#------------------------------------------------------------------------------
#$Date: 2016-03-26 18:02:58 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180409 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/78/7207849.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_7207849
loop_
_publ_author_name
'Qiao, Yong-Zhen'
'Fu, Wen-Zhen'
'Yue, Jun-Ming'
'Liu, Xiu-Cun'
'Niu, Yun-Yin'
'Hou, Hong-Wei'
_publ_section_title
;
 Role of cooperative templates in the self-assembly process of microporous
 structures: syntheses and characterization of 12 new silver
 halide/thiocyanate supramolecular polymers
;
_journal_issue                   9
_journal_name_full               CrystEngComm
_journal_page_first              3241
_journal_paper_doi               10.1039/c2ce06687d
_journal_volume                  14
_journal_year                    2012
_chemical_formula_moiety         '0.5(Ag8 I12), C20 H30 N2'
_chemical_formula_sum            'C20 H30 Ag4 I6 N2'
_chemical_formula_weight         1491.34
_chemical_name_systematic
;
?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2011-09-13
_audit_creation_method
;
Olex2 1.1
(compiled 2011.09.07 svn.r1971, GUI svn.r3853)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 132.716(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.2976(14)
_cell_length_b                   18.9067(6)
_cell_length_c                   13.4284(9)
_cell_measurement_reflns_used    2357
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      26.3106
_cell_measurement_theta_min      3.0365
_cell_volume                     3413.2(8)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug 3 2011,13:03:54)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug 3 2011,13:03:54)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug 3 2011,13:03:54)
;
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
SHELXL, G.M. Sheldrick, Acta Cryst.
2008). A64, 112-122
;
_computing_structure_solution
;
SHELXS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_diffrn_ambient_temperature      291.15
_diffrn_detector_area_resol_mean 16.2542
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details
;
1 omega -53.00 89.00 1.0000 5.4100
omega____ theta____ kappa____ phi______ frames
- 18.4204 0.0000 -120.0000 142

2 omega 7.00 37.00 1.0000 5.4100
omega____ theta____ kappa____ phi______ frames
- 18.4204 61.0000 -37.0000 30

3 omega -10.00 16.00 1.0000 5.4100
omega____ theta____ kappa____ phi______ frames
- -19.0454 -99.0000 30.0000 26

4 omega -32.00 -7.00 1.0000 5.4100
omega____ theta____ kappa____ phi______ frames
- -19.0454 -77.0000 -120.0000 25

5 omega -16.00 21.00 1.0000 5.4100
omega____ theta____ kappa____ phi______ frames
- -19.0454 -99.0000 60.0000 37
;
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0033609000
_diffrn_orient_matrix_UB_12      0.0351421000
_diffrn_orient_matrix_UB_13      -0.0150870000
_diffrn_orient_matrix_UB_21      0.0526496000
_diffrn_orient_matrix_UB_22      -0.0024700000
_diffrn_orient_matrix_UB_23      0.0489568000
_diffrn_orient_matrix_UB_31      -0.0009284000
_diffrn_orient_matrix_UB_32      -0.0129142000
_diffrn_orient_matrix_UB_33      -0.0504336000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0243
_diffrn_reflns_av_unetI/netI     0.0329
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8218
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         3.04
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_source_current           n/a
_diffrn_source_voltage           n/a
_exptl_absorpt_coefficient_mu    7.701
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.51381
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug 3 2011,13:03:54)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.902
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2680
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.978
_refine_diff_density_min         -1.538
_refine_diff_density_rms         0.164
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     154
_refine_ls_number_reflns         3595
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0615
_refine_ls_R_factor_gt           0.0427
_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)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1359
_refine_ls_wR_factor_ref         0.1530
_reflns_number_gt                2712
_reflns_number_total             3595
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce06687d.txt
_cod_data_source_block           zzuli110902b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_hydrogen_treatment' value 'CONSTR' changed to 'constr'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        3413.2(4)
_cod_database_code               7207849
#BEGIN Tags that were not found in dictionaries:
_chemical_oxdiff_formula         'C H O N Ag I Br'
_chemical_oxdiff_usercomment     NYY-05-01
_reflns_odcompleteness_completeness 99.69
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
#END Tags that were not found in dictionaries
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y, -z'
3 'x+1/2, y+1/2, z'
4 '-x+1/2, y+1/2, -z'
5 '-x, -y, -z'
6 'x, -y, z'
7 '-x+1/2, -y+1/2, -z'
8 'x+1/2, -y+1/2, 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
Ag1 Ag 0.41613(10) 0.5000 0.28531(14) 0.0820(4) Uani 1 2 d S
Ag2 Ag 0.64081(10) 0.5000 0.48657(12) 0.0821(4) Uani 1 2 d S
Ag3 Ag 0.52414(7) 0.41767(5) 0.16050(9) 0.0808(3) Uani 1 1 d .
C1 C 0.7221(9) 0.2873(6) 0.7530(13) 0.094(4) Uani 1 1 d .
H1 H 0.7152 0.3249 0.7025 0.113 Uiso 1 1 calc R
C2 C 0.7319(10) 0.3006(6) 0.8620(13) 0.096(4) Uani 1 1 d .
H2 H 0.7312 0.3468 0.8850 0.115 Uiso 1 1 calc R
C3 C 0.7432(7) 0.2437(5) 0.9384(11) 0.072(3) Uani 1 1 d .
C4 C 0.7483(10) 0.1784(6) 0.9062(17) 0.094(4) Uani 1 1 d .
H4 H 0.7586 0.1401 0.9580 0.113 Uiso 1 1 calc R
C5 C 0.7384(10) 0.1675(6) 0.7959(16) 0.097(4) Uani 1 1 d .
H5 H 0.7429 0.1219 0.7744 0.117 Uiso 1 1 calc R
C6 C 0.7104(8) 0.2081(7) 0.5992(13) 0.089(4) Uani 1 1 d .
H6A H 0.7657 0.1794 0.6277 0.107 Uiso 1 1 calc R
H6B H 0.7126 0.2526 0.5654 0.107 Uiso 1 1 calc R
C7 C 0.6142(10) 0.1706(7) 0.4861(15) 0.097(4) Uani 1 1 d .
H7A H 0.6131 0.1247 0.5171 0.116 Uiso 1 1 calc R
H7B H 0.5584 0.1980 0.4594 0.116 Uiso 1 1 calc R
C8 C 0.6053(10) 0.1619(8) 0.3686(18) 0.119(6) Uani 1 1 d D
H8A H 0.6630 0.1371 0.3962 0.142 Uiso 1 1 calc R
H8B H 0.6016 0.2078 0.3332 0.142 Uiso 1 1 calc R
C9 C 0.5106(15) 0.1193(14) 0.259(2) 0.181(9) Uani 1 1 d DU
H9A H 0.5159 0.0729 0.2944 0.217 Uiso 1 1 calc R
H9B H 0.4537 0.1432 0.2358 0.217 Uiso 1 1 calc R
C10 C 0.4951(19) 0.1115(15) 0.137(2) 0.202(10) Uani 1 1 d DU
H10A H 0.4372 0.0830 0.0714 0.303 Uiso 1 1 calc R
H10B H 0.5521 0.0891 0.1603 0.303 Uiso 1 1 calc R
H10C H 0.4858 0.1573 0.0987 0.303 Uiso 1 1 calc R
I1 I 0.24477(7) 0.5000 0.23896(8) 0.0626(3) Uani 1 2 d S
I2 I 0.52748(5) 0.36958(3) 0.37086(6) 0.0598(2) Uani 1 1 d .
I3 I 0.70590(6) 0.5000 0.33974(8) 0.0531(2) Uani 1 2 d S
I4 I 0.34541(7) 0.5000 0.00942(8) 0.0593(3) Uani 1 2 d S
I5 I 0.5000 0.31107(5) 0.0000 0.0594(3) Uani 1 2 d S
N1 N 0.7222(7) 0.2223(5) 0.7189(11) 0.082(3) 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'
I I -0.4742 1.8119 '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
I1 Ag1 Ag2 148.49(6) . .
I1 Ag1 I2 118.50(3) . 6_565
I1 Ag1 I2 118.50(3) . .
I1 Ag1 I4 104.56(5) . .
I2 Ag1 Ag2 58.71(3) 6_565 .
I2 Ag1 Ag2 58.71(3) . .
I2 Ag1 I2 116.87(5) 6_565 .
I2 Ag1 I4 95.08(4) 6_565 .
I2 Ag1 I4 95.08(4) . .
I4 Ag1 Ag2 106.95(5) . .
I1 Ag2 Ag1 122.54(6) 5_666 .
I1 Ag2 I2 109.68(3) 5_666 6_565
I1 Ag2 I2 109.68(3) 5_666 .
I1 Ag2 I3 128.35(6) 5_666 .
I2 Ag2 Ag1 58.45(3) 6_565 .
I2 Ag2 Ag1 58.45(3) . .
I2 Ag2 I2 116.34(5) . 6_565
I2 Ag2 I3 96.27(3) . .
I2 Ag2 I3 96.27(3) 6_565 .
I3 Ag2 Ag1 109.11(5) . .
I2 Ag3 Ag3 108.09(2) . 6_565
I3 Ag3 Ag3 57.55(2) . 6_565
I3 Ag3 I2 95.99(3) . .
I4 Ag3 Ag3 57.14(2) . 6_565
I4 Ag3 I2 96.80(4) . .
I4 Ag3 I3 114.26(4) . .
I5 Ag3 Ag3 136.93(2) . 6_565
I5 Ag3 I2 114.48(4) . .
I5 Ag3 I3 121.73(4) . .
I5 Ag3 I4 110.02(4) . .
C2 C1 H1 119.5 . .
N1 C1 H1 119.5 . .
N1 C1 C2 120.9(12) . .
C1 C2 H2 120.4 . .
C1 C2 C3 119.2(11) . .
C3 C2 H2 120.4 . .
C2 C3 C3 120.9(12) . 7_657
C4 C3 C2 118.8(12) . .
C4 C3 C3 120.2(12) . 7_657
C3 C4 H4 120.0 . .
C3 C4 C5 119.9(11) . .
C5 C4 H4 120.0 . .
C4 C5 H5 119.7 . .
N1 C5 C4 120.6(11) . .
N1 C5 H5 119.7 . .
H6A C6 H6B 107.8 . .
C7 C6 H6A 109.1 . .
C7 C6 H6B 109.1 . .
N1 C6 H6A 109.1 . .
N1 C6 H6B 109.1 . .
N1 C6 C7 112.7(11) . .
C6 C7 H7A 109.8 . .
C6 C7 H7B 109.8 . .
H7A C7 H7B 108.2 . .
C8 C7 C6 109.6(12) . .
C8 C7 H7A 109.8 . .
C8 C7 H7B 109.8 . .
C7 C8 H8A 110.0 . .
C7 C8 H8B 110.0 . .
C7 C8 C9 108.4(14) . .
H8A C8 H8B 108.4 . .
C9 C8 H8A 110.0 . .
C9 C8 H8B 110.0 . .
C8 C9 H9A 109.4 . .
C8 C9 H9B 109.4 . .
H9A C9 H9B 108.0 . .
C10 C9 C8 111.0(19) . .
C10 C9 H9A 109.4 . .
C10 C9 H9B 109.4 . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10B 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
Ag2 I1 Ag1 88.97(5) 5_666 .
Ag1 I2 Ag2 62.84(4) . .
Ag1 I2 Ag3 78.71(4) . .
Ag2 I2 Ag3 78.02(3) . .
Ag3 I3 Ag2 78.26(4) . .
Ag3 I3 Ag2 78.27(4) 6_565 .
Ag3 I3 Ag3 64.90(4) 6_565 .
Ag3 I4 Ag1 78.21(4) 6_565 .
Ag3 I4 Ag1 78.21(4) . .
Ag3 I4 Ag3 65.71(5) 6_565 .
Ag3 I5 Ag3 86.13(5) 2_655 .
C1 N1 C5 120.3(13) . .
C1 N1 C6 120.7(11) . .
C5 N1 C6 118.9(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 Ag2 3.0217(19) .
Ag1 I1 2.7516(16) .
Ag1 I2 2.8940(9) .
Ag1 I2 2.8940(9) 6_565
Ag1 I4 2.9825(16) .
Ag2 I1 2.7384(15) 5_666
Ag2 I2 2.9022(10) .
Ag2 I2 2.9023(10) 6_565
Ag2 I3 2.9141(15) .
Ag3 Ag3 3.1132(19) 6_565
Ag3 I2 2.9283(12) .
Ag3 I3 2.9012(12) .
Ag3 I4 2.8692(13) .
Ag3 I5 2.7588(11) .
C1 H1 0.9300 .
C1 C2 1.371(19) .
C1 N1 1.311(15) .
C2 H2 0.9300 .
C2 C3 1.401(16) .
C3 C3 1.52(2) 7_657
C3 C4 1.334(16) .
C4 H4 0.9300 .
C4 C5 1.38(2) .
C5 H5 0.9300 .
C5 N1 1.347(14) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C6 C7 1.510(18) .
C6 N1 1.494(17) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C7 C8 1.48(2) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C8 C9 1.535(16) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C9 C10 1.474(16) .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
I1 Ag2 2.7384(15) 5_666
I3 Ag3 2.9011(12) 6_565
I4 Ag3 2.8692(13) 6_565
I5 Ag3 2.7588(11) 2_655
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_4
Ag1 Ag2 I2 Ag3 83.33(4) . .
Ag1 Ag2 I3 Ag3 33.23(2) . 6_565
Ag1 Ag2 I3 Ag3 -33.23(2) . .
Ag2 Ag1 I1 Ag2 0.0 . 5_666
Ag2 Ag1 I2 Ag3 -82.22(4) . .
Ag2 Ag1 I4 Ag3 33.66(2) . .
Ag2 Ag1 I4 Ag3 -33.66(2) . 6_565
Ag3 Ag3 I2 Ag1 31.92(3) 6_565 .
Ag3 Ag3 I2 Ag2 -32.39(3) 6_565 .
Ag3 Ag3 I3 Ag2 82.41(2) 6_565 .
Ag3 Ag3 I4 Ag1 -82.25(2) 6_565 .
Ag3 Ag3 I5 Ag3 0.0 6_565 2_655
C1 C2 C3 C3 178.5(13) . 7_657
C1 C2 C3 C4 2.9(19) . .
C2 C1 N1 C5 -4(2) . .
C2 C1 N1 C6 179.4(11) . .
C2 C3 C4 C5 -3(2) . .
C3 C3 C4 C5 -178.4(12) 7_657 .
C3 C4 C5 N1 -1(2) . .
C4 C5 N1 C1 4.4(19) . .
C4 C5 N1 C6 -179.2(11) . .
C6 C7 C8 C9 176.2(14) . .
C7 C6 N1 C1 -113.5(13) . .
C7 C6 N1 C5 70.1(14) . .
C7 C8 C9 C10 177.5(19) . .
I1 Ag1 Ag2 I1 0.0 . 5_666
I1 Ag1 Ag2 I2 94.42(3) . .
I1 Ag1 Ag2 I2 -94.42(3) . 6_565
I1 Ag1 Ag2 I3 180.0 . .
I1 Ag1 I2 Ag2 -143.63(7) . .
I1 Ag1 I2 Ag3 134.15(6) . .
I1 Ag1 I4 Ag3 146.34(2) . 6_565
I1 Ag1 I4 Ag3 -146.34(2) . .
I1 Ag2 I2 Ag1 116.79(6) 5_666 .
I1 Ag2 I2 Ag3 -159.88(5) 5_666 .
I1 Ag2 I3 Ag3 -146.77(2) 5_666 6_565
I1 Ag2 I3 Ag3 146.77(2) 5_666 .
I2 Ag1 Ag2 I1 -94.42(3) . 5_666
I2 Ag1 Ag2 I1 94.42(3) 6_565 5_666
I2 Ag1 Ag2 I2 171.16(5) . 6_565
I2 Ag1 Ag2 I2 -171.16(5) 6_565 .
I2 Ag1 Ag2 I3 -85.58(3) 6_565 .
I2 Ag1 Ag2 I3 85.58(3) . .
I2 Ag1 I1 Ag2 -75.82(5) 6_565 5_666
I2 Ag1 I1 Ag2 75.82(5) . 5_666
I2 Ag1 I2 Ag2 8.46(5) 6_565 .
I2 Ag1 I2 Ag3 -73.75(6) 6_565 .
I2 Ag1 I4 Ag3 -25.14(3) . .
I2 Ag1 I4 Ag3 92.46(4) 6_565 .
I2 Ag1 I4 Ag3 25.15(3) 6_565 6_565
I2 Ag1 I4 Ag3 -92.46(4) . 6_565
I2 Ag2 I2 Ag1 -8.40(5) 6_565 .
I2 Ag2 I2 Ag3 74.93(5) 6_565 .
I2 Ag2 I3 Ag3 -25.50(3) 6_565 6_565
I2 Ag2 I3 Ag3 91.96(4) . 6_565
I2 Ag2 I3 Ag3 25.50(3) . .
I2 Ag2 I3 Ag3 -91.96(4) 6_565 .
I2 Ag3 I3 Ag2 -25.24(3) . .
I2 Ag3 I3 Ag3 -107.65(3) . 6_565
I2 Ag3 I4 Ag1 24.91(3) . .
I2 Ag3 I4 Ag3 107.17(3) . 6_565
I2 Ag3 I5 Ag3 170.60(5) . 2_655
I3 Ag2 I2 Ag1 -108.60(5) . .
I3 Ag2 I2 Ag3 -25.27(3) . .
I3 Ag3 I2 Ag1 89.69(4) . .
I3 Ag3 I2 Ag2 25.38(3) . .
I3 Ag3 I4 Ag1 -74.81(4) . .
I3 Ag3 I4 Ag3 7.44(5) . 6_565
I3 Ag3 I5 Ag3 -74.80(4) . 2_655
I4 Ag1 Ag2 I1 180.0 . 5_666
I4 Ag1 Ag2 I2 85.58(3) . 6_565
I4 Ag1 Ag2 I2 -85.58(3) . .
I4 Ag1 Ag2 I3 0.0 . .
I4 Ag1 I1 Ag2 180.0 . 5_666
I4 Ag1 I2 Ag2 106.77(4) . .
I4 Ag1 I2 Ag3 24.56(3) . .
I4 Ag3 I2 Ag1 -25.68(3) . .
I4 Ag3 I2 Ag2 -89.99(4) . .
I4 Ag3 I3 Ag2 75.01(4) . .
I4 Ag3 I3 Ag3 -7.41(5) . 6_565
I4 Ag3 I5 Ag3 62.88(3) . 2_655
I5 Ag3 I2 Ag1 -141.35(4) . .
I5 Ag3 I2 Ag2 154.34(4) . .
I5 Ag3 I3 Ag2 -148.93(4) . .
I5 Ag3 I3 Ag3 128.66(3) . 6_565
I5 Ag3 I4 Ag1 144.09(4) . .
I5 Ag3 I4 Ag3 -133.65(3) . 6_565
N1 C1 C2 C3 1(2) . .
N1 C6 C7 C8 176.9(10) . .
