#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:16:12 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179474 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/71/4337100.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_4337100
loop_
_publ_author_name
'Liang, Min-Xia'
'Ruan, Chan-Zi'
'Sun, Di'
'Kong, Xiang-Jian'
'Ren, Yan-Ping'
'Long, La-Sheng'
'Huang, Rong-Bin'
'Zheng, Lan-Sun'
_publ_section_title
;
 Solvothermal Synthesis of Four Polyoxometalate-Based Coordination
 Polymers Including Diverse Ag(I)···π Interactions.
;
_journal_issue                   2
_journal_name_full               'Inorganic chemistry'
_journal_page_first              897
_journal_page_last               902
_journal_paper_doi               10.1021/ic4022596
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C44 H30 Ag12 N26 O40 Si W12'
_chemical_formula_weight         5091.67
_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                97.787(3)
_cell_angle_beta                 107.293(3)
_cell_angle_gamma                108.721(3)
_cell_formula_units_Z            1
_cell_length_a                   12.342(2)
_cell_length_b                   12.447(2)
_cell_length_c                   14.980(3)
_cell_measurement_temperature    173(2)
_cell_volume                     2012.0(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_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  0.0422
_diffrn_reflns_av_sigmaI/netI    0.0694
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11744
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.47
_exptl_absorpt_coefficient_mu    20.027
_exptl_absorpt_correction_T_max  0.2972
_exptl_absorpt_correction_T_min  0.2393
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    4.202
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2262
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         3.631
_refine_diff_density_min         -3.442
_refine_diff_density_rms         0.449
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     634
_refine_ls_number_reflns         6970
_refine_ls_number_restraints     102
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0858
_refine_ls_R_factor_gt           0.0749
_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)+(0.1183P)²+55.9889P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1942
_refine_ls_wR_factor_ref         0.2029
_reflns_number_gt                5819
_reflns_number_total             6970
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic4022596_si_002.cif
_cod_data_source_block           p3
_cod_original_cell_volume        2012.1(6)
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               4337100
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
W1 W 0.44218(8) -0.16820(7) -0.83582(6) 0.0340(2) Uani 1 1 d .
W2 W 0.46508(8) 0.12483(8) -0.78988(6) 0.0373(2) Uani 1 1 d .
W3 W 0.72868(10) 0.06326(8) -0.77123(7) 0.0458(3) Uani 1 1 d .
W4 W 0.49087(8) -0.28850(7) -1.04057(8) 0.0462(3) Uani 1 1 d .
W5 W 0.21943(10) -0.24093(8) -1.06955(9) 0.0569(4) Uani 1 1 d .
W6 W 0.23127(11) 0.04815(9) -1.01757(10) 0.0590(4) Uani 1 1 d .
Ag1 Ag 0.4429(4) 0.5475(3) 0.1634(3) 0.0577(10) Uani 0.50 1 d P
Ag2 Ag -0.1711(3) 0.47400(19) -1.22979(17) 0.0951(11) Uani 1 1 d .
Ag3 Ag 0.0795(2) 0.09196(17) -0.56349(14) 0.0579(6) Uani 1 1 d .
Ag4 Ag 0.24135(19) 0.35153(17) -0.11134(14) 0.0525(5) Uani 1 1 d .
Ag5 Ag 0.0771(2) 0.00052(16) -0.80553(14) 0.0592(6) Uani 1 1 d .
Ag6 Ag 0.0000 0.5000 -1.0000 0.0522(7) Uani 1 2 d S
Ag7 Ag 0.08238(18) 0.24850(16) -0.94496(12) 0.0460(4) Uani 1 1 d .
Si1 Si 0.5000 0.0000 -1.0000 0.0345(18) Uani 1 2 d S
O3 O 0.1015(14) 0.0731(14) -1.0274(11) 0.042(4) Uani 1 1 d .
O4 O 0.4162(15) -0.0374(13) -0.7865(14) 0.056(5) Uani 1 1 d .
O6 O 0.0849(13) -0.3544(14) -1.1005(10) 0.043(4) Uani 1 1 d .
O9 O 0.6284(13) 0.1398(12) -0.7373(14) 0.049(4) Uani 1 1 d .
O12 O 0.6166(13) -0.0776(13) -0.7713(14) 0.052(4) Uani 1 1 d .
O20 O 0.485(2) -0.4264(15) -1.0616(12) 0.059(5) Uani 1 1 d .
O28 O 0.443(2) -0.131(2) -0.9821(18) 0.024(5) Uani 0.50 1 d P
O29 O 0.8370(17) 0.0958(15) -0.6647(18) 0.073(6) Uani 1 1 d .
O33 O 0.320(2) -0.316(2) -1.0877(17) 0.080(6) Uani 1 1 d U
O36 O 0.338(2) 0.205(2) -1.0063(17) 0.083(6) Uani 1 1 d U
O38 O 0.447(2) 0.1844(15) -0.6910(19) 0.086(8) Uani 1 1 d .
O39 O 0.2860(19) -0.2267(19) -0.9369(16) 0.075(6) Uani 1 1 d U
O42 O 0.299(2) 0.074(2) -0.8852(18) 0.087(7) Uani 1 1 d U
O46 O 0.413(2) -0.251(2) -0.759(2) 0.085(7) Uani 1 1 d .
O47 O 0.4892(18) -0.2630(18) -0.9156(16) 0.071(5) Uani 1 1 d U
O48 O 0.172(3) -0.111(2) -1.032(2) 0.092(7) Uani 1 1 d U
O49 O 0.653(3) 0.053(2) -0.930(2) 0.036(7) Uani 0.50 1 d P
O50 O 0.785(3) -0.018(2) -0.851(2) 0.101(8) Uani 1 1 d U
O57 O 0.782(3) 0.200(2) -0.820(2) 0.103(8) Uani 1 1 d U
O58 O 0.450(2) 0.087(2) -0.9435(18) 0.030(4) Uani 0.50 1 d PU
O60 O 0.520(2) 0.000(2) -0.8965(18) 0.029(4) Uani 0.50 1 d PU
O79 O 0.512(2) 0.258(2) -0.841(2) 0.095(7) Uani 1 1 d U
N7 N -0.0434(15) 0.2471(14) -1.0949(12) 0.031(4) Uani 1 1 d .
N8 N -0.1252(16) 0.3246(15) -1.2007(12) 0.034(4) Uani 1 1 d .
N10 N -0.0576(19) 0.3432(15) -1.1095(13) 0.042(4) Uani 1 1 d .
N11 N -0.1011(17) 0.1652(14) -1.1755(13) 0.038(4) Uani 1 1 d .
N13 N 0.1116(17) 0.2146(15) -0.6566(13) 0.037(4) Uani 1 1 d .
N15 N 0.1446(17) 0.3643(15) -0.7212(13) 0.037(4) Uani 1 1 d .
N16 N 0.185(2) 0.2440(18) -0.2554(14) 0.051(5) Uani 1 1 d .
N17 N 0.1055(18) 0.1795(14) -0.7466(14) 0.042(4) Uani 1 1 d .
N18 N 0.1356(19) 0.1470(17) -0.4059(15) 0.050(5) Uani 1 1 d .
N19 N 0.1264(18) 0.2671(15) -0.7860(12) 0.039(4) Uani 1 1 d .
N21 N 0.0502(19) 0.0952(17) -0.3652(14) 0.046(5) Uani 1 1 d .
N26 N 0.081(2) 0.1513(19) -0.2779(17) 0.056(6) Uani 1 1 d .
N24 N 0.2297(19) 0.4762(18) 0.0875(16) 0.052(5) Uani 1 1 d .
C1 C 0.527(3) 0.484(3) -0.365(3) 0.081(6) Uani 1 1 d U
H1 H 0.5952 0.5397 -0.3722 0.097 Uiso 1 1 calc R
C2 C 0.488(3) 0.511(3) -0.292(3) 0.082(6) Uani 1 1 d U
H2 H 0.5332 0.5857 -0.2482 0.099 Uiso 1 1 calc R
C3 C 0.221(2) 0.2421(19) -0.3324(17) 0.047(6) Uani 1 1 d .
C4 C 0.245(3) 0.578(3) -0.430(2) 0.069(8) Uani 1 1 d .
H4 H 0.3090 0.6537 -0.4009 0.083 Uiso 1 1 calc R
C5 C 0.166(3) 0.537(3) -0.3827(18) 0.072(9) Uani 1 1 d .
H5 H 0.1730 0.5851 -0.3246 0.086 Uiso 1 1 calc R
C6 C -0.355(3) -0.034(2) -1.460(2) 0.072(9) Uani 1 1 d .
H6 H -0.3977 -0.1168 -1.4756 0.086 Uiso 1 1 calc R
C7 C -0.286(3) 0.029(2) -1.3650(19) 0.053(6) Uani 1 1 d .
H7 H -0.2820 -0.0094 -1.3143 0.064 Uiso 1 1 calc R
C8 C -0.292(4) 0.146(3) -1.510(2) 0.093(13) Uani 1 1 d .
H8 H -0.2915 0.1876 -1.5582 0.112 Uiso 1 1 calc R
C9 C -0.360(3) 0.028(3) -1.537(2) 0.075(9) Uani 1 1 d .
H9 H -0.4092 -0.0124 -1.6028 0.090 Uiso 1 1 calc R
C10 C 0.329(3) 0.323(3) -0.340(3) 0.081(6) Uani 1 1 d U
C11 C 0.464(3) 0.373(3) -0.428(2) 0.073(9) Uani 1 1 d .
H11 H 0.4873 0.3520 -0.4812 0.088 Uiso 1 1 calc R
C12 C 0.362(2) 0.291(3) -0.413(2) 0.066(8) Uani 1 1 d .
H12 H 0.3197 0.2138 -0.4546 0.079 Uiso 1 1 calc R
C14 C 0.079(3) 0.429(3) -0.420(2) 0.062(7) Uani 1 1 d .
H14 H 0.0282 0.3967 -0.3859 0.074 Uiso 1 1 calc R
C15 C 0.063(2) 0.363(2) -0.5085(18) 0.049(6) Uani 1 1 d .
H15 H -0.0038 0.2889 -0.5373 0.059 Uiso 1 1 calc R
C16 C 0.142(2) 0.404(2) -0.5549(16) 0.040(5) Uani 1 1 d .
C17 C 0.1368(18) 0.3311(18) -0.6383(15) 0.036(5) Uani 1 1 d .
C18 C -0.223(2) 0.1511(19) -1.3440(14) 0.037(5) Uani 1 1 d .
C19 C -0.1505(19) 0.2132(18) -1.2389(15) 0.037(5) Uani 1 1 d .
C20 C 0.236(2) 0.5170(19) -0.5134(17) 0.045(5) Uani 1 1 d .
H20 H 0.2910 0.5485 -0.5445 0.054 Uiso 1 1 calc R
C21 C 0.391(3) 0.438(3) -0.278(3) 0.083(6) Uani 1 1 d U
H21 H 0.3653 0.4629 -0.2284 0.099 Uiso 1 1 calc R
C22 C -0.225(3) 0.206(3) -1.4144(18) 0.074(9) Uani 1 1 d .
H22 H -0.1790 0.2878 -1.3987 0.089 Uiso 1 1 calc R
C23 C 0.239(2) 0.439(2) 0.0180(19) 0.049(6) 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'
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'
Si Si 0.0817 0.0704 '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'
W W -0.8490 6.8722 '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
O46 W1 O4 100.8(10) . .
O46 W1 O39 101.0(12) . .
O4 W1 O39 91.1(8) . .
O46 W1 O47 101.2(11) . .
O4 W1 O47 157.8(10) . .
O39 W1 O47 87.3(8) . .
O46 W1 O12 101.7(11) . .
O4 W1 O12 87.7(7) . .
O39 W1 O12 157.0(10) . .
O47 W1 O12 85.3(8) . .
O46 W1 O28 156.5(11) . .
O4 W1 O28 98.0(9) . .
O39 W1 O28 64.6(9) . .
O47 W1 O28 61.4(10) . .
O12 W1 O28 92.8(8) . .
O46 W1 O60 161.2(11) . .
O4 W1 O60 65.9(9) . .
O39 W1 O60 92.8(10) . .
O47 W1 O60 92.0(10) . .
O12 W1 O60 65.8(8) . .
O28 W1 O60 42.2(9) . .
O38 W2 O9 100.3(11) . .
O38 W2 O79 101.1(11) . .
O9 W2 O79 91.1(10) . .
O38 W2 O4 101.1(9) . .
O9 W2 O4 88.1(7) . .
O79 W2 O4 157.6(11) . .
O38 W2 O42 100.7(13) . .
O9 W2 O42 158.7(10) . .
O79 W2 O42 88.5(10) . .
O4 W2 O42 84.2(8) . .
O38 W2 O58 158.2(12) . .
O9 W2 O58 95.9(9) . .
O79 W2 O58 63.8(11) . .
O4 W2 O58 94.0(9) . .
O42 W2 O58 65.0(10) . .
O38 W2 O60 159.9(11) . .
O9 W2 O60 67.2(8) . .
O79 W2 O60 95.0(11) . .
O4 W2 O60 64.2(8) . .
O42 W2 O60 91.6(10) . .
O58 W2 O60 41.8(9) . .
O29 W3 O12 101.2(9) . .
O29 W3 O50 101.5(12) . .
O12 W3 O50 90.5(10) . .
O29 W3 O9 100.1(9) . .
O12 W3 O9 88.4(7) . .
O50 W3 O9 158.2(11) . .
O29 W3 O57 103.7(12) . .
O12 W3 O57 154.5(11) . .
O50 W3 O57 89.7(12) . .
O9 W3 O57 82.0(10) . .
O29 W3 O49 155.7(10) . .
O12 W3 O49 98.3(9) . .
O50 W3 O49 63.9(12) . .
O9 W3 O49 94.7(10) . .
O57 W3 O49 59.3(11) . .
O29 W3 O60 159.7(10) . .
O12 W3 O60 65.2(8) . .
O50 W3 O60 93.9(11) . .
O9 W3 O60 65.9(8) . .
O57 W3 O60 89.3(11) . .
O49 W3 O60 44.4(9) . .
O20 W4 O79 100.0(10) . 2_653
O20 W4 O47 102.0(9) . .
O79 W4 O47 157.8(11) 2_653 .
O20 W4 O36 99.8(11) . 2_653
O79 W4 O36 87.3(11) 2_653 2_653
O47 W4 O36 91.2(10) . 2_653
O20 W4 O33 101.1(10) . .
O79 W4 O33 85.3(11) 2_653 .
O47 W4 O33 88.2(9) . .
O36 W4 O33 158.8(11) 2_653 .
O20 W4 O28 157.0(9) . .
O79 W4 O28 97.4(11) 2_653 .
O47 W4 O28 60.7(9) . .
O36 W4 O28 96.0(10) 2_653 .
O33 W4 O28 65.4(9) . .
O20 W4 O58 154.7(9) . 2_653
O79 W4 O58 59.6(10) 2_653 2_653
O47 W4 O58 99.6(9) . 2_653
O36 W4 O58 66.7(9) 2_653 2_653
O33 W4 O58 92.5(10) . 2_653
O28 W4 O58 48.2(8) . 2_653
O6 W5 O57 104.6(11) . 2_653
O6 W5 O33 101.9(10) . .
O57 W5 O33 87.1(12) 2_653 .
O6 W5 O39 100.7(9) . .
O57 W5 O39 154.7(12) 2_653 .
O33 W5 O39 88.7(10) . .
O6 W5 O48 100.1(10) . .
O57 W5 O48 89.2(12) 2_653 .
O33 W5 O48 158.0(11) . .
O39 W5 O48 85.4(10) . .
O6 W5 O49 154.6(10) . 2_653
O57 W5 O49 58.3(12) 2_653 2_653
O33 W5 O49 96.1(11) . 2_653
O39 W5 O49 97.5(10) . 2_653
O48 W5 O49 63.8(11) . 2_653
O6 W5 O28 155.1(8) . .
O57 W5 O28 95.0(11) 2_653 .
O33 W5 O28 63.4(9) . .
O39 W5 O28 61.1(9) . .
O48 W5 O28 95.4(10) . .
O49 W5 O28 50.2(10) 2_653 .
O3 W6 O48 99.9(10) . .
O3 W6 O42 99.9(10) . .
O48 W6 O42 90.7(11) . .
O3 W6 O50 99.9(10) . 2_653
O48 W6 O50 87.7(12) . 2_653
O42 W6 O50 160.1(12) . 2_653
O3 W6 O36 98.5(9) . .
O48 W6 O36 161.3(11) . .
O42 W6 O36 89.2(10) . .
O50 W6 O36 86.0(11) 2_653 .
O3 W6 O49 153.6(9) . 2_653
O48 W6 O49 64.3(9) . 2_653
O42 W6 O49 101.2(11) . 2_653
O50 W6 O49 60.4(11) 2_653 2_653
O36 W6 O49 97.4(10) . 2_653
O3 W6 O58 154.6(8) . .
O48 W6 O58 97.6(11) . .
O42 W6 O58 61.6(10) . .
O50 W6 O58 99.0(11) 2_653 .
O36 W6 O58 66.0(10) . .
O49 W6 O58 51.8(9) 2_653 .
C21 Ag1 C2 35.8(12) 2_665 2_665
C21 Ag1 N24 151.8(11) 2_665 .
C2 Ag1 N24 116.0(11) 2_665 .
C21 Ag1 O20 82.6(10) 2_665 2_654
C2 Ag1 O20 93.8(10) 2_665 2_654
N24 Ag1 O20 105.5(7) . 2_654
C21 Ag1 C23 155.3(10) 2_665 .
C2 Ag1 C23 127.6(10) 2_665 .
N24 Ag1 C23 26.1(8) . .
O20 Ag1 C23 81.0(8) 2_654 .
N8 Ag2 N15 153.6(7) . 2_563
N8 Ag2 N24 100.0(7) . 2_564
N15 Ag2 N24 100.8(7) 2_563 2_564
N8 Ag2 Ag6 63.3(5) . .
N15 Ag2 Ag6 117.1(5) 2_563 .
N24 Ag2 Ag6 56.3(5) 2_564 .
N18 Ag3 N13 124.3(7) . .
N18 Ag3 N21 116.1(7) . 2_554
N13 Ag3 N21 118.4(7) . 2_554
C23 Ag4 N16 162.8(9) . .
N17 Ag5 N11 161.6(7) . 2_553
N10 Ag6 N10 180.000(3) . 2_563
N10 Ag6 Ag2 59.5(5) . .
N10 Ag6 Ag2 120.5(5) 2_563 .
N10 Ag6 Ag2 120.5(5) . 2_563
N10 Ag6 Ag2 59.5(5) 2_563 2_563
Ag2 Ag6 Ag2 180.000(1) . 2_563
N19 Ag7 N7 151.1(7) . .
N19 Ag7 O3 113.1(6) . .
N7 Ag7 O3 87.2(6) . .
O60 Si1 O60 180.000(7) 2_653 .
O60 Si1 O28 65.5(13) 2_653 2_653
O60 Si1 O28 114.5(13) . 2_653
O60 Si1 O28 114.5(13) 2_653 .
O60 Si1 O28 65.5(13) . .
O28 Si1 O28 180.000(6) 2_653 .
O60 Si1 O58 64.5(14) 2_653 2_653
O60 Si1 O58 115.5(14) . 2_653
O28 Si1 O58 107.2(12) 2_653 2_653
O28 Si1 O58 72.8(12) . 2_653
O60 Si1 O58 115.5(14) 2_653 .
O60 Si1 O58 64.5(14) . .
O28 Si1 O58 72.8(12) 2_653 .
O28 Si1 O58 107.2(12) . .
O58 Si1 O58 180.000(12) 2_653 .
O60 Si1 O49 68.1(13) 2_653 2_653
O60 Si1 O49 111.9(13) . 2_653
O28 Si1 O49 104.4(12) 2_653 2_653
O28 Si1 O49 75.6(12) . 2_653
O58 Si1 O49 102.1(13) 2_653 2_653
O58 Si1 O49 77.9(13) . 2_653
O60 Si1 O49 111.9(13) 2_653 .
O60 Si1 O49 68.1(13) . .
O28 Si1 O49 75.6(12) 2_653 .
O28 Si1 O49 104.4(12) . .
O58 Si1 O49 77.9(13) 2_653 .
O58 Si1 O49 102.1(13) . .
O49 Si1 O49 180.000(5) 2_653 .
W6 O3 Ag7 128.1(8) . .
W1 O4 W2 137.1(12) . .
W2 O9 W3 136.1(9) . .
W3 O12 W1 136.8(10) . .
W4 O20 Ag1 136.8(10) . 2_654
Si1 O28 O60 53.0(11) . .
Si1 O28 W1 125.5(13) . .
O60 O28 W1 72.6(12) . .
Si1 O28 W4 122.1(12) . .
O60 O28 W4 136.5(16) . .
W1 O28 W4 98.4(9) . .
Si1 O28 W5 115.7(12) . .
O60 O28 W5 130.0(15) . .
W1 O28 W5 95.0(8) . .
W4 O28 W5 92.6(9) . .
W5 O33 W4 138.4(12) . .
W4 O36 W6 135.3(13) 2_653 .
W5 O39 W1 139.0(13) . .
W6 O42 W2 135.3(14) . .
W4 O47 W1 138.8(14) . .
W6 O48 W5 136.9(14) . .
Si1 O49 O60 50.3(11) . .
Si1 O49 W3 125.2(13) . .
O60 O49 W3 75.0(12) . .
Si1 O49 W5 118.4(15) . 2_653
O60 O49 W5 134.0(17) . 2_653
W3 O49 W5 99.5(10) . 2_653
Si1 O49 W6 115.0(13) . 2_653
O60 O49 W6 131.0(15) . 2_653
W3 O49 W6 98.0(12) . 2_653
W5 O49 W6 95.0(10) 2_653 2_653
W6 O50 W3 137.5(18) 2_653 .
W5 O57 W3 141.2(17) 2_653 .
Si1 O58 O60 53.1(12) . .
Si1 O58 W2 129.7(15) . .
O60 O58 W2 76.7(13) . .
Si1 O58 W4 116.8(13) . 2_653
O60 O58 W4 138.0(16) . 2_653
W2 O58 W4 97.8(10) . 2_653
Si1 O58 W6 115.3(12) . .
O60 O58 W6 129.9(16) . .
W2 O58 W6 97.5(10) . .
W4 O58 W6 92.0(9) 2_653 .
Si1 O60 O58 62.4(13) . .
Si1 O60 O28 61.5(12) . .
O58 O60 O28 103.2(18) . .
Si1 O60 O49 61.7(13) . .
O58 O60 O49 97.2(18) . .
O28 O60 O49 98.2(17) . .
Si1 O60 W1 126.6(14) . .
O58 O60 W1 130.0(16) . .
O28 O60 W1 65.2(12) . .
O49 O60 W1 131.7(17) . .
Si1 O60 W2 123.8(15) . .
O58 O60 W2 61.5(12) . .
O28 O60 W2 135.6(16) . .
O49 O60 W2 123.7(15) . .
W1 O60 W2 92.2(8) . .
Si1 O60 W3 122.2(14) . .
O58 O60 W3 127.1(16) . .
O28 O60 W3 125.8(16) . .
O49 O60 W3 60.6(12) . .
W1 O60 W3 91.6(9) . .
W2 O60 W3 90.4(8) . .
W4 O79 W2 138.4(16) 2_653 .
N10 N7 N11 109.2(16) . .
N10 N7 Ag7 119.6(13) . .
N11 N7 Ag7 131.0(13) . .
N10 N8 C19 104.3(17) . .
N10 N8 Ag2 112.3(13) . .
C19 N8 Ag2 142.9(15) . .
N7 N10 N8 109.3(16) . .
N7 N10 Ag6 125.5(13) . .
N8 N10 Ag6 124.9(14) . .
C19 N11 N7 105.7(17) . .
C19 N11 Ag5 130.3(14) . 2_553
N7 N11 Ag5 122.8(14) . 2_553
N17 N13 C17 107.3(16) . .
N17 N13 Ag3 122.7(13) . .
C17 N13 Ag3 130.0(15) . .
N19 N15 C17 107.0(16) . .
N19 N15 Ag2 116.6(12) . 2_563
C17 N15 Ag2 136.3(14) . 2_563
N26 N16 C3 108.7(19) . .
N26 N16 Ag4 111.8(15) . .
C3 N16 Ag4 139.5(16) . .
N19 N17 N13 111.0(16) . .
N19 N17 Ag5 128.2(15) . .
N13 N17 Ag5 120.7(13) . .
C3 N18 N21 103.2(19) . .
C3 N18 Ag3 136.9(16) . .
N21 N18 Ag3 117.3(14) . .
N17 N19 N15 107.9(16) . .
N17 N19 Ag7 124.4(13) . .
N15 N19 Ag7 125.2(13) . .
N26 N21 N18 111.8(18) . .
N26 N21 Ag3 127.1(15) . 2_554
N18 N21 Ag3 118.0(14) . 2_554
N21 N26 N16 108.1(19) . .
C23 N24 Ag1 89.0(18) . .
C23 N24 Ag2 169.3(19) . 2_564
Ag1 N24 Ag2 100.0(8) . 2_564
C2 C1 C11 118(3) . .
C2 C1 H1 120.9 . .
C11 C1 H1 120.9 . .
C21 C2 C1 125(3) . .
C21 C2 Ag1 72(2) . 2_665
C1 C2 Ag1 116(3) . 2_665
C21 C2 H2 117.7 . .
C1 C2 H2 117.7 . .
Ag1 C2 H2 82.3 2_665 .
N16 C3 N18 108(2) . .
N16 C3 C10 128(2) . .
N18 C3 C10 124(2) . .
C20 C4 C5 123(3) . .
C20 C4 H4 118.5 . .
C5 C4 H4 118.5 . .
C14 C5 C4 119(2) . .
C14 C5 H5 120.5 . .
C4 C5 H5 120.5 . .
C7 C6 C9 119(3) . .
C7 C6 H6 120.4 . .
C9 C6 H6 120.4 . .
C6 C7 C18 120(3) . .
C6 C7 H7 120.2 . .
C18 C7 H7 120.2 . .
C9 C8 C22 122(3) . .
C9 C8 H8 118.9 . .
C22 C8 H8 118.9 . .
C8 C9 C6 117(3) . .
C8 C9 H9 121.5 . .
C6 C9 H9 121.5 . .
C12 C10 C21 121(3) . .
C12 C10 C3 118(3) . .
C21 C10 C3 121(3) . .
C1 C11 C12 119(3) . .
C1 C11 H11 120.6 . .
C12 C11 H11 120.6 . .
C10 C12 C11 120(3) . .
C10 C12 H12 120.2 . .
C11 C12 H12 120.2 . .
C5 C14 C15 120(3) . .
C5 C14 H14 119.8 . .
C15 C14 H14 119.8 . .
C16 C15 C14 120(2) . .
C16 C15 H15 120.0 . .
C14 C15 H15 120.0 . .
C15 C16 C20 119(2) . .
C15 C16 C17 120(2) . .
C20 C16 C17 120(2) . .
N13 C17 N15 106.8(17) . .
N13 C17 C16 127(2) . .
N15 C17 C16 125(2) . .
C22 C18 C7 121(2) . .
C22 C18 C19 123(2) . .
C7 C18 C19 116(2) . .
N11 C19 N8 111.5(18) . .
N11 C19 C18 124.0(19) . .
N8 C19 C18 124(2) . .
C4 C20 C16 118(2) . .
C4 C20 H20 120.8 . .
C16 C20 H20 120.8 . .
C2 C21 C10 118(3) . .
C2 C21 Ag1 72(2) . 2_665
C10 C21 Ag1 111(3) . 2_665
C2 C21 H21 121.2 . .
C10 C21 H21 121.2 . .
Ag1 C21 H21 86.7 2_665 .
C18 C22 C8 121(3) . .
C18 C22 H22 119.4 . .
C8 C22 H22 119.4 . .
N24 C23 Ag4 173(2) . .
N24 C23 Ag1 64.9(16) . .
Ag4 C23 Ag1 119.4(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O46 1.68(2) .
W1 O4 1.858(17) .
W1 O39 1.90(2) .
W1 O47 1.904(18) .
W1 O12 1.937(14) .
W1 O28 2.30(2) .
W1 O60 2.42(3) .
W2 O38 1.67(2) .
W2 O9 1.869(14) .
W2 O79 1.91(2) .
W2 O4 1.926(17) .
W2 O42 1.96(2) .
W2 O58 2.22(3) .
W2 O60 2.46(3) .
W3 O29 1.64(2) .
W3 O12 1.852(15) .
W3 O50 1.89(3) .
W3 O9 1.923(16) .
W3 O57 1.94(3) .
W3 O49 2.25(3) .
W3 O60 2.49(3) .
W4 O20 1.678(16) .
W4 O79 1.86(3) 2_653
W4 O47 1.86(2) .
W4 O36 1.88(2) 2_653
W4 O33 1.91(2) .
W4 O28 2.36(2) .
W4 O58 2.44(3) 2_653
W5 O6 1.682(13) .
W5 O57 1.79(3) 2_653
W5 O33 1.83(2) .
W5 O39 1.87(2) .
W5 O48 1.95(2) .
W5 O49 2.37(2) 2_653
W5 O28 2.48(2) .
W6 O3 1.696(16) .
W6 O48 1.84(2) .
W6 O42 1.84(2) .
W6 O50 1.89(3) 2_653
W6 O36 1.93(2) .
W6 O49 2.41(3) 2_653
W6 O58 2.45(3) .
Ag1 C21 2.18(4) 2_665
Ag1 C2 2.18(4) 2_665
Ag1 N24 2.34(2) .
Ag1 O20 2.534(19) 2_654
Ag1 C23 2.58(3) .
Ag2 N8 2.173(17) .
Ag2 N15 2.195(18) 2_563
Ag2 N24 2.51(2) 2_564
Ag2 Ag6 3.369(2) .
Ag3 N18 2.19(2) .
Ag3 N13 2.225(17) .
Ag3 N21 2.247(19) 2_554
Ag4 C23 2.10(3) .
Ag4 N16 2.158(19) .
Ag5 N17 2.156(16) .
Ag5 N11 2.170(18) 2_553
Ag6 N10 2.134(18) .
Ag6 N10 2.134(18) 2_563
Ag6 Ag2 3.369(2) 2_563
Ag7 N19 2.240(17) .
Ag7 N7 2.314(16) .
Ag7 O3 2.473(16) .
Si1 O60 1.50(2) 2_653
Si1 O60 1.50(2) .
Si1 O28 1.65(2) 2_653
Si1 O28 1.65(2) .
Si1 O58 1.66(3) 2_653
Si1 O58 1.66(3) .
Si1 O49 1.71(3) 2_653
Si1 O49 1.71(3) .
O20 Ag1 2.534(19) 2_654
O28 O60 1.70(4) .
O36 W4 1.88(2) 2_653
O49 O60 1.81(4) .
O49 W5 2.37(2) 2_653
O49 W6 2.41(3) 2_653
O50 W6 1.89(3) 2_653
O57 W5 1.79(3) 2_653
O58 O60 1.69(4) .
O58 W4 2.44(3) 2_653
O79 W4 1.86(3) 2_653
N7 N10 1.30(2) .
N7 N11 1.30(2) .
N8 N10 1.31(2) .
N8 C19 1.32(3) .
N11 C19 1.29(3) .
N11 Ag5 2.170(18) 2_553
N13 N17 1.33(3) .
N13 C17 1.35(3) .
N15 N19 1.35(2) .
N15 C17 1.38(3) .
N15 Ag2 2.195(18) 2_563
N16 N26 1.33(3) .
N16 C3 1.36(3) .
N17 N19 1.30(2) .
N18 C3 1.37(3) .
N18 N21 1.40(3) .
N21 N26 1.28(3) .
N21 Ag3 2.247(19) 2_554
N24 C23 1.14(3) .
N24 Ag2 2.51(2) 2_564
C1 C2 1.35(4) .
C1 C11 1.39(4) .
C1 H1 0.9500 .
C2 C21 1.34(4) .
C2 Ag1 2.18(4) 2_665
C2 H2 0.9500 .
C3 C10 1.44(4) .
C4 C20 1.33(4) .
C4 C5 1.37(4) .
C4 H4 0.9500 .
C5 C14 1.34(4) .
C5 H5 0.9500 .
C6 C7 1.39(4) .
C6 C9 1.46(5) .
C6 H6 0.9500 .
C7 C18 1.41(3) .
C7 H7 0.9500 .
C8 C9 1.37(4) .
C8 C22 1.38(4) .
C8 H8 0.9500 .
C9 H9 0.9500 .
C10 C12 1.33(4) .
C10 C21 1.42(4) .
C11 C12 1.44(4) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C14 C15 1.38(4) .
C14 H14 0.9500 .
C15 C16 1.38(3) .
C15 H15 0.9500 .
C16 C20 1.41(3) .
C16 C17 1.41(3) .
C18 C22 1.33(4) .
C18 C19 1.51(3) .
C20 H20 0.9500 .
C21 Ag1 2.18(4) 2_665
C21 H21 0.9500 .
C22 H22 0.9500 .
