sites_solution_secondary difmap
_audit_creation_method SHELXL-2016/4
_cell_angle_alpha 90
_cell_angle_beta 113.205(4)
_cell_angle_gamma 90
_cell_formula_units_Z 2
_cell_length_a 7.3274(2)
_cell_length_b 19.4495(4)
_cell_length_c 7.8579(3)
_cell_measurement_reflns_used 16653
_cell_measurement_temperature 123(2)
_cell_measurement_theta_max 39.1074
_cell_measurement_theta_min 2.8146
_cell_volume 1029.27(6)
_computing_cell_refinement
;
CrysAlis RED (Oxford Diffraction, 2008)
;
_computing_data_collection
;
CrysAlis CCD (Oxford Diffraction, 2008)
;
_computing_data_reduction
;
CrysAlis RED (Oxford Diffraction, 2008)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 2012)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2016 (Sheldrick, 2015) and SHELXLE (H\"ubschle et
al., 2011)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature 123(2)
_diffrn_detector_area_resol_mean 16.0238
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.947
_diffrn_measurement_device ' \k-geometry diffractometer '
_diffrn_measurement_device_type 'Oxford-Diffraction Xcalibur3'
_diffrn_measurement_method ' phi- and omega-rotation '
_diffrn_radiation_monochromator graphite
_diffrn_radiation_type MoK\a
_diffrn_radiation_wavelength 0.71073
_diffrn_reflns_av_R_equivalents 0.0299
_diffrn_reflns_limit_h_max 13
_diffrn_reflns_limit_h_min -12
_diffrn_reflns_limit_k_max 30
_diffrn_reflns_limit_k_min -34
_diffrn_reflns_limit_l_max 13
_diffrn_reflns_limit_l_min -13
_diffrn_reflns_number 30418
_diffrn_reflns_theta_full 25.242
_diffrn_reflns_theta_max 39.198
_diffrn_reflns_theta_min 3.009
_exptl_absorpt_coefficient_mu 5.009
_exptl_absorpt_correction_T_max 1.00000
_exptl_absorpt_correction_T_min 0.60213
_exptl_absorpt_correction_type multi-scan
_exptl_absorpt_process_details
;
(CrysAlis RED; Oxford Diffraction, 2008)
;
_exptl_crystal_colour colorless
_exptl_crystal_density_diffrn 2.815
_exptl_crystal_density_method 'not measured'
_exptl_crystal_description block
_exptl_crystal_F_000 820
_exptl_crystal_size_max 0.20
_exptl_crystal_size_mid 0.05
_exptl_crystal_size_min 0.05
_refine_diff_density_max 1.044
_refine_diff_density_min -0.930
_refine_ls_extinction_coef 0.00277(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method
;
SHELXL2016 (Sheldrick, 2015)
;
_refine_ls_goodness_of_fit_ref 0.993
_refine_ls_hydrogen_treatment refall
_refine_ls_matrix_type full
_refine_ls_number_parameters 167
_refine_ls_number_reflns 5731
_refine_ls_number_restraints 0
_refine_ls_restrained_S_all 0.993
_refine_ls_R_factor_all 0.0355
_refine_ls_R_factor_gt 0.0201
_refine_ls_shift/su_max 0.002
_refine_ls_shift/su_mean 0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0215P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme calc
_refine_ls_wR_factor_gt 0.0402
_refine_ls_wR_factor_ref 0.0458
_reflns_number_gt 4330
_reflns_number_total 5731
_reflns_threshold_expression 'I > 2\s(I)'
_cod_data_source_file wm5342sup1.cif
_cod_data_source_block I
_cod_database_code 2241965
_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_hkl_file
;
0 0 1 0.95 0.78
0 0 2 741.38 5.96
0 0 -2 717.51 5.94
0 0 -2 738.82 6.55
0 0 3 1.29 1.67
0 0 -3 0.42 2.05
0 0 -3 1.38 2.24
0 0 -3 0.17 1.70
0 0 3 0.59 2.33
0 0 -3 0.72 2.73
0 0 -4 175.57 4.85
0 0 4 181.58 3.40
0 0 -4 182.06 3.46
0 0 -4 178.80 5.42
0 0 4 184.29 4.88
0 0 -4 188.95 3.87
0 0 -5 -0.16 2.25
0 0 5 0.90 1.86
0 0 -5 0.48 1.98
0 0 5 2.10 2.64
0 0 -5 0.73 2.59
0 0 -5 0.69 3.22
0 0 -6 591.96 11.07
0 0 -6 587.44 10.13
0 0 6 584.15 10.04
0 0 6 577.36 6.96
0 0 -6 576.75 7.03
0 0 -6 576.53 7.65
0 0 7 2.57 3.79
0 0 -7 -0.80 3.10
0 0 -7 0.26 2.71
0 0 -7 1.43 4.52
0 0 7 1.91 2.71
0 0 -7 -0.22 3.70
0 0 8 74.77 5.69
0 0 -8 81.39 6.02
0 0 -8 89.47 4.63
0 0 8 91.00 4.30
0 0 -8 91.20 6.75
0 0 -8 93.63 4.41
0 0 -9 -0.85 5.15
0 0 9 0.00 3.30
0 0 -9 5.59 4.98
0 0 -9 0.33 3.64
0 0 -9 1.71 3.43
0 0 -10 25.06 4.63
0 0 -11 -0.50 4.82
0 0 -12 14.61 5.61
0 1 1 8.55 1.11
0 -1 1 10.71 1.08
0 1 1 9.66 0.82
0 -1 -1 9.26 0.78
0 -1 1 8.90 1.05
0 1 1 9.03 0.83
0 -1 -2 26.72 2.08
0 1 -2 27.30 2.12
0 1 -2 25.38 2.06
0 -1 -2 27.76 1.73
0 -1 2 28.89 2.10
0 1 2 30.90 1.73
0 -1 -3 21.92 1.89
0 1 3 21.74 2.37
0 -1 3 20.50 2.06
0 -1 -3 18.50 2.47
0 1 -3 25.87 2.12
0 1 -3 30.82 2.22
0 -1 -3 19.19 2.27
0 1 3 20.80 1.73
0 -1 -3 18.41 3.11
0 -1 3 21.22 2.84
0 1 -3 28.13 2.88
0 1 -3 21.72 2.93
0 -1 -4 1585.32 9.59
0 -1 -4 1644.85 8.55
0 1 4 1637.27 12.15
0 -1 4 1627.57 12.96
0 -1 -4 1594.28 13.77
0 -1 -4 1616.96 12.19
0 1 -4 1609.66 9.38
0 1 -4 1631.78 13.03
0 1 -4 1609.81 35.45
0 1 -4 1578.17 13.30
0 -1 4 1635.90 35.53
0 1 4 1620.72 33.16
0 1 -5 133.15 5.03
0 1 -5 122.53 5.18
0 -1 -5 124.02 3.25
0 -1 -5 122.61 4.61
0 1 -5 129.69 3.53
0 1 5 128.87 3.26
0 -1 5 123.17 4.82
0 1 -5 130.69 3.71
0 -1 5 129.28 3.46
0 -1 -5 128.71 3.82
0 1 5 122.67 4.58
0 -1 -5 132.63 5.42
0 -1 -6 12.97 3.56
0 1 -6 16.21 2.79
0 1 6 13.79 2.51
0 -1 -6 15.87 2.96
0 -1 -6 15.08 2.58
0 1 -6 18.85 3.02
0 -1 6 15.06 2.72
0 -1 -6 18.79 4.21
0 1 -6 14.10 3.83
0 1 6 15.37 3.53
0 1 -6 14.85 4.17
0 -1 6 12.80 3.79
0 -1 7 168.46 6.87
0 -1 -7 182.41 4.78
0 1 -7 175.85 5.27
0 -1 -7 187.77 7.73
0 1 -7 178.15 7.04
0 1 -7 187.60 5.08
0 1 7 184.11 4.78
0 -1 -7 178.70 5.37
0 -1 -7 168.75 6.63
0 1 7 185.74 6.83
0 1 -7 181.16 7.60
0 -1 7 186.28 4.99
0 1 8 3.34 3.95
0 1 -8 3.21 3.23
0 -1 8 3.21 3.14
0 1 -8 2.34 4.90
0 -1 -8 7.15 3.47
0 -1 -8 5.80 3.08
0 -1 -8 3.95 4.76
0 1 -8 3.96 3.38
0 1 8 2.81 2.89
0 1 -8 4.79 4.46
0 -1 -8 7.34 4.46
0 -1 8 3.01 4.05
0 1 -9 148.36 5.89
0 -1 -9 137.14 5.30
0 1 -9 126.04 5.32
0 1 -9 137.17 8.31
0 1 -9 121.34 7.50
0 -1 -9 136.37 5.90
0 -1 -9 139.59 8.58
0 -1 9 138.41 7.75
0 -1 9 136.79 5.44
0 1 -10 123.09 6.15
0 -1 -10 134.59 6.42
0 1 -10 111.33 5.43
0 1 -11 105.39 6.47
0 -1 -11 100.49 6.48
0 -1 -12 30.70 5.77
0 1 -12 28.12 5.58
0 -2 -1 263.81 3.25
0 -2 -1 274.40 2.08
0 -2 -1 257.90 3.08
0 2 -1 271.71 3.41
0 2 -1 270.70 2.63
0 -2 1 276.08 3.49
0 -2 -1 272.01 2.13
0 -2 1 266.99 2.64
0 2 1 268.14 3.23
0 2 1 257.93 3.03
0 2 1 267.81 2.08
0 2 1 269.11 2.08
0 -2 -2 1039.17 8.01
0 -2 2 1085.37 8.04
0 -2 -2 1062.89 24.82
0 2 -2 1039.94 7.22
0 2 2 1092.88 24.76
0 2 -2 1058.63 8.00
0 -2 -3 110.65 3.06
0 -2 -3 110.81 3.31
0 2 -3 113.28 2.86
0 2 -3 109.09 3.95
0 -2 3 111.17 3.81
0 2 -3 111.23 2.73
0 -2 -3 109.38 2.89
0 -2 -3 107.71 4.29
0 -2 3 112.76 2.79
0 2 3 112.77 3.21
0 2 -3 112.16 3.87
0 -2 4 646.85 8.76
0 2 -4 667.41 6.19
0 2 4 649.85 5.35
0 2 -4 640.69 8.76
0 -2 -4 651.97 7.77
0 -2 -4 649.50 6.48
0 -2 -4 647.75 9.19
0 2 -4 660.66 6.17
0 2 -4 650.25 8.74
0 -2 4 668.56 6.18
0 -2 -4 653.17 5.44
0 2 4 643.97 7.67
0 -2 -5 195.54 6.25
0 2 -5 200.03 4.24
0 2 -5 209.80 6.15
0 2 5 192.84 5.27
0 -2 -5 207.26 3.83
0 -2 -5 204.87 5.43
0 -2 -5 199.80 4.46
0 2 -5 204.45 4.30
0 2 -5 196.75 6.03
0 -2 5 200.46 6.03
0 -2 5 202.25 4.22
0 2 5 209.14 3.82
0 -2 6 112.16 5.60
0 2 6 114.50 3.50
0 -2 -6 109.01 5.97
0 2 -6 111.16 5.60
0 -2 -6 108.24 4.94
0 -2 -6 109.29 4.21
0 2 -6 102.70 5.61
0 2 -6 114.62 4.05
0 -2 6 104.48 3.87
0 2 6 102.93 4.91
0 -2 -6 112.96 3.59
0 2 -6 107.77 3.95
0 2 -7 176.64 5.04
0 -2 7 174.05 7.20
0 -2 -7 172.52 5.41
0 -2 -7 169.82 4.61
0 2 -7 181.47 7.50
0 -2 -7 175.65 7.89
0 2 -7 180.00 7.25
0 -2 -7 176.52 6.57
0 2 7 185.97 4.70
0 2 -7 174.22 5.14
0 -2 7 176.23 5.06
0 2 7 172.54 6.51
0 2 8 287.17 6.09
0 -2 8 281.65 6.59
0 2 -8 259.29 9.07
0 -2 -8 257.24 9.85
0 -2 -8 283.08 6.09
0 2 -8 278.86 6.57
0 2 -8 274.01 6.70
0 -2 -8 270.40 8.54
0 -2 -8 270.66 6.93
0 -2 8 278.07 9.27
0 2 -8 284.34 9.72
0 -2 9 4.39 3.58
0 -2 -9 5.65 5.38
0 -2 9 4.14 4.75
0 2 -9 4.45 3.70
0 2 -9 2.11 5.29
0 2 -9 2.61 4.88
0 2 -9 5.94 3.70
0 -2 -9 2.49 3.70
0 -2 -10 24.49 4.78
0 2 -10 22.60 4.54
0 -2 10 25.38 4.46
0 2 -10 24.44 4.49
0 -2 -11 7.73 5.01
0 2 -11 7.03 4.76
0 -2 -12 1.57 5.53
0 2 -12 0.41 5.11
0 -3 0 0.25 0.99
0 3 0 0.58 1.04
0 -3 0 0.16 0.97
0 3 0 0.60 0.95
0 3 1 1282.37 16.65
0 -3 -1 1235.48 26.30
0 3 1 1231.12 26.20
0 3 -1 1268.38 19.70
0 -3 -1 1279.49 16.99
0 -3 1 1236.70 19.46
0 3 -1 1263.55 29.20
0 3 1 1277.75 16.84
0 -3 1 1276.30 29.36
0 -3 -1 1247.99 27.18
0 -3 -1 1251.34 16.56
0 -3 2 1446.52 38.44
0 3 2 1476.68 26.38
0 -3 -2 1418.42 9.54
0 3 2 1511.75 27.17
0 3 -2 1385.21 26.28
0 -3 -2 1486.24 27.37
0 -3 -2 1493.78 26.28
0 3 -2 1458.07 38.81
0 3 -2 1461.99 32.64
0 3 -3 1469.60 31.75
0 -3 3 1447.99 11.54
0 -3 -3 1444.67 32.20
0 3 -3 1420.24 11.48
0 -3 3 1449.70 31.35
0 -3 -3 1458.63 7.79
0 -3 -3 1430.16 8.93
0 3 3 1476.47 35.39
0 -3 -3 1449.80 11.69
0 3 -3 1444.92 28.69
0 3 -3 1424.83 10.42
0 3 4 16.12 2.30
0 -3 -4 17.78 2.47
0 3 -4 18.63 2.20
0 -3 -4 15.73 2.32
0 -3 -4 17.06 1.74
0 -3 -4 16.45 2.05
0 3 -4 18.16 2.85
0 3 -4 16.10 2.87
0 -3 4 18.54 2.97
0 -3 4 19.30 2.13
0 -3 -4 15.87 3.42
0 3 4 18.46 1.75
0 3 -4 16.47 2.05
0 -3 -5 13.04 2.60
0 3 -5 11.92 2.33
0 -3 -5 9.37 2.65
0 -3 5 11.56 2.29
0 3 -5 14.00 2.33
0 -3 5 9.23 3.05
0 -3 -5 9.05 3.60
0 3 -5 13.90 3.16
0 3 5 9.29 2.59
0 3 5 10.17 1.90
0 3 -5 9.32 3.02
0 -3 -5 9.46 1.96
0 3 6 207.85 6.06
0 -3 -6 220.06 7.58
0 -3 -6 215.60 6.23
0 3 -6 221.48 4.99
0 3 -6 209.51 4.99
0 -3 -6 212.51 4.35
0 3 -6 211.39 7.06
0 -3 6 212.79 5.04
0 -3 6 227.17 7.40
0 3 -6 220.83 7.25
0 -3 -6 218.80 5.35
0 3 6 212.81 4.29
0 -3 -7 0.82 2.54
0 -3 -7 1.63 3.09
0 3 7 1.30 2.36
0 -3 -7 1.46 4.40
0 3 -7 -1.22 2.86
0 -3 7 1.12 3.01
0 -3 7 5.03 4.26
0 3 -7 1.82 4.21
0 3 7 0.61 3.25
0 -3 -7 1.18 3.42
0 3 -7 1.22 3.00
0 3 -7 1.02 4.30
0 -3 -8 75.96 5.10
0 -3 8 122.37 5.02
0 -3 -8 123.44 5.37
0 3 -8 119.99 4.96
0 -3 8 115.98 6.96
0 3 -8 126.28 7.12
0 3 -8 110.55 6.93
0 -3 -8 111.93 4.33
0 3 -8 126.14 5.06
0 -3 -8 115.31 7.42
0 -3 9 12.08 3.87
0 3 -9 8.21 5.34
0 -3 -9 13.66 6.28
0 3 -9 12.06 3.83
0 3 -9 15.51 3.91
0 3 -9 8.55 5.60
0 -3 9 12.75 5.15
0 -3 -9 13.03 4.20
0 3 -10 50.92 4.76
0 3 -10 45.56 6.89
0 -3 10 53.99 4.97
0 -3 -10 52.84 5.26
0 3 -10 49.18 7.18
0 3 -10 53.72 5.04
0 -3 -11 19.33 5.53
0 3 -11 13.26 4.91
0 -3 -12 1.97 5.46
0 3 -12 4.82 4.81
0 4 0 238.89 3.28
0 -4 0 240.09 3.22
0 -4 0 234.06 3.06
0 4 0 248.99 3.13
0 4 -1 219.55 2.14
0 -4 -1 225.16 2.16
0 -4 -1 214.21 3.25
0 -4 -1 216.72 2.11
0 4 1 218.29 2.06
0 -4 1 220.07 2.12
0 4 1 221.80 2.15
0 -4 -1 213.77 3.55
0 -4 1 216.87 3.81
0 4 -1 214.32 3.76
0 -4 2 1217.86 25.86
0 -4 -2 1206.49 8.71
0 -4 -2 1208.21 9.04
0 -4 -2 1200.94 6.29
0 4 2 1207.09 22.88
0 4 -2 1240.11 29.23
0 4 -2 1224.10 9.45
0 4 2 1239.68 23.44
0 -4 -2 1231.87 24.17
0 -4 2 1201.97 9.40
0 -4 -2 1259.84 23.21
0 4 -2 1200.00 25.84
0 -4 -2 1275.48 24.21
0 -4 -3 124.18 2.97
0 -4 3 117.85 4.31
0 4 -3 125.76 2.73
0 4 3 128.32 3.06
0 -4 -3 122.52 3.25
0 -4 3 124.35 3.15
0 4 -3 121.06 3.76
0 -4 -3 125.80 3.17
0 4 -3 117.62 4.35
0 4 -3 123.71 3.18
0 -4 -3 121.54 4.45
0 -4 -4 0.96 2.93
0 -4 -4 3.71 2.02
0 -4 -4 5.16 1.57
0 4 -4 4.88 1.87
0 -4 4 2.58 2.90
0 4 -4 4.29 2.00
0 4 -4 2.46 2.46
0 -4 -4 2.36 2.00
0 4 4 2.30 1.46
0 4 4 4.86 1.91
0 -4 4 3.78 2.06
0 4 -4 2.00 2.67
0 -4 -4 2.81 2.17
0 -4 -5 28.65 2.91
0 -4 5 32.46 2.82
0 4 -5 27.25 3.82
0 4 -5 26.61 2.73
0 -4 -5 29.45 4.11
0 4 -5 29.73 2.41
0 -4 -5 27.32 2.88
0 4 5 26.10 2.75
0 4 -5 27.84 3.42
0 -4 -5 27.13 2.10
0 -4 5 28.48 3.89
0 4 5 27.94 2.02
0 -4 -6 664.71 8.50
0 4 6 682.04 6.80
0 4 -6 686.42 7.87
0 -4 -6 659.42 9.66
0 4 -6 683.61 8.26
0 -4 -6 688.86 12.36
0 4 6 688.91 9.81
0 -4 -6 665.41 6.76
0 4 -6 699.18 11.91
0 4 -6 708.25 11.44
0 -4 6 692.00 8.29
0 -4 6 682.85 11.85
0 4 -7 85.29 3.97
0 4 7 81.60 4.86
0 -4 -7 75.30 4.74
0 4 -7 77.85 5.96
0 -4 7 81.59 4.21
0 -4 7 76.31 5.81
0 -4 -7 82.88 4.39
0 4 -7 78.21 5.68
0 -4 -7 85.29 3.45
0 -4 -7 81.27 6.25
0 4 -7 84.02 4.27
0 -4 8 47.22 4.13
0 4 -8 44.13 5.74
0 -4 8 41.90 5.72
0 4 -8 49.43 4.17
0 4 -8 46.10 5.63
0 -4 -8 50.21 6.04
0 4 -8 50.23 3.92
0 -4 -8 49.18 4.26
0 4 -9 7.90 3.91
0 4 -9 10.23 5.47
0 -4 -9 13.52 4.20
0 4 -9 7.23 3.62
0 -4 9 10.58 3.91
0 -4 9 6.03 5.42
0 4 -9 4.58 5.10
0 -4 -9 8.08 6.05
0 -4 10 121.40 6.13
0 -4 -10 151.99 6.95
0 4 -10 139.27 6.14
0 4 -10 134.67 6.29
0 4 -10 104.95 8.61
0 4 -10 127.57 8.68
0 -4 10 112.25 8.50
0 -4 -11 -1.48 5.05
0 4 -11 -1.24 4.40
0 -4 -12 186.75 8.64
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10 -9 -1 115.49 6.08
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11 -8 -2 2.43 4.41
11 8 -2 2.44 5.30
-11 -8 2 0.77 5.36
11 -8 -1 5.39 4.86
11 8 -1 5.54 5.28
-11 8 1 3.57 4.37
-11 -8 1 6.58 5.37
-11 -8 0 12.75 5.75
11 -8 0 13.66 5.34
11 8 0 16.10 5.55
-11 8 0 11.16 4.96
-11 -8 0 15.46 5.94
-11 -8 -1 35.02 6.24
11 -8 1 35.86 6.16
11 8 1 40.57 6.61
-11 8 -1 38.36 5.63
-11 -8 -1 39.00 6.73
-11 -9 10 24.20 5.29
11 9 -10 24.52 5.80
11 9 -9 5.18 5.18
-11 -9 8 18.37 5.16
11 9 -8 19.50 5.48
-11 -9 7 152.55 7.26
11 9 -7 145.25 7.30
-11 -9 6 2.09 4.69
11 9 -6 3.09 4.85
-11 -9 5 115.96 6.64
11 9 -5 108.01 6.73
-11 -9 4 2.79 4.62
11 9 -4 2.64 4.86
11 9 -3 2.54 4.79
11 -9 -2 10.11 4.85
11 9 -2 10.22 5.52
-11 9 2 11.35 4.24
-11 -9 2 8.18 5.38
11 -9 -1 107.55 6.58
11 9 -1 108.21 7.49
-11 9 1 115.10 6.26
-11 -9 1 123.84 7.63
-11 -9 0 18.73 5.27
11 -9 0 17.75 5.30
11 9 0 16.60 6.19
-11 9 0 19.97 4.89
-11 -9 0 22.37 6.24
11 -9 1 7.92 5.64
-11 9 -1 4.80 4.90
-11 -10 10 14.96 5.47
11 10 -10 12.19 5.92
-11 -10 9 26.06 5.51
11 10 -9 17.93 5.59
-11 -10 8 14.50 5.42
11 10 -8 15.17 5.68
-11 -10 7 4.19 4.95
11 10 -7 1.92 5.22
-11 -10 6 26.74 5.48
11 10 -6 27.49 5.77
-11 -10 5 29.63 5.22
11 10 -5 37.34 5.49
-11 -10 4 21.29 5.14
11 10 -4 19.28 5.31
11 10 -3 25.83 5.83
11 -10 -2 24.53 5.00
11 10 -2 20.91 5.51
-11 -10 2 26.60 5.57
11 -10 -1 75.23 6.05
11 10 -1 82.12 6.92
-11 10 1 80.26 5.74
-11 -10 1 79.86 6.70
-11 -10 0 13.79 5.70
11 -10 0 9.80 5.36
11 10 0 8.83 5.75
-11 10 0 8.83 4.91
-11 -10 0 10.06 5.87
11 11 -10 5.52 5.57
-11 -11 9 35.72 5.90
11 11 -9 38.68 6.29
-11 -11 8 9.52 5.18
11 11 -8 9.38 5.39
-11 -11 7 5.48 5.33
11 11 -7 8.43 5.49
-11 -11 6 -0.74 4.97
-11 -11 5 1.83 5.25
11 11 -5 0.44 5.36
-11 -11 4 2.89 5.43
11 11 -4 5.54 5.59
11 11 -3 23.92 5.66
11 11 -2 0.77 5.80
-11 -11 2 1.09 5.76
11 -11 -1 5.69 4.97
11 11 -1 2.47 5.87
-11 -11 1 3.66 6.06
-11 -11 0 6.58 5.57
11 -11 0 5.52 5.24
11 11 0 11.71 6.52
-11 11 0 7.38 4.85
-11 -11 0 7.80 6.14
-11 -12 9 2.31 5.13
11 12 -9 4.14 5.43
-11 -12 8 89.71 6.68
11 12 -8 86.91 7.13
-11 -12 7 9.93 5.16
11 12 -7 14.81 5.56
-11 -12 6 54.90 6.13
11 12 -6 55.69 6.42
-11 -12 5 21.59 5.42
11 12 -5 25.88 5.55
-11 -12 4 112.51 7.05
11 12 -4 114.85 7.25
-11 -12 3 2.17 5.47
11 12 -3 5.08 5.48
11 12 -2 67.20 6.80
-11 -12 2 74.19 6.75
11 -12 -1 3.29 2.39
11 12 -1 18.99 6.17
-11 -12 1 18.21 6.15
-11 -12 0 5.60 5.35
11 -12 0 5.41 5.13
11 12 0 3.54 6.04
-11 12 0 3.01 4.69
-11 -12 0 5.34 6.10
-11 -13 9 -0.19 5.44
11 13 -9 3.09 5.68
-11 -13 8 48.72 6.07
11 13 -8 37.93 6.12
-11 -13 7 17.53 5.83
11 13 -7 15.83 5.91
-11 -13 6 1.77 5.17
11 13 -6 2.24 5.30
-11 -13 5 7.69 5.71
11 13 -5 8.02 5.71
-11 -13 4 16.72 5.96
11 13 -4 14.14 6.15
-11 -13 3 5.44 5.61
11 13 -3 7.75 5.87
11 13 -2 -1.48 6.18
-11 -13 2 -0.71 6.26
-11 -13 1 35.84 5.84
11 13 -1 30.12 6.86
-11 -13 1 34.14 7.00
11 -13 0 28.26 5.61
-11 -14 8 5.00 5.81
11 14 -8 5.88 6.00
-11 -14 7 32.34 6.05
11 14 -7 34.33 6.30
-11 -14 6 36.99 6.26
11 14 -6 38.30 6.49
-11 -14 5 5.82 5.40
11 14 -5 6.27 5.56
-11 -14 4 -0.38 5.39
11 14 -4 -0.10 5.51
-11 -14 3 2.84 5.91
11 14 -3 3.07 5.89
11 14 -2 8.49 6.02
-11 -14 2 12.22 6.28
-11 -14 1 5.25 5.32
11 14 -1 -1.27 6.13
-11 -14 1 4.72 6.32
-11 -15 7 38.79 6.01
11 15 -7 39.44 6.23
-11 -15 6 1.90 5.48
11 15 -6 2.35 5.57
-11 -15 5 36.70 6.15
11 15 -5 43.19 6.36
-11 -15 4 1.55 5.65
11 15 -4 4.14 5.71
-11 -15 3 83.93 7.36
11 15 -3 79.27 7.12
11 15 -2 38.52 7.03
-11 -15 2 41.65 6.51
-11 -16 7 3.92 5.51
11 16 -7 4.71 5.73
-11 -16 6 31.94 5.95
11 16 -6 30.65 6.11
-11 -16 5 4.64 6.00
11 16 -5 2.18 6.03
-11 -16 4 3.23 6.12
11 16 -4 7.84 6.30
-11 -16 3 0.32 5.82
11 16 -3 0.66 5.88
-11 -17 5 45.44 6.92
11 17 -5 44.05 6.98
-11 -17 4 3.03 6.22
11 17 -4 0.94 6.52
12 0 -6 26.44 5.08
-12 0 6 26.66 4.81
-12 0 5 0.50 4.31
12 0 -4 144.61 7.26
-12 0 4 162.97 7.21
12 0 -3 3.79 4.90
12 0 -2 5.61 5.21
-12 0 2 8.34 5.07
12 1 -7 11.44 4.90
12 -1 -6 -0.13 4.51
12 1 -6 2.37 4.69
-12 -1 6 2.16 4.35
12 -1 -5 3.01 4.76
12 1 -5 1.11 4.86
-12 1 5 1.37 4.41
-12 -1 5 4.98 4.65
12 -1 -4 47.37 5.54
12 1 -4 44.96 5.51
-12 1 4 55.14 5.50
-12 -1 4 45.25 5.39
-12 1 3 -1.22 4.65
-12 -1 3 -0.28 4.99
12 -1 -2 1.23 5.24
12 1 -2 0.00 5.38
-12 1 2 3.08 4.84
-12 -1 2 1.38 5.17
12 1 -1 -0.18 5.56
-12 1 1 1.47 5.14
-12 -1 1 -0.45 5.37
12 2 -7 58.50 5.72
12 2 -6 10.94 4.96
-12 -2 6 13.54 4.74
12 -2 -5 37.05 5.26
12 2 -5 29.31 5.17
-12 2 5 34.50 4.91
-12 -2 5 34.11 5.15
12 -2 -4 -0.35 4.86
-12 2 4 -0.01 4.47
-12 -2 4 2.79 4.81
12 -2 -3 1.02 4.79
12 2 -3 0.18 5.08
-12 2 3 2.75 4.44
-12 -2 3 1.67 4.82
12 -2 -2 54.69 6.09
12 2 -2 64.66 6.46
-12 2 2 65.31 6.06
-12 -2 2 63.65 6.21
12 -2 -1 -0.41 5.46
12 2 -1 6.43 5.87
-12 2 1 -0.45 5.30
12 3 -8 2.58 4.44
-12 -3 7 44.92 5.30
12 3 -7 40.57 5.59
12 3 -6 66.06 6.07
-12 -3 6 78.35 5.90
12 -3 -5 19.95 4.83
12 3 -5 23.99 5.35
-12 -3 5 24.66 5.25
12 -3 -4 0.70 4.72
12 3 -4 5.11 5.02
12 -3 -3 62.70 5.96
12 3 -3 62.42 6.04
-12 3 3 75.21 5.98
-12 -3 3 61.29 5.84
12 -3 -2 0.39 5.15
12 3 -2 1.44 5.16
-12 3 2 4.63 4.79
-12 -3 2 2.90 4.90
12 -3 -1 59.68 6.34
12 3 -1 68.72 6.85
-12 3 1 72.04 6.10
-12 -3 1 81.83 6.79
-12 -4 8 4.56 4.80
12 4 -8 18.15 5.20
-12 -4 7 2.83 4.53
12 4 -7 2.11 4.85
12 4 -6 10.24 5.03
12 4 -5 -0.69 5.22
-12 -4 5 0.80 4.74
12 -4 -4 8.10 4.88
12 4 -4 12.04 4.97
-12 4 4 10.94 4.57
-12 -4 4 12.53 4.90
12 -4 -3 12.65 5.32
12 4 -3 9.99 5.24
-12 4 3 8.53 4.57
-12 -4 3 11.65 5.18
12 -4 -2 37.26 5.57
12 4 -2 31.45 5.60
-12 4 2 32.88 5.19
-12 -4 2 29.83 5.42
12 -4 -1 3.80 5.55
12 4 -1 3.50 5.80
-12 4 1 2.43 5.18
-12 -5 8 11.05 5.05
12 5 -8 13.99 5.41
-12 -5 7 0.72 4.58
12 5 -7 0.93 4.94
-12 -5 6 78.01 6.02
12 5 -6 76.03 6.21
12 5 -5 66.61 6.20
-12 -5 5 74.45 6.06
12 -5 -4 -1.18 4.67
12 5 -4 -1.34 4.93
-12 -5 4 0.78 4.92
12 -5 -3 40.38 5.56
12 5 -3 42.09 5.82
-12 5 3 46.75 5.09
-12 -5 3 41.75 5.62
12 -5 -2 1.49 5.13
12 5 -2 0.50 5.02
-12 -5 2 1.10 5.16
12 -5 -1 15.25 5.61
-12 5 1 15.71 5.10
12 6 -9 56.83 6.29
-12 -6 8 23.38 4.95
12 6 -8 21.93 5.70
-12 -6 7 13.54 5.03
12 6 -7 12.61 5.38
-12 -6 6 26.81 5.36
12 6 -6 26.91 5.37
12 6 -5 5.77 5.12
12 6 -4 3.64 4.95
-12 -6 4 3.53 5.08
12 6 -3 44.09 5.80
12 -6 -3 31.64 5.33
-12 6 3 35.12 4.93
-12 -6 3 44.39 5.75
12 -6 -2 28.19 5.68
12 6 -2 31.81 5.84
-12 6 2 30.85 5.21
-12 -6 2 31.30 5.72
12 -6 -1 24.29 5.63
-12 6 1 20.05 5.21
-12 -7 9 23.68 5.08
12 7 -9 25.23 5.74
-12 -7 8 17.07 5.17
12 7 -8 18.54 5.80
-12 -7 7 61.28 5.95
12 7 -7 60.14 6.13
-12 -7 6 3.92 4.94
12 7 -6 0.72 5.05
12 7 -5 6.96 5.45
12 7 -4 12.59 5.36
-12 -7 4 12.96 5.09
12 -7 -3 2.28 4.87
12 7 -3 0.77 5.14
-12 -7 3 -0.35 5.13
12 -7 -2 6.82 5.26
12 7 -2 -0.83 5.55
-12 7 2 0.84 4.56
-12 -8 8 0.61 5.21
12 8 -8 0.75 5.56
-12 -8 7 2.34 4.80
12 8 -7 4.08 5.20
-12 -8 6 24.54 5.28
12 8 -6 25.21 5.63
-12 -8 5 4.38 5.30
12 8 -5 2.03 5.50
12 8 -4 79.02 6.64
-12 -8 4 77.13 6.38
12 8 -3 31.15 5.92
-12 -8 3 27.66 5.66
12 -8 -2 54.59 5.89
12 8 -2 51.36 6.73
-12 8 2 53.49 5.45
-12 -8 2 59.46 6.81
-12 -9 8 18.73 5.67
12 9 -8 21.35 6.08
-12 -9 7 -0.75 5.08
12 9 -7 -0.10 5.44
-12 -9 6 15.03 5.24
12 9 -6 14.45 5.69
-12 -9 5 44.34 6.10
12 9 -5 41.51 6.18
12 9 -4 3.27 5.72
-12 -9 4 2.11 5.61
12 9 -3 2.04 5.84
12 -9 -2 0.00 3.33
-12 -10 7 52.17 6.35
12 10 -7 52.30 6.65
-12 -10 6 8.56 5.74
12 10 -6 14.75 6.04
-12 -10 5 56.56 6.14
12 10 -5 56.17 6.32
12 10 -4 3.49 5.72
-12 -10 4 11.34 5.84
12 10 -3 -0.37 5.72
-12 -10 3 2.40 5.63
-12 -11 6 -0.54 5.36
12 11 -6 3.16 5.13
-12 -11 5 4.17 5.60
12 11 -5 2.31 5.85
12 11 -4 9.63 5.70
13 0 -6 2.48 4.81
13 1 -6 3.47 5.12
13 -1 -5 5.74 5.31
13 -2 -5 10.43 5.17
0 0 0 0.00 0.00
;
_shelx_hkl_checksum 97497
_shelx_res_file
;
TITL 1 in P2(1)/c
FERTIG.res
created by SHELXL-2016/6 at 13:18:00 on 17-Nov-2016
CELL 0.71073 7.3274 19.4495 7.8579 90.000 113.205 90.000
ZERR 2.00 0.0002 0.0004 0.0003 0.000 0.004 0.000
LATT 1
SYMM -X, 0.5+Y, 0.5-Z
SFAC N H F AG SN
UNIT 20 60 16 8 2
LIST 4 ! automatically inserted. Change 6 to 4 for CHECKCIF!!
L.S. 8
BOND $H
FMAP 2
EQIV $4 x-1, y, z
HTAB N1 F4_$4
EQIV $5 x-1, -y+1/2, z-1/2
HTAB N1 F4_$5
HTAB N1 F3_$4
EQIV $6 x, y, z+1
HTAB N2 F1_$6
EQIV $7 -x+1, -y, -z+2
HTAB N2 F3_$7
HTAB N2 F3
HTAB N2 F4
HTAB N3 F1_$4
EQIV $8 -x, -y, -z+1
HTAB N3 F2_$8
HTAB N3 F3_$7
EQIV $1 -x+1, -y, -z+1
HTAB N3 F1_$1
HTAB N4 F2
EQIV $9 x-1, y, z-1
HTAB N4 F4_$9
HTAB N4 F1_$4
HTAB N5 F4
EQIV $2 x, -y+1/2, z-1/2
HTAB N5 F4_$2
EQIV $3 x, -y+1/2, z+1/2
HTAB N5 F2_$3
PLAN 20
ACTA
TEMP -150
MPLA 3 N1 N2 N3 Ag1
BIND AG1 AG2
WGHT 0.021500
EXTI 0.002768
FVAR 0.19963
MOLE 1
SN1 5 0.500000 0.000000 0.500000 10.50000 0.01283 0.01077 =
0.01170 -0.00041 0.00600 -0.00057
F1 3 0.710153 0.048935 0.456447 11.00000 0.01938 0.02909 =
0.03144 0.00658 0.01387 -0.00559
F2 3 0.319828 0.077282 0.390367 11.00000 0.02067 0.01753 =
0.03190 0.00647 0.01099 0.00527
F3 3 0.585607 0.041041 0.747944 11.00000 0.03291 0.03137 =
0.01788 -0.00952 0.00984 -0.00381
AG1 4 0.160178 0.127783 0.952340 11.00000 0.01565 0.01867 =
0.01611 0.00184 0.00689 0.00126
N1 1 -0.136432 0.164674 0.881335 11.00000 0.01794 0.01661 =
0.01825 0.00052 0.00608 0.00210
H1A 2 -0.169547 0.178899 0.968003 11.00000 0.02889
H1B 2 -0.170693 0.200531 0.805362 11.00000 0.02830
H1C 2 -0.222026 0.128584 0.804604 11.00000 0.06977
N2 1 0.470846 0.101443 1.037342 11.00000 0.01754 0.01783 =
0.01597 -0.00065 0.00525 0.00000
H2A 2 0.508706 0.070055 1.131413 11.00000 0.02140
H2B 2 0.485259 0.081150 0.935266 11.00000 0.04094
H2C 2 0.556968 0.131621 1.084466 11.00000 0.04381
N3 1 0.091108 0.003062 0.829065 11.00000 0.02060 0.02359 =
0.03457 -0.00678 0.00629 0.00014
H3A 2 -0.030838 -0.005002 0.750910 11.00000 0.04599
H3B 2 0.149400 -0.018057 0.919805 11.00000 0.04280
H3C 2 0.132811 -0.005908 0.736646 11.00000 0.04323
AG2 4 0.233944 0.222582 0.674970 11.00000 0.01614 0.01801 =
0.01510 0.00066 0.00505 -0.00111
N4 1 0.029206 0.154068 0.485869 11.00000 0.01838 0.01744 =
0.01942 0.00121 0.00354 -0.00100
H4A 2 0.111471 0.125700 0.459113 11.00000 0.03295
H4B 2 -0.051657 0.175690 0.395698 11.00000 0.03400
H4C 2 -0.034136 0.128817 0.519848 11.00000 0.03288
N5 1 0.473311 0.282920 0.853909 11.00000 0.01687 0.01731 =
0.01612 0.00108 0.00656 0.00033
H5A 2 0.543378 0.261657 0.972713 11.00000 0.03278
H5B 2 0.562248 0.288313 0.793291 11.00000 0.01969
H5C 2 0.438616 0.324831 0.890560 11.00000 0.05184
F4 3 0.742836 0.212903 1.168241 11.00000 0.01763 0.02000 =
0.01428 -0.00151 0.00509 -0.00033
HKLF 4
REM 1 in P2(1)/c
REM R1 = 0.0201 for 4330 Fo > 4sig(Fo) and 0.0355 for all 5731 data
REM 167 parameters refined using 0 restraints
END
WGHT 0.0215 0.0000
REM Highest difference peak 1.044, deepest hole -0.930, 1-sigma level 0.165
Q1 1 0.1466 0.0990 0.9980 11.00000 0.05 1.04
Q2 1 0.4916 0.0285 0.5475 11.00000 0.05 1.00
Q3 1 0.1644 0.1606 0.8991 11.00000 0.05 0.89
Q4 1 0.2146 0.1285 0.8681 11.00000 0.05 0.84
Q5 1 0.3017 0.2213 0.6001 11.00000 0.05 0.83
Q6 1 0.1603 0.1587 1.0193 11.00000 0.05 0.82
Q7 1 0.4982 0.0286 0.4491 11.00000 0.05 0.81
Q8 1 0.2193 0.1940 0.7431 11.00000 0.05 0.81
Q9 1 0.1264 0.1898 0.6379 11.00000 0.05 0.78
Q10 1 0.1577 0.0985 0.9035 11.00000 0.05 0.76
Q11 1 0.5979 0.0433 0.4426 11.00000 0.05 0.74
Q12 1 0.2416 0.2512 0.6251 11.00000 0.05 0.74
Q13 1 0.6006 -0.0026 0.5563 11.00000 0.05 0.73
Q14 1 0.0964 0.1294 1.0415 11.00000 0.05 0.71
Q15 1 0.2240 0.1752 0.9756 11.00000 0.05 0.71
Q16 1 0.5675 0.0962 1.2192 11.00000 0.05 0.70
Q17 1 0.2256 0.2555 0.7183 11.00000 0.05 0.68
Q18 1 0.6778 0.0642 0.5228 11.00000 0.05 0.66
Q19 1 0.2427 0.1920 0.6485 11.00000 0.05 0.65
Q20 1 0.5619 0.0028 0.4170 11.00000 0.05 0.61
;
_shelx_res_checksum 53972
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
Sn SN1 0.500000 0.000000 0.500000 0.01140(3) Uani d 1
F F1 0.71015(17) 0.04893(6) 0.45645(18) 0.0254(3) Uani d 1
F F2 0.31983(17) 0.07728(6) 0.39037(17) 0.0232(2) Uani d 1
F F3 0.58561(19) 0.04104(7) 0.74794(16) 0.0274(3) Uani d 1
Ag AG1 0.16018(2) 0.12778(2) 0.95234(2) 0.01661(3) Uani d 1
N N1 -0.1364(2) 0.16467(9) 0.8813(2) 0.0179(3) Uani d 1
H H1A -0.170(4) 0.1789(14) 0.968(4) 0.029(7) Uiso d 1
H H1B -0.171(4) 0.2005(14) 0.805(4) 0.028(7) Uiso d 1
H H1C -0.222(5) 0.1286(19) 0.805(5) 0.070(11) Uiso d 1
N N2 0.4708(2) 0.10144(9) 1.0373(2) 0.0175(3) Uani d 1
H H2A 0.509(4) 0.0701(13) 1.131(3) 0.021(6) Uiso d 1
H H2B 0.485(4) 0.0811(15) 0.935(4) 0.041(8) Uiso d 1
H H2C 0.557(5) 0.1316(16) 1.084(4) 0.044(9) Uiso d 1
N N3 0.0911(3) 0.00306(10) 0.8291(3) 0.0277(4) Uani d 1
H H3A -0.031(5) -0.0050(15) 0.751(5) 0.046(9) Uiso d 1
H H3B 0.149(5) -0.0181(16) 0.920(5) 0.043(9) Uiso d 1
H H3C 0.133(5) -0.0059(15) 0.737(4) 0.043(9) Uiso d 1
Ag AG2 0.23394(2) 0.22258(2) 0.67497(2) 0.01676(3) Uani d 1
N N4 0.0292(3) 0.15407(9) 0.4859(2) 0.0196(3) Uani d 1
H H4A 0.111(4) 0.1257(14) 0.459(4) 0.033(7) Uiso d 1
H H4B -0.052(4) 0.1757(14) 0.396(4) 0.034(7) Uiso d 1
H H4C -0.034(4) 0.1288(15) 0.520(4) 0.033(8) Uiso d 1
N N5 0.4733(2) 0.28292(9) 0.8539(2) 0.0167(3) Uani d 1
H H5A 0.543(4) 0.2617(14) 0.973(4) 0.033(7) Uiso d 1
H H5B 0.562(4) 0.2883(12) 0.793(3) 0.020(6) Uiso d 1
H H5C 0.439(5) 0.3248(17) 0.891(4) 0.052(9) Uiso d 1
F F4 0.74284(16) 0.21290(6) 1.16824(14) 0.0177(2) Uani d 1
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
SN1 0.01283(6) 0.01077(7) 0.01170(7) -0.00057(5) 0.00600(5) -0.00041(5)
F1 0.0194(5) 0.0291(7) 0.0314(6) -0.0056(5) 0.0139(5) 0.0066(5)
F2 0.0207(5) 0.0175(5) 0.0319(6) 0.0053(4) 0.0110(5) 0.0065(5)
F3 0.0329(6) 0.0314(7) 0.0179(5) -0.0038(5) 0.0098(5) -0.0095(5)
AG1 0.01565(5) 0.01867(7) 0.01611(6) 0.00126(5) 0.00689(4) 0.00184(5)
N1 0.0179(7) 0.0166(7) 0.0183(7) 0.0021(6) 0.0061(6) 0.0005(6)
N2 0.0175(6) 0.0178(7) 0.0160(7) 0.0000(6) 0.0053(5) -0.0007(6)
N3 0.0206(8) 0.0236(9) 0.0346(10) 0.0001(7) 0.0063(8) -0.0068(8)
AG2 0.01614(6) 0.01801(7) 0.01510(6) -0.00111(5) 0.00505(4) 0.00066(4)
N4 0.0184(7) 0.0174(8) 0.0194(7) -0.0010(6) 0.0035(6) 0.0012(6)
N5 0.0169(6) 0.0173(7) 0.0161(7) 0.0003(5) 0.0066(5) 0.0011(5)
F4 0.0176(5) 0.0200(5) 0.0143(5) -0.0003(4) 0.0051(4) -0.0015(4)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
N N 0.0061 0.0033 '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'
F F 0.0171 0.0103 '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'
Sn Sn -0.6537 1.4246 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
F1 Sn1 F1 3_656 . 180.0
F1 Sn1 F2 3_656 . 90.56(5)
F1 Sn1 F2 . . 89.44(5)
F1 Sn1 F2 3_656 3_656 89.44(5)
F1 Sn1 F2 . 3_656 90.56(5)
F2 Sn1 F2 . 3_656 180.0
F1 Sn1 F3 3_656 3_656 90.58(6)
F1 Sn1 F3 . 3_656 89.42(6)
F2 Sn1 F3 . 3_656 88.80(5)
F2 Sn1 F3 3_656 3_656 91.19(5)
F1 Sn1 F3 3_656 . 89.42(6)
F1 Sn1 F3 . . 90.58(6)
F2 Sn1 F3 . . 91.19(5)
F2 Sn1 F3 3_656 . 88.81(5)
F3 Sn1 F3 3_656 . 180.0
N1 Ag1 N2 . . 173.74(7)
N1 Ag1 N3 . . 100.82(6)
N2 Ag1 N3 . . 85.44(6)
N1 Ag1 Ag2 . . 93.35(5)
N2 Ag1 Ag2 . . 84.44(5)
N3 Ag1 Ag2 . . 111.20(6)
N1 Ag1 Ag2 . 4_566 77.42(5)
N2 Ag1 Ag2 . 4_566 96.40(5)
N3 Ag1 Ag2 . 4_566 169.75(6)
Ag2 Ag1 Ag2 . 4_566 79.041(4)
Ag1 N1 H1A . . 118.6(17)
Ag1 N1 H1B . . 115.3(18)
H1A N1 H1B . . 101(2)
Ag1 N1 H1C . . 105(2)
H1A N1 H1C . . 114(3)
H1B N1 H1C . . 102(3)
Ag1 N2 H2A . . 110.8(15)
Ag1 N2 H2B . . 107.2(17)
H2A N2 H2B . . 108(2)
Ag1 N2 H2C . . 119(2)
H2A N2 H2C . . 100(2)
H2B N2 H2C . . 111(3)
Ag1 N3 H3A . . 115(2)
Ag1 N3 H3B . . 101(2)
H3A N3 H3B . . 126(3)
Ag1 N3 H3C . . 113.7(19)
H3A N3 H3C . . 89(3)
H3B N3 H3C . . 113(3)
N4 Ag2 N5 . . 170.93(7)
N4 Ag2 Ag1 . . 81.11(5)
N5 Ag2 Ag1 . . 101.15(5)
N4 Ag2 Ag1 . 4_565 104.96(5)
N5 Ag2 Ag1 . 4_565 77.58(4)
Ag1 Ag2 Ag1 . 4_565 149.685(7)
Ag2 N4 H4A . . 101.3(17)
Ag2 N4 H4B . . 110.4(19)
H4A N4 H4B . . 115(3)
Ag2 N4 H4C . . 120(2)
H4A N4 H4C . . 104(3)
H4B N4 H4C . . 107(3)
Ag2 N5 H5A . . 113.0(16)
Ag2 N5 H5B . . 106.2(14)
H5A N5 H5B . . 109(2)
Ag2 N5 H5C . . 115.7(19)
H5A N5 H5C . . 100(2)
H5B N5 H5C . . 112(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Sn1 F1 3_656 1.9518(11)
Sn1 F1 . 1.9518(11)
Sn1 F2 . 1.9617(11)
Sn1 F2 3_656 1.9617(11)
Sn1 F3 3_656 1.9655(11)
Sn1 F3 . 1.9656(11)
Ag1 N1 . 2.1434(16)
Ag1 N2 . 2.1662(16)
Ag1 N3 . 2.5870(19)
Ag1 Ag2 . 3.0611(2)
Ag1 Ag2 4_566 3.3283(2)
N1 H1A . 0.85(3)
N1 H1B . 0.89(3)
N1 H1C . 0.98(4)
N2 H2A . 0.91(3)
N2 H2B . 0.94(3)
N2 H2C . 0.83(3)
N3 H3A . 0.88(3)
N3 H3B . 0.79(3)
N3 H3C . 0.91(3)
Ag2 N4 . 2.1160(16)
Ag2 N5 . 2.1183(16)
N4 H4A . 0.90(3)
N4 H4B . 0.84(3)
N4 H4C . 0.79(3)
N5 H5A . 0.96(3)
N5 H5B . 0.95(3)
N5 H5C . 0.93(3)
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_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
N1 H1A F4 1_455 0.85(3) 2.03(3) 2.884(2) 178(2)
N1 H1B F4 4_465 0.89(3) 1.96(3) 2.844(2) 171(3)
N1 H1C F3 1_455 0.98(4) 2.14(4) 3.057(2) 156(3)
N2 H2A F1 1_556 0.91(3) 2.43(3) 3.227(2) 146(2)
N2 H2A F3 3_657 0.91(3) 2.56(3) 3.354(2) 145.4(19)
N2 H2B F3 . 0.94(3) 2.04(3) 2.961(2) 167(3)
N2 H2C F4 . 0.83(3) 2.02(3) 2.849(2) 172(3)
N3 H3A F1 1_455 0.88(3) 2.57(3) 3.274(2) 138(3)
N3 H3A F2 3_556 0.88(3) 2.42(3) 3.223(2) 153(3)
N3 H3B F3 3_657 0.79(3) 2.61(3) 3.345(3) 157(3)
N3 H3C F1 3_656 0.91(3) 2.39(3) 3.279(3) 167(3)
N4 H4A F2 . 0.90(3) 2.04(3) 2.930(2) 170(2)
N4 H4B F4 1_454 0.84(3) 1.97(3) 2.7955(19) 171(3)
N4 H4C F1 1_455 0.79(3) 2.33(3) 3.045(2) 151(3)
N5 H5A F4 . 0.96(3) 1.90(3) 2.8305(19) 160(3)
N5 H5B F4 4_565 0.95(3) 1.93(3) 2.882(2) 173(2)
N5 H5C F2 4_566 0.93(3) 2.09(3) 2.999(2) 163(3)
_cod_database_fobs_code 2241965