#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:58:19 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179736 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/32/7003225.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_7003225
loop_
_publ_author_name
'Huang, Yong-Qing'
'Shen, Zhong-Liang'
'Okamura, Taka-aki'
'Wang, Yan'
'Wang, Xiao-Feng'
'Sun, Wei-Yin'
'Yu, Jin-Quan'
'Ueyama, Norikazu'
_publ_section_title
;
 Silver(i) complexes with oxazoline-containing tripodal ligands:
 structure variation via counter anions and reaction conditions
;
_journal_issue                   2
_journal_name_full               'Dalton Transactions'
_journal_page_first              204
_journal_page_last               213
_journal_paper_doi               10.1039/b714502k
_journal_year                    2008
_chemical_formula_moiety         'C30 H30 Ag2 Cl2 N6 O14 '
_chemical_formula_sum            'C30 H30 Ag2 Cl2 N6 O14'
_chemical_formula_weight         985.24
_chemical_name_common            (Ag2(L)2)(ClO4)2
_chemical_name_systematic
;
[Ag2(L)2](ClO4)2
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             'Sat Apr 30 09:11:18 2005'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.670(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.177(3)
_cell_length_b                   17.872(4)
_cell_length_c                   14.392(4)
_cell_measurement_reflns_used    21365
_cell_measurement_temperature    200
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     3433.7(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR 92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      200
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0505
_diffrn_reflns_av_sigmaI/netI    0.0389
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            33294
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.01
_exptl_absorpt_coefficient_mu    1.376
_exptl_absorpt_correction_T_max  0.814
_exptl_absorpt_correction_T_min  0.748
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.906
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1968
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.150
_refine_diff_density_max         1.037
_refine_diff_density_min         -0.796
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         7848
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0485
_refine_ls_R_factor_gt           0.0368
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0196P)²+5.8777P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0697
_refine_ls_wR_factor_ref         0.0737
_reflns_number_gt                6497
_reflns_number_total             7848
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b714502k.txt
_cod_data_source_block           6
_cod_original_cell_volume        3433.9(14)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7003225
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 0.313493(18) 0.531234(14) 0.125758(19) 0.02971(7) Uani 1 1 d . . .
Ag2 Ag 0.223610(17) 0.396398(14) 0.323570(18) 0.02865(7) Uani 1 1 d . . .
Cl1 Cl 0.14908(6) 0.31752(5) 0.51730(6) 0.03077(18) Uani 1 1 d . . .
Cl2 Cl 0.35796(6) 0.66705(5) -0.05043(6) 0.03481(19) Uani 1 1 d . . .
O1 O 0.11923(16) 0.70905(12) 0.16792(18) 0.0325(5) Uani 1 1 d . . .
O3 O -0.24025(15) 0.64973(13) 0.09492(16) 0.0311(5) Uani 1 1 d . . .
O5 O -0.06784(16) 0.33431(12) 0.08935(17) 0.0316(5) Uani 1 1 d . . .
O11 O 0.14365(18) 0.24100(14) 0.54352(17) 0.0382(6) Uani 1 1 d . . .
O12 O 0.0608(2) 0.33363(19) 0.4333(2) 0.0673(9) Uani 1 1 d . . .
O13 O 0.2362(2) 0.33016(19) 0.4921(3) 0.0741(10) Uani 1 1 d . . .
O14 O 0.1481(2) 0.36577(15) 0.59613(19) 0.0468(7) Uani 1 1 d . . .
O21 O 0.4123(2) 0.62854(18) 0.0397(2) 0.0570(8) Uani 1 1 d . . .
O22 O 0.2991(3) 0.61376(19) -0.1201(3) 0.0728(10) Uani 1 1 d . . .
O23 O 0.4274(2) 0.70201(18) -0.0886(3) 0.0683(10) Uani 1 1 d . . .
O24 O 0.29281(19) 0.72154(16) -0.0324(2) 0.0528(7) Uani 1 1 d . . .
O101 O 0.62934(15) 0.54684(14) 0.35887(16) 0.0332(6) Uani 1 1 d . . .
O103 O 0.49521(16) 0.71219(14) 0.68067(17) 0.0356(6) Uani 1 1 d . . .
O105 O 0.19067(16) 0.59124(13) 0.49548(18) 0.0331(5) Uani 1 1 d . . .
N1 N 0.23533(18) 0.62442(14) 0.16718(18) 0.0221(5) Uani 1 1 d . . .
N3 N -0.29499(18) 0.56458(15) -0.02585(19) 0.0244(6) Uani 1 1 d . . .
N5 N 0.08148(18) 0.34687(14) 0.20871(18) 0.0241(5) Uani 1 1 d . . .
N101 N 0.48375(19) 0.51919(16) 0.24073(18) 0.0277(6) Uani 1 1 d . . .
N103 N 0.64511(18) 0.66984(15) 0.68414(18) 0.0250(6) Uani 1 1 d . . .
N105 N 0.17957(18) 0.50476(15) 0.37903(19) 0.0252(6) Uani 1 1 d . . .
C1 C 0.0598(2) 0.58440(16) 0.1316(2) 0.0199(6) Uani 1 1 d . . .
C2 C -0.0385(2) 0.61209(17) 0.1019(2) 0.0222(6) Uani 1 1 d . . .
H1 H -0.0501 0.6645 0.0978 0.027 Uiso 1 1 calc R . .
C3 C -0.1183(2) 0.56281(17) 0.0787(2) 0.0214(6) Uani 1 1 d . . .
C4 C -0.1023(2) 0.48607(17) 0.0877(2) 0.0228(6) Uani 1 1 d . . .
H2 H -0.1576 0.4526 0.0712 0.027 Uiso 1 1 calc R . .
C5 C -0.0044(2) 0.45832(17) 0.1213(2) 0.0204(6) Uani 1 1 d . . .
C6 C 0.0761(2) 0.50752(17) 0.1411(2) 0.0210(6) Uani 1 1 d . . .
H3 H 0.1425 0.4885 0.1612 0.025 Uiso 1 1 calc R . .
C11 C 0.1437(2) 0.63765(17) 0.1553(2) 0.0216(6) Uani 1 1 d . . .
C12 C 0.2907(2) 0.69573(18) 0.1974(2) 0.0293(7) Uani 1 1 d . . .
H4 H 0.3345 0.7058 0.1578 0.035 Uiso 1 1 calc R . .
H5 H 0.3321 0.6948 0.2682 0.035 Uiso 1 1 calc R . .
C13 C 0.2080(2) 0.75397(19) 0.1773(3) 0.0379(8) Uani 1 1 d . . .
H6 H 0.2217 0.7899 0.2327 0.045 Uiso 1 1 calc R . .
H7 H 0.2002 0.7818 0.1157 0.045 Uiso 1 1 calc R . .
C31 C -0.2218(2) 0.59103(17) 0.0449(2) 0.0216(6) Uani 1 1 d . . .
C32 C -0.3849(2) 0.60806(18) -0.0301(2) 0.0271(7) Uani 1 1 d . . .
H8 H -0.4331 0.5767 -0.0112 0.032 Uiso 1 1 calc R . .
H9 H -0.4185 0.6283 -0.0972 0.032 Uiso 1 1 calc R . .
C33 C -0.3446(2) 0.6708(2) 0.0438(3) 0.0357(8) Uani 1 1 d . . .
H10 H -0.3488 0.7195 0.0099 0.043 Uiso 1 1 calc R . .
H11 H -0.3821 0.6742 0.0905 0.043 Uiso 1 1 calc R . .
C51 C 0.0094(2) 0.37776(17) 0.1421(2) 0.0218(6) Uani 1 1 d . . .
C52 C 0.0530(2) 0.26750(18) 0.2126(2) 0.0297(7) Uani 1 1 d . . .
H12 H 0.0418 0.2564 0.2755 0.036 Uiso 1 1 calc R . .
H13 H 0.1057 0.2337 0.2060 0.036 Uiso 1 1 calc R . .
C53 C -0.0436(2) 0.25848(19) 0.1255(3) 0.0330(8) Uani 1 1 d . . .
H14 H -0.0333 0.2259 0.0742 0.040 Uiso 1 1 calc R . .
H15 H -0.0974 0.2370 0.1469 0.040 Uiso 1 1 calc R . .
C101 C 0.4821(2) 0.56639(17) 0.4001(2) 0.0193(6) Uani 1 1 d . . .
C102 C 0.5383(2) 0.60511(16) 0.4846(2) 0.0213(6) Uani 1 1 d . . .
H16 H 0.6070 0.6156 0.4961 0.026 Uiso 1 1 calc R . .
C103 C 0.4935(2) 0.62834(16) 0.5523(2) 0.0200(6) Uani 1 1 d . . .
C104 C 0.3929(2) 0.61329(16) 0.5357(2) 0.0217(6) Uani 1 1 d . . .
H17 H 0.3620 0.6310 0.5807 0.026 Uiso 1 1 calc R . .
C105 C 0.3377(2) 0.57243(16) 0.4533(2) 0.0204(6) Uani 1 1 d . . .
C106 C 0.3824(2) 0.54933(16) 0.3853(2) 0.0208(6) Uani 1 1 d . . .
H18 H 0.3444 0.5218 0.3286 0.025 Uiso 1 1 calc R . .
C111 C 0.5283(2) 0.54278(17) 0.3273(2) 0.0217(6) Uani 1 1 d . . .
C112 C 0.5631(2) 0.5011(2) 0.1978(3) 0.0400(9) Uani 1 1 d . . .
H19 H 0.5536 0.5305 0.1370 0.048 Uiso 1 1 calc R . .
H20 H 0.5623 0.4472 0.1819 0.048 Uiso 1 1 calc R . .
C113 C 0.6603(2) 0.5222(2) 0.2773(2) 0.0367(8) Uani 1 1 d . . .
H21 H 0.7058 0.4787 0.2966 0.044 Uiso 1 1 calc R . .
H22 H 0.6945 0.5630 0.2547 0.044 Uiso 1 1 calc R . .
C131 C 0.5507(2) 0.66970(17) 0.6415(2) 0.0221(6) Uani 1 1 d . . .
C132 C 0.6667(2) 0.7216(2) 0.7692(2) 0.0322(8) Uani 1 1 d . . .
H23 H 0.7132 0.7617 0.7650 0.039 Uiso 1 1 calc R . .
H24 H 0.6965 0.6945 0.8323 0.039 Uiso 1 1 calc R . .
C133 C 0.5643(2) 0.7540(2) 0.7611(2) 0.0316(7) Uani 1 1 d . . .
H25 H 0.5498 0.7464 0.8231 0.038 Uiso 1 1 calc R . .
H26 H 0.5611 0.8082 0.7459 0.038 Uiso 1 1 calc R . .
C151 C 0.2331(2) 0.55308(17) 0.4387(2) 0.0220(6) Uani 1 1 d . . .
C152 C 0.0772(2) 0.5112(2) 0.3852(3) 0.0306(7) Uani 1 1 d . . .
H27 H 0.0478 0.4613 0.3873 0.037 Uiso 1 1 calc R . .
H28 H 0.0323 0.5397 0.3285 0.037 Uiso 1 1 calc R . .
C153 C 0.0952(2) 0.5530(2) 0.4809(3) 0.0361(8) Uani 1 1 d . . .
H29 H 0.0409 0.5894 0.4752 0.043 Uiso 1 1 calc R . .
H30 H 0.1005 0.5181 0.5358 0.043 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N3 144.25(9) . 3_565 ?
N1 Ag1 N101 111.04(9) . . ?
N3 Ag1 N101 104.42(9) 3_565 . ?
N103 Ag2 N105 143.41(9) 3_666 . ?
N103 Ag2 N5 107.53(9) 3_666 . ?
N105 Ag2 N5 107.63(9) . . ?
O13 Cl1 O11 110.45(18) . . ?
O13 Cl1 O14 110.44(19) . . ?
O11 Cl1 O14 110.64(15) . . ?
O13 Cl1 O12 109.7(2) . . ?
O11 Cl1 O12 107.65(18) . . ?
O14 Cl1 O12 107.87(18) . . ?
O23 Cl2 O24 110.18(18) . . ?
O23 Cl2 O22 109.7(2) . . ?
O24 Cl2 O22 108.79(19) . . ?
O23 Cl2 O21 109.12(17) . . ?
O24 Cl2 O21 110.22(18) . . ?
O22 Cl2 O21 108.8(2) . . ?
C11 O1 C13 106.2(2) . . ?
C31 O3 C33 106.1(2) . . ?
C51 O5 C53 106.6(2) . . ?
C111 O101 C113 106.6(2) . . ?
C131 O103 C133 107.0(2) . . ?
C151 O105 C153 104.8(2) . . ?
C11 N1 C12 107.2(2) . . ?
C11 N1 Ag1 133.7(2) . . ?
C12 N1 Ag1 117.82(18) . . ?
C31 N3 C32 107.3(2) . . ?
C31 N3 Ag1 134.3(2) . 3_565 ?
C32 N3 Ag1 118.21(19) . 3_565 ?
C51 N5 C52 106.5(3) . . ?
C51 N5 Ag2 131.4(2) . . ?
C52 N5 Ag2 121.57(19) . . ?
C111 N101 C112 106.5(3) . . ?
C111 N101 Ag1 133.8(2) . . ?
C112 N101 Ag1 116.88(19) . . ?
C131 N103 C132 106.9(2) . . ?
C131 N103 Ag2 137.1(2) . 3_666 ?
C132 N103 Ag2 115.30(19) . 3_666 ?
C151 N105 C152 106.2(2) . . ?
C151 N105 Ag2 130.3(2) . . ?
C152 N105 Ag2 118.6(2) . . ?
C6 C1 C2 119.5(3) . . ?
C6 C1 C11 121.4(3) . . ?
C2 C1 C11 119.0(3) . . ?
C3 C2 C1 119.8(3) . . ?
C3 C2 H1 120.1 . . ?
C1 C2 H1 120.1 . . ?
C2 C3 C4 120.8(3) . . ?
C2 C3 C31 120.4(3) . . ?
C4 C3 C31 118.9(3) . . ?
C3 C4 C5 119.6(3) . . ?
C3 C4 H2 120.2 . . ?
C5 C4 H2 120.2 . . ?
C6 C5 C4 119.8(3) . . ?
C6 C5 C51 122.3(3) . . ?
C4 C5 C51 117.8(3) . . ?
C5 C6 C1 120.4(3) . . ?
C5 C6 H3 119.8 . . ?
C1 C6 H3 119.8 . . ?
N1 C11 O1 117.0(3) . . ?
N1 C11 C1 128.3(3) . . ?
O1 C11 C1 114.7(2) . . ?
N1 C12 C13 103.5(2) . . ?
N1 C12 H4 111.1 . . ?
C13 C12 H4 111.1 . . ?
N1 C12 H5 111.1 . . ?
C13 C12 H5 111.1 . . ?
H4 C12 H5 109.0 . . ?
O1 C13 C12 103.1(3) . . ?
O1 C13 H6 111.1 . . ?
C12 C13 H6 111.1 . . ?
O1 C13 H7 111.1 . . ?
C12 C13 H7 111.1 . . ?
H6 C13 H7 109.1 . . ?
N3 C31 O3 117.6(3) . . ?
N3 C31 C3 126.2(3) . . ?
O3 C31 C3 116.2(3) . . ?
N3 C32 C33 104.1(2) . . ?
N3 C32 H8 110.9 . . ?
C33 C32 H8 110.9 . . ?
N3 C32 H9 110.9 . . ?
C33 C32 H9 110.9 . . ?
H8 C32 H9 109.0 . . ?
O3 C33 C32 103.9(2) . . ?
O3 C33 H10 111.0 . . ?
C32 C33 H10 111.0 . . ?
O3 C33 H11 111.0 . . ?
C32 C33 H11 111.0 . . ?
H10 C33 H11 109.0 . . ?
N5 C51 O5 118.0(3) . . ?
N5 C51 C5 126.7(3) . . ?
O5 C51 C5 115.0(3) . . ?
N5 C52 C53 104.6(3) . . ?
N5 C52 H12 110.8 . . ?
C53 C52 H12 110.8 . . ?
N5 C52 H13 110.8 . . ?
C53 C52 H13 110.8 . . ?
H12 C52 H13 108.9 . . ?
O5 C53 C52 103.6(2) . . ?
O5 C53 H14 111.0 . . ?
C52 C53 H14 111.0 . . ?
O5 C53 H15 111.0 . . ?
C52 C53 H15 111.0 . . ?
H14 C53 H15 109.0 . . ?
C106 C101 C102 119.7(3) . . ?
C106 C101 C111 120.1(3) . . ?
C102 C101 C111 120.2(3) . . ?
C103 C102 C101 119.8(3) . . ?
C103 C102 H16 120.1 . . ?
C101 C102 H16 120.1 . . ?
C104 C103 C102 120.3(3) . . ?
C104 C103 C131 118.7(3) . . ?
C102 C103 C131 121.0(3) . . ?
C105 C104 C103 119.9(3) . . ?
C105 C104 H17 120.0 . . ?
C103 C104 H17 120.0 . . ?
C104 C105 C106 119.8(3) . . ?
C104 C105 C151 119.9(3) . . ?
C106 C105 C151 120.3(3) . . ?
C101 C106 C105 120.4(3) . . ?
C101 C106 H18 119.8 . . ?
C105 C106 H18 119.8 . . ?
N101 C111 O101 118.1(3) . . ?
N101 C111 C101 127.0(3) . . ?
O101 C111 C101 114.9(2) . . ?
N101 C112 C113 104.8(3) . . ?
N101 C112 H19 110.8 . . ?
C113 C112 H19 110.8 . . ?
N101 C112 H20 110.8 . . ?
C113 C112 H20 110.8 . . ?
H19 C112 H20 108.9 . . ?
O101 C113 C112 104.0(2) . . ?
O101 C113 H21 111.0 . . ?
C112 C113 H21 111.0 . . ?
O101 C113 H22 111.0 . . ?
C112 C113 H22 111.0 . . ?
H21 C113 H22 109.0 . . ?
N103 C131 O103 117.7(3) . . ?
N103 C131 C103 127.3(3) . . ?
O103 C131 C103 115.0(2) . . ?
N103 C132 C133 104.3(2) . . ?
N103 C132 H23 110.9 . . ?
C133 C132 H23 110.9 . . ?
N103 C132 H24 110.9 . . ?
C133 C132 H24 110.9 . . ?
H23 C132 H24 108.9 . . ?
O103 C133 C132 103.6(2) . . ?
O103 C133 H25 111.0 . . ?
C132 C133 H25 111.0 . . ?
O103 C133 H26 111.0 . . ?
C132 C133 H26 111.0 . . ?
H25 C133 H26 109.0 . . ?
N105 C151 O105 117.7(3) . . ?
N105 C151 C105 127.0(3) . . ?
O105 C151 C105 115.4(3) . . ?
N105 C152 C153 102.9(2) . . ?
N105 C152 H27 111.2 . . ?
C153 C152 H27 111.2 . . ?
N105 C152 H28 111.2 . . ?
C153 C152 H28 111.2 . . ?
H27 C152 H28 109.1 . . ?
O105 C153 C152 103.0(2) . . ?
O105 C153 H29 111.2 . . ?
C152 C153 H29 111.2 . . ?
O105 C153 H30 111.2 . . ?
C152 C153 H30 111.2 . . ?
H29 C153 H30 109.1 . . ?
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 N1 2.191(2) . ?
Ag1 N3 2.194(3) 3_565 ?
Ag1 N101 2.434(3) . ?
Ag2 N103 2.240(2) 3_666 ?
Ag2 N105 2.261(3) . ?
Ag2 N5 2.310(3) . ?
Cl1 O13 1.417(3) . ?
Cl1 O11 1.428(3) . ?
Cl1 O14 1.429(3) . ?
Cl1 O12 1.447(3) . ?
Cl2 O23 1.423(3) . ?
Cl2 O24 1.425(3) . ?
Cl2 O22 1.430(3) . ?
Cl2 O21 1.441(3) . ?
O1 C11 1.351(4) . ?
O1 C13 1.460(4) . ?
O3 C31 1.347(4) . ?
O3 C33 1.462(4) . ?
O5 C51 1.349(4) . ?
O5 C53 1.451(4) . ?
O101 C111 1.351(3) . ?
O101 C113 1.452(4) . ?
O103 C131 1.346(3) . ?
O103 C133 1.447(4) . ?
O105 C151 1.352(3) . ?
O105 C153 1.467(4) . ?
N1 C11 1.274(4) . ?
N1 C12 1.483(4) . ?
N3 C31 1.275(4) . ?
N3 C32 1.476(4) . ?
N3 Ag1 2.194(3) 3_565 ?
N5 C51 1.268(4) . ?
N5 C52 1.481(4) . ?
N101 C111 1.264(4) . ?
N101 C112 1.490(4) . ?
N103 C131 1.271(4) . ?
N103 C132 1.483(4) . ?
N103 Ag2 2.240(2) 3_666 ?
N105 C151 1.273(4) . ?
N105 C152 1.488(4) . ?
C1 C6 1.392(4) . ?
C1 C2 1.402(4) . ?
C1 C11 1.471(4) . ?
C2 C3 1.384(4) . ?
C2 H1 0.9500 . ?
C3 C4 1.389(4) . ?
C3 C31 1.471(4) . ?
C4 C5 1.399(4) . ?
C4 H2 0.9500 . ?
C5 C6 1.391(4) . ?
C5 C51 1.470(4) . ?
C6 H3 0.9500 . ?
C12 C13 1.521(5) . ?
C12 H4 0.9900 . ?
C12 H5 0.9900 . ?
C13 H6 0.9900 . ?
C13 H7 0.9900 . ?
C32 C33 1.519(5) . ?
C32 H8 0.9900 . ?
C32 H9 0.9900 . ?
C33 H10 0.9900 . ?
C33 H11 0.9900 . ?
C52 C53 1.522(5) . ?
C52 H12 0.9900 . ?
C52 H13 0.9900 . ?
C53 H14 0.9900 . ?
C53 H15 0.9900 . ?
C101 C106 1.391(4) . ?
C101 C102 1.393(4) . ?
C101 C111 1.472(4) . ?
C102 C103 1.392(4) . ?
C102 H16 0.9500 . ?
C103 C104 1.391(4) . ?
C103 C131 1.467(4) . ?
C104 C105 1.388(4) . ?
C104 H17 0.9500 . ?
C105 C106 1.394(4) . ?
C105 C151 1.468(4) . ?
C106 H18 0.9500 . ?
C112 C113 1.512(5) . ?
C112 H19 0.9900 . ?
C112 H20 0.9900 . ?
C113 H21 0.9900 . ?
C113 H22 0.9900 . ?
C132 C133 1.529(4) . ?
C132 H23 0.9900 . ?
C132 H24 0.9900 . ?
C133 H25 0.9900 . ?
C133 H26 0.9900 . ?
C152 C153 1.511(5) . ?
C152 H27 0.9900 . ?
C152 H28 0.9900 . ?
C153 H29 0.9900 . ?
C153 H30 0.9900 . ?
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
N3 Ag1 N1 C11 20.7(4) 3_565 . . . ?
N101 Ag1 N1 C11 -151.5(3) . . . . ?
N3 Ag1 N1 C12 -144.1(2) 3_565 . . . ?
N101 Ag1 N1 C12 43.7(2) . . . . ?
N103 Ag2 N5 C51 -130.5(3) 3_666 . . . ?
N105 Ag2 N5 C51 39.2(3) . . . . ?
N103 Ag2 N5 C52 58.8(2) 3_666 . . . ?
N105 Ag2 N5 C52 -131.4(2) . . . . ?
N1 Ag1 N101 C111 18.2(3) . . . . ?
N3 Ag1 N101 C111 -157.0(3) 3_565 . . . ?
N1 Ag1 N101 C112 -139.9(2) . . . . ?
N3 Ag1 N101 C112 44.8(3) 3_565 . . . ?
N103 Ag2 N105 C151 -12.7(4) 3_666 . . . ?
N5 Ag2 N105 C151 -176.1(3) . . . . ?
N103 Ag2 N105 C152 -164.1(2) 3_666 . . . ?
N5 Ag2 N105 C152 32.5(2) . . . . ?
C6 C1 C2 C3 -2.5(4) . . . . ?
C11 C1 C2 C3 179.5(3) . . . . ?
C1 C2 C3 C4 2.3(4) . . . . ?
C1 C2 C3 C31 -178.4(3) . . . . ?
C2 C3 C4 C5 0.4(4) . . . . ?
C31 C3 C4 C5 -179.0(3) . . . . ?
C3 C4 C5 C6 -2.8(4) . . . . ?
C3 C4 C5 C51 172.2(3) . . . . ?
C4 C5 C6 C1 2.6(4) . . . . ?
C51 C5 C6 C1 -172.2(3) . . . . ?
C2 C1 C6 C5 0.1(4) . . . . ?
C11 C1 C6 C5 177.9(3) . . . . ?
C12 N1 C11 O1 2.6(4) . . . . ?
Ag1 N1 C11 O1 -163.4(2) . . . . ?
C12 N1 C11 C1 -175.7(3) . . . . ?
Ag1 N1 C11 C1 18.3(5) . . . . ?
C13 O1 C11 N1 8.9(4) . . . . ?
C13 O1 C11 C1 -172.6(3) . . . . ?
C6 C1 C11 N1 15.0(5) . . . . ?
C2 C1 C11 N1 -167.1(3) . . . . ?
C6 C1 C11 O1 -163.4(3) . . . . ?
C2 C1 C11 O1 14.5(4) . . . . ?
C11 N1 C12 C13 -12.3(3) . . . . ?
Ag1 N1 C12 C13 156.3(2) . . . . ?
C11 O1 C13 C12 -15.6(3) . . . . ?
N1 C12 C13 O1 16.6(3) . . . . ?
C32 N3 C31 O3 -1.7(4) . . . . ?
Ag1 N3 C31 O3 -175.9(2) 3_565 . . . ?
C32 N3 C31 C3 177.4(3) . . . . ?
Ag1 N3 C31 C3 3.2(5) 3_565 . . . ?
C33 O3 C31 N3 -5.0(4) . . . . ?
C33 O3 C31 C3 175.9(3) . . . . ?
C2 C3 C31 N3 137.1(3) . . . . ?
C4 C3 C31 N3 -43.5(4) . . . . ?
C2 C3 C31 O3 -43.8(4) . . . . ?
C4 C3 C31 O3 135.5(3) . . . . ?
C31 N3 C32 C33 7.3(3) . . . . ?
Ag1 N3 C32 C33 -177.5(2) 3_565 . . . ?
C31 O3 C33 C32 9.0(3) . . . . ?
N3 C32 C33 O3 -9.7(3) . . . . ?
C52 N5 C51 O5 -4.0(4) . . . . ?
Ag2 N5 C51 O5 -175.69(19) . . . . ?
C52 N5 C51 C5 169.8(3) . . . . ?
Ag2 N5 C51 C5 -1.8(5) . . . . ?
C53 O5 C51 N5 -1.1(4) . . . . ?
C53 O5 C51 C5 -175.7(3) . . . . ?
C6 C5 C51 N5 28.5(5) . . . . ?
C4 C5 C51 N5 -146.4(3) . . . . ?
C6 C5 C51 O5 -157.4(3) . . . . ?
C4 C5 C51 O5 27.6(4) . . . . ?
C51 N5 C52 C53 7.1(3) . . . . ?
Ag2 N5 C52 C53 179.76(19) . . . . ?
C51 O5 C53 C52 5.5(3) . . . . ?
N5 C52 C53 O5 -7.5(3) . . . . ?
C106 C101 C102 C103 -1.9(4) . . . . ?
C111 C101 C102 C103 178.9(3) . . . . ?
C101 C102 C103 C104 -0.2(4) . . . . ?
C101 C102 C103 C131 -179.5(3) . . . . ?
C102 C103 C104 C105 2.5(4) . . . . ?
C131 C103 C104 C105 -178.2(3) . . . . ?
C103 C104 C105 C106 -2.7(4) . . . . ?
C103 C104 C105 C151 176.7(3) . . . . ?
C102 C101 C106 C105 1.7(4) . . . . ?
C111 C101 C106 C105 -179.1(3) . . . . ?
C104 C105 C106 C101 0.6(4) . . . . ?
C151 C105 C106 C101 -178.8(3) . . . . ?
C112 N101 C111 O101 0.6(4) . . . . ?
Ag1 N101 C111 O101 -159.1(2) . . . . ?
C112 N101 C111 C101 -178.8(3) . . . . ?
Ag1 N101 C111 C101 21.5(5) . . . . ?
C113 O101 C111 N101 1.0(4) . . . . ?
C113 O101 C111 C101 -179.5(3) . . . . ?
C106 C101 C111 N101 13.8(5) . . . . ?
C102 C101 C111 N101 -166.9(3) . . . . ?
C106 C101 C111 O101 -165.6(3) . . . . ?
C102 C101 C111 O101 13.6(4) . . . . ?
C111 N101 C112 C113 -1.9(4) . . . . ?
Ag1 N101 C112 C113 161.8(2) . . . . ?
C111 O101 C113 C112 -2.2(4) . . . . ?
N101 C112 C113 O101 2.5(4) . . . . ?
C132 N103 C131 O103 -1.0(4) . . . . ?
Ag2 N103 C131 O103 168.5(2) 3_666 . . . ?
C132 N103 C131 C103 178.5(3) . . . . ?
Ag2 N103 C131 C103 -11.9(5) 3_666 . . . ?
C133 O103 C131 N103 5.2(4) . . . . ?
C133 O103 C131 C103 -174.4(3) . . . . ?
C104 C103 C131 N103 157.5(3) . . . . ?
C102 C103 C131 N103 -23.2(5) . . . . ?
C104 C103 C131 O103 -23.0(4) . . . . ?
C102 C103 C131 O103 156.4(3) . . . . ?
C131 N103 C132 C133 -3.3(4) . . . . ?
Ag2 N103 C132 C133 -175.5(2) 3_666 . . . ?
C131 O103 C133 C132 -6.6(3) . . . . ?
N103 C132 C133 O103 6.0(3) . . . . ?
C152 N105 C151 O105 5.3(4) . . . . ?
Ag2 N105 C151 O105 -148.7(2) . . . . ?
C152 N105 C151 C105 -174.8(3) . . . . ?
Ag2 N105 C151 C105 31.2(5) . . . . ?
C153 O105 C151 N105 10.0(4) . . . . ?
C153 O105 C151 C105 -169.9(3) . . . . ?
C104 C105 C151 N105 -165.3(3) . . . . ?
C106 C105 C151 N105 14.1(5) . . . . ?
C104 C105 C151 O105 14.6(4) . . . . ?
C106 C105 C151 O105 -166.0(3) . . . . ?
C151 N105 C152 C153 -17.6(3) . . . . ?
Ag2 N105 C152 C153 140.0(2) . . . . ?
C151 O105 C153 C152 -20.0(3) . . . . ?
N105 C152 C153 O105 22.5(3) . . . . ?
