#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:17:08 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180176 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/72/7107232.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_7107232
loop_
_publ_author_name
'Yun-Peng Xie'
'Thomas Mak'
_publ_section_title
;
 A pyrovanadate-templated silver(I)-ethynide cluster circumscribed by
 macrocyclic polyoxovanadate(V)
;
_journal_name_full               Chem.Commun.
_journal_page_first              1123
_journal_paper_doi               10.1039/c2cc16756e
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'C204 H342 Ag44 N10 O110 V36'
_chemical_formula_weight         11275.00
_chemical_name_systematic
;
?
;
_space_group_IT_number           122
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.250(3)
_cell_length_b                   20.250(3)
_cell_length_c                   84.201(19)
_cell_measurement_temperature    293(2)
_cell_volume                     34528(11)
_computing_cell_refinement       SAINT(Bruker,2001)
_computing_data_collection       APEX2(Bruker,2003)
_computing_data_reduction        APEX2(Bruker,2003)
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.1402
_diffrn_reflns_av_sigmaI/netI    0.0578
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       110
_diffrn_reflns_limit_l_min       -66
_diffrn_reflns_number            303614
_diffrn_reflns_theta_full        27.92
_diffrn_reflns_theta_max         27.92
_diffrn_reflns_theta_min         1.24
_exptl_absorpt_coefficient_mu    3.417
_exptl_absorpt_correction_T_max  0.80
_exptl_absorpt_correction_T_min  0.732
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orang
_exptl_crystal_density_diffrn    2.169
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             21648
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.260
_refine_diff_density_min         -1.164
_refine_diff_density_rms         0.232
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.55(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     673
_refine_ls_number_reflns         20693
_refine_ls_number_restraints     40
_refine_ls_restrained_S_all      1.096
_refine_ls_R_factor_all          0.1355
_refine_ls_R_factor_gt           0.0981
_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)+(0.0576P)²+1866.1066P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2236
_refine_ls_wR_factor_ref         0.2448
_reflns_number_gt                14768
_reflns_number_total             20693
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc16756e.txt
_cod_data_source_block           22
_cod_original_cell_volume        34526(10)
_cod_original_sg_symbol_H-M      I-42d
_cod_database_code               7107232
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'y, -x, -z'
'-y, x, -z'
'-x+1/2, y, -z+3/4'
'x+1/2, -y, -z+3/4'
'-y+1/2, -x, z+3/4'
'y+1/2, x, z+3/4'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'-x+1, y+1/2, -z+5/4'
'x+1, -y+1/2, -z+5/4'
'-y+1, -x+1/2, z+5/4'
'y+1, x+1/2, z+5/4'
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 0.48540(13) 0.42556(11) 0.08435(2) 0.0847(6) Uani 1 1 d .
Ag2 Ag 0.41338(9) 0.40060(8) 0.05331(2) 0.0593(4) Uani 1 1 d .
Ag3 Ag 0.55235(9) 0.40848(9) 0.05357(2) 0.0610(4) Uani 1 1 d .
Ag4 Ag 0.49406(9) 0.28086(8) 0.042691(19) 0.0604(4) Uani 1 1 d .
Ag5 Ag 0.3892(2) 0.5194(2) 0.10196(6) 0.187(2) Uani 1 1 d .
Ag6 Ag 0.57905(7) 0.34066(7) 0.016126(19) 0.0477(3) Uani 1 1 d .
Ag7 Ag 0.43499(7) 0.33549(7) 0.013921(19) 0.0469(3) Uani 1 1 d .
Ag8 Ag 0.52853(8) 0.25881(8) -0.01160(2) 0.0564(4) Uani 1 1 d .
Ag9 Ag 0.59860(9) 0.24178(11) -0.04065(2) 0.0741(5) Uani 1 1 d .
Ag10 Ag 0.70409(9) 0.46555(8) 0.05311(2) 0.0614(4) Uani 1 1 d .
Ag11 Ag 0.39264(8) 0.25787(9) -0.02309(2) 0.0645(4) Uani 1 1 d .
V1 V 0.22896(19) 0.2097(2) -0.02702(6) 0.0674(11) Uani 1 1 d .
V2 V 0.6647(2) 0.27284(19) 0.05121(5) 0.0658(10) Uani 1 1 d .
V3 V 0.3240(2) 0.24853(19) 0.04073(5) 0.0626(10) Uani 1 1 d .
V4 V 0.2916(3) 0.4040(3) 0.08441(5) 0.0875(15) Uani 1 1 d .
V5 V 0.71797(16) 0.26353(17) -0.00628(4) 0.0531(8) Uani 1 1 d .
V6 V 0.3245(3) 0.6355(3) 0.08405(6) 0.0942(16) Uani 1 1 d .
V7 V 0.2356(3) 0.5352(3) 0.10432(6) 0.110(2) Uani 1 1 d .
V8 V 0.7202(2) 0.2158(3) -0.06853(6) 0.0827(14) Uani 1 1 d .
V9 V 0.41485(15) 0.49700(15) 0.02249(3) 0.0403(6) Uani 1 1 d .
O1 O 0.2231(7) 0.2732(6) -0.0424(2) 0.062(4) Uani 1 1 d .
O2 O 0.5967(8) 0.2283(8) 0.0513(2) 0.080(5) Uani 1 1 d .
O3 O 0.6526(6) 0.3422(6) 0.04099(16) 0.049(3) Uani 1 1 d .
O4 O 0.6959(7) 0.3326(8) 0.0031(2) 0.070(4) Uani 1 1 d .
O5 O 0.2873(9) 0.2280(8) 0.0221(2) 0.080(5) Uani 1 1 d .
O6 O 0.3362(11) 0.3284(7) 0.0406(2) 0.083(5) Uani 1 1 d .
O7 O 0.3931(9) 0.2103(8) 0.0431(2) 0.079(5) Uani 1 1 d .
O8 O 0.2092(7) 0.2443(6) -0.00766(18) 0.059(4) Uani 1 1 d .
O9 O 0.3039(8) 0.1791(7) -0.0265(3) 0.084(6) Uani 1 1 d .
O10 O 0.1805(14) 0.1499(10) -0.0318(3) 0.131(10) Uani 1 1 d .
O11 O 0.3134(11) 0.7040(10) 0.0716(2) 0.098(6) Uani 1 1 d .
O12 O 0.6519(7) 0.2229(7) -0.0139(2) 0.064(4) Uani 1 1 d .
O13 O 0.3552(13) 0.4045(11) 0.0955(2) 0.105(7) Uani 1 1 d .
O14 O 0.2483(13) 0.6096(12) 0.0927(3) 0.118(8) Uani 1 1 d .
O15 O 0.3753(12) 0.6512(13) 0.0977(2) 0.117(8) Uani 1 1 d .
O16 O 0.1629(18) 0.5401(14) 0.1130(3) 0.183(16) Uani 1 1 d .
O17 O 0.3099(8) 0.4233(7) 0.0662(2) 0.070(4) Uani 1 1 d .
O18 O 0.2381(9) 0.4614(10) 0.0921(2) 0.090(6) Uani 1 1 d .
O19 O 0.2606(11) 0.3227(11) 0.0843(3) 0.110(8) Uani 1 1 d .
O20 O 0.7713(11) 0.1595(14) -0.0762(3) 0.137(11) Uani 1 1 d .
O21 O 0.2718(10) 0.2288(9) 0.0578(2) 0.087(5) Uani 1 1 d .
O22 O 0.6445(8) 0.4283(9) 0.07374(18) 0.072(5) Uani 1 1 d .
O23 O 0.6654(11) 0.1796(10) -0.0566(3) 0.109(7) Uani 1 1 d .
O24 O 0.2999(15) 0.5292(17) 0.1173(3) 0.173(15) Uani 1 1 d .
O25 O 0.4050(6) 0.5039(6) 0.04248(12) 0.044(3) Uani 1 1 d .
O26 O 0.5000 0.5000 0.0177(2) 0.063(6) Uani 1 2 d S
O27 O 0.3787(6) 0.4284(6) 0.01598(17) 0.048(3) Uani 1 1 d .
O28 O 0.6230(6) 0.4398(5) 0.01422(15) 0.043(3) Uani 1 1 d .
C1 C 0.5125(10) 0.2585(9) 0.0161(2) 0.050(5) Uani 1 1 d .
C2 C 0.5183(13) 0.2005(10) 0.0144(3) 0.073(7) Uani 1 1 d .
C3 C 0.5290(16) 0.1294(17) 0.0158(3) 0.107(10) Uiso 1 1 d D
C4 C 0.5001(19) 0.103(2) 0.0311(4) 0.140(14) Uiso 1 1 d D
H4A H 0.5076 0.0558 0.0316 0.210 Uiso 1 1 calc R
H4B H 0.4535 0.1112 0.0314 0.210 Uiso 1 1 calc R
H4C H 0.5209 0.1237 0.0400 0.210 Uiso 1 1 calc R
C5 C 0.520(2) 0.101(2) -0.0008(4) 0.161(17) Uiso 1 1 d D
H5A H 0.5263 0.0537 -0.0005 0.242 Uiso 1 1 calc R
H5B H 0.5511 0.1201 -0.0080 0.242 Uiso 1 1 calc R
H5C H 0.4758 0.1099 -0.0045 0.242 Uiso 1 1 calc R
C6 C 0.6036(17) 0.114(3) 0.0177(7) 0.25(3) Uiso 1 1 d D
H6A H 0.6097 0.0669 0.0185 0.372 Uiso 1 1 calc R
H6B H 0.6200 0.1347 0.0272 0.372 Uiso 1 1 calc R
H6C H 0.6274 0.1301 0.0087 0.372 Uiso 1 1 calc R
C7 C 0.4877(11) 0.3437(11) 0.0661(2) 0.060(6) Uani 1 1 d .
C8 C 0.4797(15) 0.3000(11) 0.0768(2) 0.074(7) Uani 1 1 d .
C9 C 0.4706(11) 0.2428(11) 0.0873(2) 0.081(9) Uani 1 1 d D
C10 C 0.5140(18) 0.1845(19) 0.0833(6) 0.18(2) Uiso 1 1 d D
H10A H 0.5055 0.1493 0.0906 0.277 Uiso 1 1 calc R
H10B H 0.5595 0.1973 0.0840 0.277 Uiso 1 1 calc R
H10C H 0.5044 0.1698 0.0727 0.277 Uiso 1 1 calc R
C11 C 0.4002(13) 0.218(2) 0.0850(6) 0.17(2) Uiso 1 1 d D
H11A H 0.3925 0.1811 0.0918 0.261 Uiso 1 1 calc R
H11B H 0.3940 0.2054 0.0741 0.261 Uiso 1 1 calc R
H11C H 0.3698 0.2530 0.0876 0.261 Uiso 1 1 calc R
C12 C 0.470(2) 0.2785(19) 0.1035(3) 0.133(14) Uiso 1 1 d D
H12A H 0.4640 0.2466 0.1118 0.200 Uiso 1 1 calc R
H12B H 0.4338 0.3094 0.1037 0.200 Uiso 1 1 calc R
H12C H 0.5106 0.3015 0.1050 0.200 Uiso 1 1 calc R
C13 C 0.4921(12) 0.2207(9) -0.0342(3) 0.063(6) Uani 1 1 d .
C14 C 0.8192(9) 0.4648(11) 0.0435(3) 0.060(6) Uani 1 1 d .
C15 C 0.8782(13) 0.4381(14) 0.0521(3) 0.106(11) Uani 1 1 d D
C16 C 0.8928(14) 0.4951(16) 0.0637(4) 0.122(13) Uani 1 1 d D
H16A H 0.8605 0.4951 0.0720 0.182 Uiso 1 1 calc R
H16B H 0.8911 0.5363 0.0581 0.182 Uiso 1 1 calc R
H16C H 0.9360 0.4892 0.0682 0.182 Uiso 1 1 calc R
C17 C 0.9282(13) 0.4353(16) 0.0389(4) 0.104(11) Uani 1 1 d D
H17A H 0.9339 0.4786 0.0344 0.157 Uiso 1 1 calc R
H17B H 0.9130 0.4056 0.0307 0.157 Uiso 1 1 calc R
H17C H 0.9696 0.4198 0.0430 0.157 Uiso 1 1 calc R
C18 C 0.8560(11) 0.3812(15) 0.0626(4) 0.109(12) Uani 1 1 d D
H18A H 0.8240 0.3968 0.0701 0.163 Uiso 1 1 calc R
H18B H 0.8934 0.3635 0.0682 0.163 Uiso 1 1 calc R
H18C H 0.8366 0.3472 0.0561 0.163 Uiso 1 1 calc R
C19 C 0.5000 0.5000 0.1018(5) 0.083(10) Uiso 1 2 d S
C20 C 0.5000 0.5000 0.1173(6) 0.105(14) Uiso 1 2 d S
C21 C 0.5000 0.5000 0.1357(8) 0.17(3) Uiso 1 2 d SD
C22 C 0.491(5) 0.4253(14) 0.1385(11) 0.16(2) Uiso 0.50 1 d PD
C23 C 0.566(3) 0.535(4) 0.1396(12) 0.16(2) Uiso 0.50 1 d PD
C22' C 0.561(3) 0.458(4) 0.1390(12) 0.16(2) Uiso 0.50 1 d PD
N1 N 0.7812(13) 0.1223(14) 0.0872(3) 0.105(8) Uiso 1 1 d D
N2 N 0.0623(16) 0.2018(15) 0.0267(4) 0.130(11) Uiso 1 1 d D
N3 N 0.199(3) 0.2500 0.1250 0.17(2) Uiso 1 2 d SD
C24 C 0.7144(12) 0.0455(14) 0.0676(3) 0.108(10) Uiso 1 1 d GD
C25 C 0.7310(14) -0.0211(16) 0.0679(3) 0.21(3) Uiso 1 1 d G
H25 H 0.7745 -0.0338 0.0697 0.254 Uiso 1 1 calc R
C26 C 0.682(2) -0.0688(12) 0.0657(4) 0.159(18) Uiso 1 1 d G
H26 H 0.6936 -0.1133 0.0659 0.191 Uiso 1 1 calc R
C27 C 0.6174(18) -0.0499(16) 0.0631(4) 0.25(3) Uiso 1 1 d G
H27 H 0.5849 -0.0817 0.0616 0.296 Uiso 1 1 calc R
C28 C 0.6008(11) 0.0167(19) 0.0628(4) 0.23(3) Uiso 1 1 d G
H28 H 0.5572 0.0294 0.0611 0.277 Uiso 1 1 calc R
C29 C 0.6493(14) 0.0644(13) 0.0651(3) 0.104(10) Uiso 1 1 d G
H29 H 0.6382 0.1090 0.0649 0.124 Uiso 1 1 calc R
C30 C 0.767(2) 0.099(2) 0.0709(4) 0.22(3) Uiso 1 1 d D
H30A H 0.8081 0.0829 0.0665 0.264 Uiso 1 1 calc R
H30B H 0.7544 0.1374 0.0647 0.264 Uiso 1 1 calc R
C31 C 0.7202(17) 0.1548(19) 0.0920(4) 0.140(15) Uiso 1 1 d D
H31A H 0.6846 0.1229 0.0913 0.167 Uiso 1 1 calc R
H31B H 0.7108 0.1896 0.0844 0.167 Uiso 1 1 calc R
C32 C 0.719(3) 0.185(3) 0.1087(5) 0.18(2) Uiso 1 1 d D
H32A H 0.6772 0.2050 0.1106 0.270 Uiso 1 1 calc R
H32B H 0.7534 0.2178 0.1095 0.270 Uiso 1 1 calc R
H32C H 0.7270 0.1509 0.1164 0.270 Uiso 1 1 calc R
C33 C 0.837(2) 0.168(2) 0.0881(6) 0.19(2) Uiso 1 1 d D
H33A H 0.8771 0.1448 0.0853 0.223 Uiso 1 1 calc R
H33B H 0.8414 0.1835 0.0989 0.223 Uiso 1 1 calc R
C34 C 0.829(2) 0.226(2) 0.0774(5) 0.139(15) Uiso 1 1 d D
H34A H 0.8664 0.2540 0.0783 0.209 Uiso 1 1 calc R
H34B H 0.7896 0.2496 0.0804 0.209 Uiso 1 1 calc R
H34C H 0.8245 0.2106 0.0667 0.209 Uiso 1 1 calc R
C35 C 0.777(3) 0.069(3) 0.0987(8) 0.29(3) Uiso 1 1 d D
H35A H 0.7379 0.0431 0.0969 0.347 Uiso 1 1 calc R
H35B H 0.7755 0.0869 0.1094 0.347 Uiso 1 1 calc R
C36 C 0.839(3) 0.025(4) 0.0968(9) 0.29(3) Uiso 1 1 d D
H36A H 0.8361 -0.0118 0.1038 0.434 Uiso 1 1 calc R
H36B H 0.8779 0.0506 0.0993 0.434 Uiso 1 1 calc R
H36C H 0.8421 0.0100 0.0860 0.434 Uiso 1 1 calc R
C37 C 0.015(3) 0.254(3) 0.0023(6) 0.272(16) Uiso 1 1 d GD
C38 C -0.045(4) 0.286(3) 0.0049(5) 0.272(16) Uiso 1 1 d G
H38 H -0.0579 0.2969 0.0152 0.327 Uiso 1 1 calc R
C39 C -0.085(2) 0.302(2) -0.0079(9) 0.272(16) Uiso 1 1 d G
H39 H -0.1254 0.3232 -0.0062 0.327 Uiso 1 1 calc R
C40 C -0.066(3) 0.286(2) -0.0233(7) 0.272(16) Uiso 1 1 d G
H40 H -0.0930 0.2963 -0.0318 0.327 Uiso 1 1 calc R
C41 C -0.006(3) 0.254(2) -0.0258(5) 0.272(16) Uiso 1 1 d G
H41 H 0.0068 0.2431 -0.0361 0.327 Uiso 1 1 calc R
C42 C 0.0343(19) 0.238(2) -0.0130(9) 0.272(16) Uiso 1 1 d G
H42 H 0.0744 0.2167 -0.0148 0.327 Uiso 1 1 calc R
C43 C 0.060(2) 0.2631(17) 0.0178(4) 0.141(15) Uiso 1 1 d D
H43A H 0.1047 0.2754 0.0146 0.169 Uiso 1 1 calc R
H43B H 0.0427 0.2981 0.0244 0.169 Uiso 1 1 calc R
C44 C 0.061(3) 0.151(4) 0.0145(10) 0.41(7) Uiso 1 1 d D
H44A H 0.0372 0.1700 0.0056 0.492 Uiso 1 1 calc R
H44B H 0.0339 0.1156 0.0186 0.492 Uiso 1 1 calc R
C45 C 0.124(3) 0.119(3) 0.0076(6) 0.20(2) Uiso 1 1 d D
H45A H 0.1119 0.0832 0.0007 0.307 Uiso 1 1 calc R
H45B H 0.1509 0.1021 0.0161 0.307 Uiso 1 1 calc R
H45C H 0.1487 0.1512 0.0017 0.307 Uiso 1 1 calc R
C46 C 0.133(2) 0.200(3) 0.0294(9) 0.36(6) Uiso 1 1 d D
H46A H 0.1446 0.2372 0.0361 0.433 Uiso 1 1 calc R
H46B H 0.1549 0.2067 0.0193 0.433 Uiso 1 1 calc R
C47 C 0.159(5) 0.136(4) 0.0371(13) 0.44(8) Uiso 1 1 d D
H47A H 0.2062 0.1394 0.0386 0.667 Uiso 1 1 calc R
H47B H 0.1501 0.0991 0.0302 0.667 Uiso 1 1 calc R
H47C H 0.1381 0.1290 0.0471 0.667 Uiso 1 1 calc R
C48 C -0.003(3) 0.207(4) 0.0334(12) 0.48(8) Uiso 1 1 d D
H48A H -0.0178 0.1666 0.0385 0.572 Uiso 1 1 calc R
H48B H -0.0357 0.2223 0.0258 0.572 Uiso 1 1 calc R
C49 C 0.019(4) 0.264(4) 0.0460(8) 0.28(4) Uiso 1 1 d .
H49A H -0.0168 0.2730 0.0530 0.416 Uiso 1 1 calc R
H49B H 0.0313 0.3029 0.0403 0.416 Uiso 1 1 calc R
H49C H 0.0564 0.2481 0.0520 0.416 Uiso 1 1 calc R
C51 C 0.282(3) 0.174(4) 0.1212(9) 0.31(4) Uiso 1 1 d D
H51A H 0.3079 0.1490 0.1137 0.471 Uiso 1 1 calc R
H51B H 0.2592 0.1441 0.1281 0.471 Uiso 1 1 calc R
H51C H 0.3111 0.2015 0.1274 0.471 Uiso 1 1 calc R
C50 C 0.233(3) 0.217(3) 0.1124(5) 0.18(2) Uiso 1 1 d D
H50A H 0.2548 0.2480 0.1054 0.221 Uiso 1 1 calc R
H50B H 0.2026 0.1901 0.1061 0.221 Uiso 1 1 calc R
C52 C 0.157(4) 0.292(3) 0.1152(9) 0.30(4) Uiso 1 1 d D
H52A H 0.1140 0.2715 0.1137 0.360 Uiso 1 1 calc R
H52B H 0.1770 0.2984 0.1048 0.360 Uiso 1 1 calc R
C53 C 0.150(5) 0.357(4) 0.1238(11) 0.34(5) Uiso 1 1 d D
H53A H 0.1211 0.3856 0.1179 0.515 Uiso 1 1 calc R
H53B H 0.1927 0.3776 0.1247 0.515 Uiso 1 1 calc R
H53C H 0.1323 0.3497 0.1342 0.515 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
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'
V V 0.3005 0.5294 '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'
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
C19 Ag1 C7 170.7(6) . .
C19 Ag1 C8 149.4(9) . .
C7 Ag1 C8 28.9(6) . .
C19 Ag1 Ag3 128.9(6) . .
C7 Ag1 Ag3 46.1(6) . .
C8 Ag1 Ag3 72.0(5) . .
C19 Ag1 Ag2 141.3(5) . .
C7 Ag1 Ag2 45.7(4) . .
C8 Ag1 Ag2 66.9(5) . .
Ag3 Ag1 Ag2 56.21(6) . .
C19 Ag1 Ag1 43.8(8) . 2_665
C7 Ag1 Ag1 135.7(5) . 2_665
C8 Ag1 Ag1 163.6(5) . 2_665
Ag3 Ag1 Ag1 91.52(7) . 2_665
Ag2 Ag1 Ag1 104.82(7) . 2_665
C19 Ag1 Ag5 47.32(12) . .
C7 Ag1 Ag5 141.9(6) . .
C8 Ag1 Ag5 133.1(6) . .
Ag3 Ag1 Ag5 141.48(12) . .
Ag2 Ag1 Ag5 102.23(13) . .
Ag1 Ag1 Ag5 61.29(11) 2_665 .
C19 Ag1 Ag5 46.40(9) . 2_665
C7 Ag1 Ag5 124.3(6) . 2_665
C8 Ag1 Ag5 119.6(7) . 2_665
Ag3 Ag1 Ag5 94.86(13) . 2_665
Ag2 Ag1 Ag5 148.52(14) . 2_665
Ag1 Ag1 Ag5 59.78(11) 2_665 2_665
Ag5 Ag1 Ag5 93.72(17) . 2_665
C7 Ag2 O25 137.0(7) . .
C7 Ag2 O6 110.4(8) . .
O25 Ag2 O6 109.3(4) . .
C7 Ag2 O17 118.7(6) . .
O25 Ag2 O17 86.6(5) . .
O6 Ag2 O17 75.5(6) . .
C7 Ag2 Ag3 48.5(6) . .
O25 Ag2 Ag3 91.5(3) . .
O6 Ag2 Ag3 133.6(5) . .
O17 Ag2 Ag3 148.9(4) . .
C7 Ag2 Ag1 48.0(6) . .
O25 Ag2 Ag1 103.1(3) . .
O6 Ag2 Ag1 143.3(4) . .
O17 Ag2 Ag1 89.9(4) . .
Ag3 Ag2 Ag1 60.28(7) . .
C7 Ag2 Ag4 49.9(5) . .
O25 Ag2 Ag4 130.4(3) . .
O6 Ag2 Ag4 74.5(4) . .
O17 Ag2 Ag4 138.5(4) . .
Ag3 Ag2 Ag4 60.90(6) . .
Ag1 Ag2 Ag4 97.30(7) . .
C7 Ag2 V9 134.9(6) . .
O25 Ag2 V9 29.9(3) . .
O6 Ag2 V9 90.8(4) . .
O17 Ag2 V9 104.7(4) . .
Ag3 Ag2 V9 87.88(8) . .
Ag1 Ag2 V9 125.70(9) . .
Ag4 Ag2 V9 103.78(8) . .
C7 Ag3 O25 162.6(6) . 2_665
C7 Ag3 O22 102.5(7) . .
O25 Ag3 O22 82.4(5) 2_665 .
C7 Ag3 Ag2 49.9(5) . .
O25 Ag3 Ag2 116.0(3) 2_665 .
O22 Ag3 Ag2 138.0(4) . .
C7 Ag3 Ag1 49.8(6) . .
O25 Ag3 Ag1 117.6(3) 2_665 .
O22 Ag3 Ag1 74.5(4) . .
Ag2 Ag3 Ag1 63.51(7) . .
C7 Ag3 Ag4 51.4(6) . .
O25 Ag3 Ag4 136.8(3) 2_665 .
O22 Ag3 Ag4 128.9(4) . .
Ag2 Ag3 Ag4 63.50(6) . .
Ag1 Ag3 Ag4 100.93(8) . .
C7 Ag3 Ag10 142.9(5) . .
O25 Ag3 Ag10 48.6(3) 2_665 .
O22 Ag3 Ag10 43.1(4) . .
Ag2 Ag3 Ag10 162.60(8) . .
Ag1 Ag3 Ag10 113.57(8) . .
Ag4 Ag3 Ag10 132.16(7) . .
C1 Ag4 C7 157.9(7) . .
C1 Ag4 O2 93.7(7) . .
C7 Ag4 O2 92.0(7) . .
C1 Ag4 O7 91.8(7) . .
C7 Ag4 O7 104.8(7) . .
O2 Ag4 O7 116.3(5) . .
C1 Ag4 Ag7 48.5(5) . .
C7 Ag4 Ag7 117.9(4) . .
O2 Ag4 Ag7 139.4(4) . .
O7 Ag4 Ag7 83.8(3) . .
C1 Ag4 Ag3 113.7(5) . .
C7 Ag4 Ag3 45.2(6) . .
O2 Ag4 Ag3 87.1(4) . .
O7 Ag4 Ag3 144.7(4) . .
Ag7 Ag4 Ag3 95.08(6) . .
C1 Ag4 Ag2 121.6(4) . .
C7 Ag4 Ag2 45.2(4) . .
O2 Ag4 Ag2 135.5(5) . .
O7 Ag4 Ag2 90.7(3) . .
Ag7 Ag4 Ag2 73.93(6) . .
Ag3 Ag4 Ag2 55.60(6) . .
C1 Ag4 Ag6 44.1(5) . .
C7 Ag4 Ag6 115.4(6) . .
O2 Ag4 Ag6 84.9(4) . .
O7 Ag4 Ag6 134.0(4) . .
Ag7 Ag4 Ag6 58.39(5) . .
Ag3 Ag4 Ag6 70.15(6) . .
Ag2 Ag4 Ag6 101.52(6) . .
O24 Ag5 C19 144.7(13) . .
O24 Ag5 O13 89.2(11) . .
C19 Ag5 O13 96.4(6) . .
O24 Ag5 C20 115.0(12) . .
C19 Ag5 C20 29.8(12) . .
O13 Ag5 C20 101.8(6) . .
O24 Ag5 V6 82.6(7) . .
C19 Ag5 V6 123.2(6) . .
O13 Ag5 V6 119.3(5) . .
C20 Ag5 V6 136.0(3) . .
O24 Ag5 Ag1 147.3(9) . .
C19 Ag5 Ag1 43.4(7) . .
O13 Ag5 Ag1 59.7(6) . .
C20 Ag5 Ag1 66.8(8) . .
V6 Ag5 Ag1 120.02(18) . .
O24 Ag5 V7 31.7(8) . .
C19 Ag5 V7 174.7(7) . .
O13 Ag5 V7 80.5(6) . .
C20 Ag5 V7 146.6(9) . .
V6 Ag5 V7 62.09(18) . .
Ag1 Ag5 V7 135.8(2) . .
O24 Ag5 Ag1 153.6(10) . 2_665
C19 Ag5 Ag1 42.6(7) . 2_665
O13 Ag5 Ag1 116.9(5) . 2_665
C20 Ag5 Ag1 66.0(8) . 2_665
V6 Ag5 Ag1 80.90(16) . 2_665
Ag1 Ag5 Ag1 58.94(10) . 2_665
V7 Ag5 Ag1 142.69(19) . 2_665
C1 Ag6 O28 164.3(6) . .
C1 Ag6 O3 112.0(6) . .
O28 Ag6 O3 79.3(4) . .
C1 Ag6 Ag7 49.0(5) . .
O28 Ag6 Ag7 115.5(3) . .
O3 Ag6 Ag7 129.1(3) . .
C1 Ag6 Ag8 50.5(5) . .
O28 Ag6 Ag8 125.2(3) . .
O3 Ag6 Ag8 145.8(3) . .
Ag7 Ag6 Ag8 66.18(5) . .
C1 Ag6 Ag4 48.8(5) . .
O28 Ag6 Ag4 129.7(3) . .
O3 Ag6 Ag4 74.7(3) . .
Ag7 Ag6 Ag4 58.21(5) . .
Ag8 Ag6 Ag4 98.96(6) . .
O27 Ag7 C1 163.2(6) . .
O27 Ag7 O28 79.0(5) . 3_565
C1 Ag7 O28 106.6(5) . 3_565
O27 Ag7 Ag4 118.0(4) . .
C1 Ag7 Ag4 51.3(5) . .
O28 Ag7 Ag4 153.1(3) 3_565 .
O27 Ag7 Ag6 118.7(3) . .
C1 Ag7 Ag6 46.8(5) . .
O28 Ag7 Ag6 90.5(3) 3_565 .
Ag4 Ag7 Ag6 63.40(6) . .
O27 Ag7 Ag8 139.3(4) . .
C1 Ag7 Ag8 46.3(5) . .
O28 Ag7 Ag8 61.0(3) 3_565 .
Ag4 Ag7 Ag8 97.38(6) . .
Ag6 Ag7 Ag8 58.61(5) . .
C13 Ag8 C1 144.7(8) . .
C13 Ag8 C2 124.7(8) . .
C1 Ag8 C2 28.2(6) . .
C13 Ag8 Ag9 51.5(6) . .
C1 Ag8 Ag9 156.8(5) . .
C2 Ag8 Ag9 137.5(4) . .
C13 Ag8 Ag11 52.3(6) . .
C1 Ag8 Ag11 101.4(5) . .
C2 Ag8 Ag11 102.1(6) . .
Ag9 Ag8 Ag11 100.61(7) . .
C13 Ag8 Ag6 167.5(5) . .
C1 Ag8 Ag6 44.6(5) . .
C2 Ag8 Ag6 67.2(6) . .
Ag9 Ag8 Ag6 123.90(7) . .
Ag11 Ag8 Ag6 125.15(7) . .
C13 Ag8 Ag7 123.1(6) . .
C1 Ag8 Ag7 42.9(4) . .
C2 Ag8 Ag7 66.3(4) . .
Ag9 Ag8 Ag7 156.00(8) . .
Ag11 Ag8 Ag7 70.94(6) . .
Ag6 Ag8 Ag7 55.21(5) . .
C13 Ag9 O23 127.0(8) . .
C13 Ag9 O6 136.9(7) . 4_655
O23 Ag9 O6 94.4(7) . 4_655
C13 Ag9 O12 99.4(7) . .
O23 Ag9 O12 100.9(7) . .
O6 Ag9 O12 81.7(6) 4_655 .
C13 Ag9 O17 97.9(6) . 4_655
O23 Ag9 O17 84.6(7) . 4_655
O6 Ag9 O17 71.7(5) 4_655 4_655
O12 Ag9 O17 153.3(5) . 4_655
C13 Ag9 Ag8 48.8(6) . .
O23 Ag9 Ag8 150.1(6) . .
O6 Ag9 Ag8 101.9(4) 4_655 .
O12 Ag9 Ag8 57.7(3) . .
O17 Ag9 Ag8 124.2(4) 4_655 .
C13 Ag9 Ag10 47.1(5) . 3_565
O23 Ag9 Ag10 120.7(7) . 3_565
O6 Ag9 Ag10 104.7(4) 4_655 3_565
O12 Ag9 Ag10 136.8(3) . 3_565
O17 Ag9 Ag10 51.8(3) 4_655 3_565
Ag8 Ag9 Ag10 79.31(7) . 3_565
O22 Ag10 C13 169.6(7) . 4_655
O22 Ag10 O25 83.3(5) . 2_665
C13 Ag10 O25 106.7(6) 4_655 2_665
O22 Ag10 C14 139.4(7) . .
C13 Ag10 C14 30.4(8) 4_655 .
O25 Ag10 C14 136.9(6) 2_665 .
O22 Ag10 O17 84.4(6) . 2_665
C13 Ag10 O17 99.8(7) 4_655 2_665
O25 Ag10 O17 80.4(5) 2_665 2_665
C14 Ag10 O17 104.7(7) . 2_665
O22 Ag10 Ag11 128.2(5) . 4_655
C13 Ag10 Ag11 50.0(6) 4_655 4_655
O25 Ag10 Ag11 92.7(3) 2_665 4_655
C14 Ag10 Ag11 58.9(5) . 4_655
O17 Ag10 Ag11 146.0(4) 2_665 4_655
O22 Ag10 Ag9 138.2(4) . 4_655
C13 Ag10 Ag9 47.0(6) 4_655 4_655
O25 Ag10 Ag9 88.6(3) 2_665 4_655
C14 Ag10 Ag9 63.8(5) . 4_655
O17 Ag10 Ag9 53.9(4) 2_665 4_655
Ag11 Ag10 Ag9 92.94(7) 4_655 4_655
O22 Ag10 Ag3 50.9(4) . .
C13 Ag10 Ag3 136.0(6) 4_655 .
O25 Ag10 Ag3 41.7(3) 2_665 .
C14 Ag10 Ag3 152.4(5) . .
O17 Ag10 Ag3 101.8(4) 2_665 .
Ag11 Ag10 Ag3 94.37(7) 4_655 .
Ag9 Ag10 Ag3 129.98(7) 4_655 .
O4 Ag11 C13 152.3(7) 3_565 .
O4 Ag11 O9 87.8(5) 3_565 .
C13 Ag11 O9 112.3(6) . .
O4 Ag11 O3 86.1(5) 3_565 3_565
C13 Ag11 O3 109.5(6) . 3_565
O9 Ag11 O3 95.8(5) . 3_565
O4 Ag11 Ag8 104.9(5) 3_565 .
C13 Ag11 Ag8 47.4(6) . .
O9 Ag11 Ag8 138.1(4) . .
O3 Ag11 Ag8 124.4(3) 3_565 .
O4 Ag11 Ag10 140.6(4) 3_565 3_565
C13 Ag11 Ag10 47.9(5) . 3_565
O9 Ag11 Ag10 115.5(5) . 3_565
O3 Ag11 Ag10 61.6(3) 3_565 3_565
Ag8 Ag11 Ag10 79.35(6) . 3_565
O10 V1 O9 106.6(12) . .
O10 V1 O8 112.3(12) . .
O9 V1 O8 109.0(9) . .
O10 V1 O1 108.1(9) . .
O9 V1 O1 110.2(8) . .
O8 V1 O1 110.6(6) . .
O2 V2 O3 110.0(7) . .
O2 V2 O1 106.5(8) . 4_655
O3 V2 O1 111.6(7) . 4_655
O2 V2 O11 109.8(10) . 2_665
O3 V2 O11 107.7(8) . 2_665
O1 V2 O11 111.4(9) 4_655 2_665
O7 V3 O6 110.1(10) . .
O7 V3 O5 110.9(9) . .
O6 V3 O5 106.6(8) . .
O7 V3 O21 107.6(8) . .
O6 V3 O21 108.0(9) . .
O5 V3 O21 113.6(9) . .
O13 V4 O17 111.6(11) . .
O13 V4 O18 106.5(11) . .
O17 V4 O18 109.8(8) . .
O13 V4 O19 107.2(12) . .
O17 V4 O19 107.5(9) . .
O18 V4 O19 114.2(10) . .
O4 V5 O12 112.1(7) . .
O4 V5 O8 108.7(7) . 4_655
O12 V5 O8 106.8(7) . 4_655
O4 V5 O5 106.9(9) . 4_655
O12 V5 O5 109.3(8) . 4_655
O8 V5 O5 113.2(7) 4_655 4_655
O15 V6 O22 106.8(12) . 2_665
O15 V6 O11 111.1(12) . .
O22 V6 O11 110.3(8) 2_665 .
O15 V6 O14 109.2(12) . .
O22 V6 O14 107.9(10) 2_665 .
O11 V6 O14 111.3(11) . .
O15 V6 Ag5 61.3(10) . .
O22 V6 Ag5 60.5(6) 2_665 .
O11 V6 Ag5 161.8(8) . .
O14 V6 Ag5 86.8(8) . .
O16 V7 O24 113.8(14) . .
O16 V7 O18 109.0(15) . .
O24 V7 O18 106.5(13) . .
O16 V7 O14 108.4(12) . .
O24 V7 O14 107.3(15) . .
O18 V7 O14 111.9(9) . .
O16 V7 Ag5 157.3(12) . .
O24 V7 Ag5 43.6(7) . .
O18 V7 Ag5 81.5(6) . .
O14 V7 Ag5 84.9(9) . .
O23 V8 O20 110.2(12) . .
O23 V8 O21 111.2(9) . 4_655
O20 V8 O21 105.8(10) . 4_655
O23 V8 O19 109.8(11) . 4_655
O20 V8 O19 110.7(12) . 4_655
O21 V8 O19 109.1(9) 4_655 4_655
O28 V9 O27 107.8(6) 2_665 .
O28 V9 O25 107.5(6) 2_665 .
O27 V9 O25 110.0(7) . .
O28 V9 O26 109.2(6) 2_665 .
O27 V9 O26 112.4(5) . .
O25 V9 O26 109.7(7) . .
O28 V9 Ag2 143.2(5) 2_665 .
O27 V9 Ag2 75.9(5) . .
O25 V9 Ag2 42.0(4) . .
O26 V9 Ag2 102.2(4) . .
V2 O1 V1 139.1(8) 3_565 .
V2 O2 Ag4 118.1(7) . .
V2 O3 Ag11 122.3(7) . 4_655
V2 O3 Ag6 119.7(7) . .
Ag11 O3 Ag6 86.3(4) 4_655 .
V5 O4 Ag11 133.5(7) . 4_655
V3 O5 V5 128.6(10) . 3_565
V3 O6 Ag2 134.3(10) . .
V3 O6 Ag9 119.0(11) . 3_565
Ag2 O6 Ag9 98.2(5) . 3_565
V3 O7 Ag4 115.8(8) . .
V5 O8 V1 128.3(8) 3_565 .
V1 O9 Ag11 116.1(7) . .
V6 O11 V2 136.9(11) . 2_665
V5 O12 Ag9 127.0(8) . .
V4 O13 Ag5 110.9(11) . .
V6 O14 V7 125.8(14) . .
V4 O17 Ag2 125.3(9) . .
V4 O17 Ag10 127.0(8) . 2_665
Ag2 O17 Ag10 94.1(5) . 2_665
V4 O17 Ag9 128.4(9) . 3_565
Ag2 O17 Ag9 93.2(5) . 3_565
Ag10 O17 Ag9 74.4(4) 2_665 3_565
V4 O18 V7 142.2(13) . .
V4 O19 V8 128.6(12) . 3_565
V8 O21 V3 129.9(10) 3_565 .
V6 O22 Ag10 117.2(9) 2_665 .
V6 O22 Ag3 119.8(9) 2_665 .
Ag10 O22 Ag3 86.0(5) . .
V8 O23 Ag9 120.5(11) . .
V7 O24 Ag5 104.7(11) . .
V9 O25 Ag3 116.3(6) . 2_665
V9 O25 Ag2 108.1(6) . .
Ag3 O25 Ag2 122.9(5) 2_665 .
V9 O25 Ag10 119.1(6) . 2_665
Ag3 O25 Ag10 89.7(4) 2_665 2_665
Ag2 O25 Ag10 98.7(4) . 2_665
V9 O26 V9 153.6(11) . 2_665
V9 O27 Ag7 120.7(6) . .
V9 O28 Ag6 119.3(7) 2_665 .
V9 O28 Ag7 125.8(6) 2_665 4_655
Ag6 O28 Ag7 99.7(4) . 4_655
C2 C1 Ag6 134.9(19) . .
C2 C1 Ag7 139(2) . .
Ag6 C1 Ag7 84.2(6) . .
C2 C1 Ag4 108.9(17) . .
Ag6 C1 Ag4 87.1(7) . .
Ag7 C1 Ag4 80.2(5) . .
C2 C1 Ag8 82.6(16) . .
Ag6 C1 Ag8 84.9(6) . .
Ag7 C1 Ag8 90.7(7) . .
Ag4 C1 Ag8 168.4(9) . .
C1 C2 C3 168(3) . .
C1 C2 Ag8 69.2(14) . .
C3 C2 Ag8 121.5(17) . .
C2 C3 C4 111(3) . .
C2 C3 C5 107(3) . .
C4 C3 C5 126(3) . .
C2 C3 C6 111(4) . .
C4 C3 C6 102.3(16) . .
C5 C3 C6 98(4) . .
C3 C4 H4A 109.5 . .
C3 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C3 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C3 C5 H5A 109.5 . .
C3 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C3 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C3 C6 H6A 109.5 . .
C3 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C3 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C8 C7 Ag3 149(2) . .
C8 C7 Ag2 129(2) . .
Ag3 C7 Ag2 81.6(6) . .
C8 C7 Ag1 91.5(15) . .
Ag3 C7 Ag1 84.1(9) . .
Ag2 C7 Ag1 86.2(7) . .
C8 C7 Ag4 102.9(16) . .
Ag3 C7 Ag4 83.4(6) . .
Ag2 C7 Ag4 84.9(7) . .
Ag1 C7 Ag4 165.6(10) . .
C7 C8 C9 172(2) . .
C7 C8 Ag1 59.5(13) . .
C9 C8 Ag1 128.4(15) . .
C8 C9 C10 114(2) . .
C8 C9 C11 107(3) . .
C10 C9 C11 105.1(16) . .
C8 C9 C12 100(2) . .
C10 C9 C12 125(3) . .
C11 C9 C12 105(3) . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C9 C11 H11A 109.5 . .
C9 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C9 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C9 C12 H12A 109.5 . .
C9 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C9 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C14 C13 Ag8 157.4(18) 3_565 .
C14 C13 Ag9 112.9(18) 3_565 .
Ag8 C13 Ag9 79.7(8) . .
C14 C13 Ag10 83.6(16) 3_565 3_565
Ag8 C13 Ag10 117.1(9) . 3_565
Ag9 C13 Ag10 86.0(7) . 3_565
C14 C13 Ag11 94.5(17) 3_565 .
Ag8 C13 Ag11 80.2(8) . .
Ag9 C13 Ag11 148.6(10) . .
Ag10 C13 Ag11 82.0(7) 3_565 .
C13 C14 C15 167(2) 4_655 .
C13 C14 Ag10 66.1(13) 4_655 .
C15 C14 Ag10 126.7(17) . .
C14 C15 C17 101(2) . .
C14 C15 C18 109(2) . .
C17 C15 C18 127(3) . .
C14 C15 C16 101(2) . .
C17 C15 C16 112(2) . .
C18 C15 C16 105(3) . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C15 C17 H17A 109.5 . .
C15 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C15 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C15 C18 H18A 109.5 . .
C15 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C15 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C20 C19 Ag1 133.8(8) . .
C20 C19 Ag1 133.8(8) . 2_665
Ag1 C19 Ag1 92.4(15) . 2_665
C20 C19 Ag5 89.8(10) . 2_665
Ag1 C19 Ag5 91.0(7) . 2_665
Ag1 C19 Ag5 89.3(7) 2_665 2_665
C20 C19 Ag5 89.8(10) . .
Ag1 C19 Ag5 89.3(7) . .
Ag1 C19 Ag5 91.0(7) 2_665 .
Ag5 C19 Ag5 180(2) 2_665 .
C19 C20 C21 180.000(6) . .
C19 C20 Ag5 60.4(9) . 2_665
C21 C20 Ag5 119.6(9) . 2_665
C19 C20 Ag5 60.4(9) . .
C21 C20 Ag5 119.6(9) . .
Ag5 C20 Ag5 120.9(18) 2_665 .
C22' C21 C22' 159(10) . 2_665
C22' C21 C22 61.1(10) . .
C22' C21 C22 115(3) 2_665 .
C22' C21 C22 115(3) . 2_665
C22' C21 C22 61.1(10) 2_665 2_665
C22 C21 C22 163(9) . 2_665
C22' C21 C23 114(3) . 2_665
C22' C21 C23 61.2(10) 2_665 2_665
C22 C21 C23 55(3) . 2_665
C22 C21 C23 121.1(18) 2_665 2_665
C22' C21 C23 61.2(10) . .
C22' C21 C23 114(3) 2_665 .
C22 C21 C23 121.1(18) . .
C22 C21 C23 55(3) 2_665 .
C23 C21 C23 156(9) 2_665 .
C22' C21 C20 101(5) . .
C22' C21 C20 101(5) 2_665 .
C22 C21 C20 99(4) . .
C22 C21 C20 99(4) 2_665 .
C23 C21 C20 102(5) 2_665 .
C23 C21 C20 102(5) . .
C23 C22 C21 62.9(17) 2_665 .
C23 C22 C22' 120(3) 2_665 .
C21 C22 C22' 59.1(9) . .
C22 C23 C21 62.5(17) 2_665 .
C22 C23 C22' 121.0(17) 2_665 .
C21 C23 C22' 58.9(9) . .
C21 C22' C22 59.8(10) . .
C21 C22' C23 59.9(10) . .
C22 C22' C23 118.6(17) . .
C35 N1 C31 96.1(16) . .
C35 N1 C33 119(4) . .
C31 N1 C33 111(3) . .
C35 N1 C30 112(4) . .
C31 N1 C30 104(3) . .
C33 N1 C30 114(3) . .
C48 N2 C46 148(6) . .
C48 N2 C44 108(6) . .
C46 N2 C44 96.5(17) . .
C48 N2 C43 96.6(17) . .
C46 N2 C43 97.1(16) . .
C44 N2 C43 104(6) . .
C50 N3 C50 123(7) 14_454 .
C50 N3 C52 97(4) 14_454 14_454
C50 N3 C52 115(4) . 14_454
C50 N3 C52 115(4) 14_454 .
C50 N3 C52 97(4) . .
C52 N3 C52 109(8) 14_454 .
C25 C24 C29 120.0 . .
C25 C24 C30 121(3) . .
C29 C24 C30 119(3) . .
C26 C25 C24 120.0 . .
C26 C25 H25 120.0 . .
C24 C25 H25 120.0 . .
C27 C26 C25 120.0 . .
C27 C26 H26 120.0 . .
C25 C26 H26 120.0 . .
C26 C27 C28 120.0 . .
C26 C27 H27 120.0 . .
C28 C27 H27 120.0 . .
C27 C28 C29 120.0 . .
C27 C28 H28 120.0 . .
C29 C28 H28 120.0 . .
C28 C29 C24 120.0 . .
C28 C29 H29 120.0 . .
C24 C29 H29 120.0 . .
N1 C30 C24 122(3) . .
N1 C30 H30A 106.9 . .
C24 C30 H30A 106.9 . .
N1 C30 H30B 106.9 . .
C24 C30 H30B 106.9 . .
H30A C30 H30B 106.7 . .
N1 C31 C32 116(3) . .
N1 C31 H31A 108.2 . .
C32 C31 H31A 108.2 . .
N1 C31 H31B 108.2 . .
C32 C31 H31B 108.2 . .
H31A C31 H31B 107.4 . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
N1 C33 C34 112(4) . .
N1 C33 H33A 109.1 . .
C34 C33 H33A 109.1 . .
N1 C33 H33B 109.1 . .
C34 C33 H33B 109.1 . .
H33A C33 H33B 107.9 . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
N1 C35 C36 108(5) . .
N1 C35 H35A 110.0 . .
C36 C35 H35A 110.0 . .
N1 C35 H35B 110.0 . .
C36 C35 H35B 110.0 . .
H35A C35 H35B 108.4 . .
C35 C36 H36A 109.5 . .
C35 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C35 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C38 C37 C42 120.0 . .
C38 C37 C43 109(6) . .
C42 C37 C43 128(6) . .
C39 C38 C37 120.0 . .
C39 C38 H38 120.0 . .
C37 C38 H38 120.0 . .
C38 C39 C40 120.0 . .
C38 C39 H39 120.0 . .
C40 C39 H39 120.0 . .
C41 C40 C39 120.0 . .
C41 C40 H40 120.0 . .
C39 C40 H40 120.0 . .
C40 C41 C42 120.0 . .
C40 C41 H41 120.0 . .
C42 C41 H41 120.0 . .
C41 C42 C37 120.0 . .
C41 C42 H42 120.0 . .
C37 C42 H42 120.0 . .
N2 C43 C37 110(3) . .
N2 C43 H43A 109.7 . .
C37 C43 H43A 109.7 . .
N2 C43 H43B 109.7 . .
C37 C43 H43B 109.7 . .
H43A C43 H43B 108.2 . .
N2 C44 C45 123(4) . .
N2 C44 H44A 106.5 . .
C45 C44 H44A 106.5 . .
N2 C44 H44B 106.5 . .
C45 C44 H44B 106.5 . .
H44A C44 H44B 106.5 . .
C44 C45 H45A 109.5 . .
C44 C45 H45B 109.5 . .
H45A C45 H45B 109.5 . .
C44 C45 H45C 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
N2 C46 C47 115(6) . .
N2 C46 H46A 108.5 . .
C47 C46 H46A 108.5 . .
N2 C46 H46B 108.5 . .
C47 C46 H46B 108.5 . .
H46A C46 H46B 107.5 . .
C46 C47 H47A 109.5 . .
C46 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
C46 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
N2 C48 C49 93(6) . .
N2 C48 H48A 113.1 . .
C49 C48 H48A 113.1 . .
N2 C48 H48B 113.1 . .
C49 C48 H48B 113.1 . .
H48A C48 H48B 110.5 . .
C48 C49 H49A 109.5 . .
C48 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
C48 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
C50 C51 H51A 109.5 . .
C50 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
C50 C51 H51C 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
N3 C50 C51 103(5) . .
N3 C50 H50A 111.2 . .
C51 C50 H50A 111.2 . .
N3 C50 H50B 111.2 . .
C51 C50 H50B 111.2 . .
H50A C50 H50B 109.1 . .
N3 C52 C53 107(6) . .
N3 C52 H52A 110.4 . .
C53 C52 H52A 110.4 . .
N3 C52 H52B 110.4 . .
C53 C52 H52B 110.4 . .
H52A C52 H52B 108.6 . .
C52 C53 H53A 109.5 . .
C52 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
C52 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 C19 2.13(3) .
Ag1 C7 2.26(2) .
Ag1 C8 2.62(2) .
Ag1 Ag3 2.946(3) .
Ag1 Ag2 3.036(3) .
Ag1 Ag1 3.072(5) 2_665
Ag1 Ag5 3.099(5) .
Ag1 Ag5 3.145(5) 2_665
Ag2 C7 2.179(18) .
Ag2 O25 2.288(13) .
Ag2 O6 2.394(19) .
Ag2 O17 2.405(15) .
Ag2 Ag3 2.819(3) .
Ag2 Ag4 3.057(2) .
Ag2 V9 3.247(3) .
Ag3 C7 2.13(2) .
Ag3 O25 2.184(12) 2_665
Ag3 O22 2.555(16) .
Ag3 Ag4 2.985(3) .
Ag3 Ag10 3.283(3) .
Ag4 C1 2.313(17) .
Ag4 C7 2.35(2) .
Ag4 O2 2.445(15) .
Ag4 O7 2.494(19) .
Ag4 Ag7 2.919(2) .
Ag4 Ag6 3.071(2) .
Ag5 O24 2.23(2) .
Ag5 C19 2.278(4) .
Ag5 O13 2.49(2) .
Ag5 C20 2.62(2) .
Ag5 V6 3.085(7) .
Ag5 V7 3.132(8) .
Ag5 Ag1 3.146(5) 2_665
Ag6 C1 2.14(2) .
Ag6 O28 2.202(12) .
Ag6 O3 2.570(12) .
Ag6 Ag7 2.925(2) .
Ag6 Ag8 3.040(2) .
Ag7 O27 2.206(11) .
Ag7 C1 2.220(18) .
Ag7 O28 2.516(12) 3_565
Ag7 Ag8 3.258(2) .
Ag8 C13 2.18(2) .
Ag8 C1 2.357(18) .
Ag8 C2 2.50(2) .
Ag8 Ag9 2.849(2) .
Ag8 Ag11 2.917(2) .
Ag9 C13 2.27(2) .
Ag9 O23 2.285(18) .
Ag9 O6 2.417(18) 4_655
Ag9 O12 2.526(16) .
Ag9 O17 2.593(18) 4_655
Ag9 Ag10 3.092(3) 3_565
Ag10 O22 2.246(17) .
Ag10 C13 2.27(2) 4_655
Ag10 O25 2.462(12) 2_665
Ag10 C14 2.47(2) .
Ag10 O17 2.521(14) 2_665
Ag10 Ag11 3.027(3) 4_655
Ag10 Ag9 3.092(3) 4_655
Ag11 O4 2.275(16) 3_565
Ag11 C13 2.34(2) .
Ag11 O9 2.420(15) .
Ag11 O3 2.569(14) 3_565
Ag11 Ag10 3.027(3) 3_565
V1 O10 1.610(17) .
V1 O9 1.640(17) .
V1 O8 1.818(15) .
V1 O1 1.831(17) .
V2 O2 1.648(17) .
V2 O3 1.666(12) .
V2 O1 1.772(15) 4_655
V2 O11 1.83(2) 2_665
V3 O7 1.611(15) .
V3 O6 1.637(15) .
V3 O5 1.786(19) .
V3 O21 1.829(18) .
V4 O13 1.59(2) .
V4 O17 1.626(16) .
V4 O18 1.716(17) .
V4 O19 1.76(2) .
V5 O4 1.668(15) .
V5 O12 1.697(15) .
V5 O8 1.780(15) 4_655
V5 O5 1.790(19) 4_655
V6 O15 1.57(2) .
V6 O22 1.678(16) 2_665
V6 O11 1.75(2) .
V6 O14 1.78(3) .
V7 O16 1.65(3) .
V7 O24 1.70(3) .
V7 O18 1.81(2) .
V7 O14 1.82(2) .
V8 O23 1.67(2) .
V8 O20 1.67(2) .
V8 O21 1.779(19) 4_655
V8 O19 1.83(3) 4_655
V9 O28 1.646(10) 2_665
V9 O27 1.664(12) .
V9 O25 1.701(11) .
V9 O26 1.772(5) .
O1 V2 1.772(15) 3_565
O3 Ag11 2.569(14) 4_655
O4 Ag11 2.275(16) 4_655
O5 V5 1.789(19) 3_565
O6 Ag9 2.416(18) 3_565
O8 V5 1.781(15) 3_565
O11 V2 1.83(2) 2_665
O17 Ag10 2.522(14) 2_665
O17 Ag9 2.593(18) 3_565
O19 V8 1.83(3) 3_565
O21 V8 1.779(19) 3_565
O22 V6 1.678(16) 2_665
O25 Ag3 2.183(12) 2_665
O25 Ag10 2.462(12) 2_665
O26 V9 1.772(5) 2_665
O28 V9 1.646(10) 2_665
O28 Ag7 2.516(12) 4_655
C1 C2 1.19(3) .
C2 C3 1.46(4) .
C3 C4 1.516(18) .
C3 C5 1.531(19) .
C3 C6 1.553(19) .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C5 H5A 0.9600 .
C5 H5B 0.9600 .
C5 H5C 0.9600 .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C7 C8 1.27(3) .
C8 C9 1.47(3) .
C9 C10 1.511(19) .
C9 C11 1.520(19) .
C9 C12 1.544(18) .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 C14 1.26(3) 3_565
C13 Ag10 2.27(2) 3_565
C14 C13 1.26(3) 4_655
C14 C15 1.50(3) .
C15 C17 1.506(18) .
C15 C18 1.521(18) .
C15 C16 1.541(18) .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 C20 1.30(6) .
C19 Ag1 2.13(3) 2_665
C19 Ag5 2.278(4) 2_665
C20 C21 1.55(8) .
C20 Ag5 2.62(2) 2_665
C21 C22' 1.530(19) .
C21 C22' 1.530(19) 2_665
C21 C22 1.541(19) .
C21 C22 1.541(19) 2_665
C21 C23 1.545(19) 2_665
C21 C23 1.545(19) .
C22 C23 1.42(7) 2_665
C22 C22' 1.560(19) .
C23 C22 1.42(7) 2_665
C23 C22' 1.566(19) .
N1 C35 1.451(19) .
N1 C31 1.457(18) .
N1 C33 1.460(19) .
N1 C30 1.484(19) .
N2 C48 1.44(2) .
N2 C46 1.446(19) .
N2 C44 1.45(2) .
N2 C43 1.453(19) .
N3 C50 1.434(19) 14_454
N3 C50 1.435(19) .
N3 C52 1.45(2) 14_454
N3 C52 1.46(2) .
C24 C25 1.3900 .
C24 C29 1.3900 .
C24 C30 1.541(19) .
C25 C26 1.3900 .
C25 H25 0.9300 .
C26 C27 1.3900 .
C26 H26 0.9300 .
C27 C28 1.3900 .
C27 H27 0.9300 .
C28 C29 1.3900 .
C28 H28 0.9300 .
C29 H29 0.9300 .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 C32 1.533(19) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 H32A 0.9600 .
C32 H32B 0.9600 .
C32 H32C 0.9600 .
C33 C34 1.482(19) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
C35 C36 1.54(2) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
C37 C38 1.3900 .
C37 C42 1.3900 .
C37 C43 1.605(19) .
C38 C39 1.3900 .
C38 H38 0.9300 .
C39 C40 1.3900 .
C39 H39 0.9300 .
C40 C41 1.3900 .
C40 H40 0.9300 .
C41 C42 1.3900 .
C41 H41 0.9300 .
C42 H42 0.9300 .
C43 H43A 0.9700 .
C43 H43B 0.9700 .
C44 C45 1.55(2) .
C44 H44A 0.9700 .
C44 H44B 0.9700 .
C45 H45A 0.9600 .
C45 H45B 0.9600 .
C45 H45C 0.9600 .
C46 C47 1.55(2) .
C46 H46A 0.9700 .
C46 H46B 0.9700 .
C47 H47A 0.9600 .
C47 H47B 0.9600 .
C47 H47C 0.9600 .
C48 C49 1.62(12) .
C48 H48A 0.9700 .
C48 H48B 0.9700 .
C49 H49A 0.9600 .
C49 H49B 0.9600 .
C49 H49C 0.9600 .
C51 C50 1.52(2) .
C51 H51A 0.9600 .
C51 H51B 0.9600 .
C51 H51C 0.9600 .
C50 H50A 0.9700 .
C50 H50B 0.9700 .
C52 C53 1.52(2) .
C52 H52A 0.9700 .
C52 H52B 0.9700 .
C53 H53A 0.9600 .
C53 H53B 0.9600 .
C53 H53C 0.9600 .
