#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:58:54 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178927 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/56/4115643.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_4115643
loop_
_publ_author_name
'Quan-Ming Wang'
'Thomas C. W. Mak'
_publ_section_title
;
 Argentophilicity and Solvent-Induced Structural Diversity in Double Salts
 of Silver Acetylide with Silver Perfluoroalkyl Carboxylates
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7594
_journal_page_last               7600
_journal_paper_doi               10.1021/ja0043441
_journal_volume                  123
_journal_year                    2001
_chemical_formula_sum            'C35 H11 Ag11 F45 N3 O19'
_chemical_formula_weight         2819.04
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_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                 94.935(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.0830(12)
_cell_length_b                   19.9707(15)
_cell_length_c                   21.9940(16)
_cell_measurement_temperature    293(2)
_cell_volume                     7038.0(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0521
_diffrn_reflns_av_sigmaI/netI    0.1067
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            48704
_diffrn_reflns_theta_full        28.05
_diffrn_reflns_theta_max         28.05
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    3.169
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.720
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.660
_exptl_crystal_description       block
_exptl_crystal_F_000             5264
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.41
_exptl_crystal_size_min          0.26
_refine_diff_density_max         1.067
_refine_diff_density_min         -0.994
_refine_diff_density_rms         0.133
_refine_ls_extinction_coef       0.0290(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.816
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     999
_refine_ls_number_reflns         16969
_refine_ls_number_restraints     238
_refine_ls_restrained_S_all      0.838
_refine_ls_R_factor_all          0.0939
_refine_ls_R_factor_gt           0.0478
_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)+(0.0709P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1241
_refine_ls_wR_factor_ref         0.1338
_reflns_number_gt                7665
_reflns_number_total             16969
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0043441_5.cif
_cod_data_source_block           compound5
_cod_database_code               4115643
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
Ag1 Ag 0.58453(3) 0.48354(3) 0.51828(3) 0.05997(19) Uani 1 1 d .
Ag2 Ag 0.57233(4) 0.62967(3) 0.45209(3) 0.0662(2) Uani 1 1 d .
Ag3 Ag 0.65613(4) 0.59903(3) 0.58736(3) 0.0788(2) Uani 1 1 d .
Ag4 Ag 0.49109(4) 0.52147(3) 0.63458(3) 0.0672(2) Uani 1 1 d .
Ag5 Ag 0.35426(4) 0.62564(3) 0.59054(3) 0.0752(2) Uani 1 1 d .
Ag6 Ag 0.40502(4) 0.68657(3) 0.48090(3) 0.0712(2) Uani 1 1 d .
Ag7 Ag 0.56942(4) 0.72488(3) 0.55000(3) 0.0635(2) Uani 1 1 d .
Ag8 Ag 0.51704(4) 0.66081(3) 0.65624(3) 0.0683(2) Uani 1 1 d .
Ag9 Ag 0.85323(5) 0.59103(6) 0.64755(6) 0.1413(4) Uani 1 1 d .
Ag10 Ag 0.43329(6) 0.87019(4) 0.50054(4) 0.0954(3) Uani 1 1 d .
Ag11 Ag 0.38694(7) 0.74228(5) 0.76511(5) 0.1261(4) Uani 1 1 d .
C1 C 0.5299(5) 0.5819(4) 0.5476(3) 0.064(2) Uani 1 1 d .
C2 C 0.4814(5) 0.6259(4) 0.5541(4) 0.063(2) Uani 1 1 d .
O11 O 0.4743(4) 0.7693(3) 0.6761(3) 0.0858(18) Uani 1 1 d .
O12 O 0.5115(4) 0.8205(3) 0.5927(3) 0.0781(16) Uani 1 1 d .
C11 C 0.4841(5) 0.8185(4) 0.6437(4) 0.067(2) Uani 1 1 d D
C12 C 0.4608(5) 0.8860(3) 0.6690(3) 0.093(3) Uani 1 1 d D
F11 F 0.4453(6) 0.9319(3) 0.6269(3) 0.166(4) Uani 1 1 d D
F12 F 0.3933(5) 0.8823(3) 0.6989(4) 0.155(3) Uani 1 1 d D
C13 C 0.5296(6) 0.9162(4) 0.7125(5) 0.182(9) Uani 1 1 d D
F13 F 0.5378(9) 0.8749(5) 0.7593(5) 0.284(9) Uani 1 1 d D
F14 F 0.5989(6) 0.9201(7) 0.6855(7) 0.307(10) Uani 1 1 d D
F15 F 0.5093(6) 0.9752(3) 0.7335(4) 0.196(4) Uani 1 1 d D
O21 O 0.2727(4) 0.7194(3) 0.5884(3) 0.0897(19) Uani 1 1 d .
O22 O 0.3348(4) 0.7758(3) 0.5192(3) 0.0800(17) Uani 1 1 d .
C21 C 0.2837(5) 0.7686(4) 0.5568(4) 0.074(2) Uani 1 1 d D
C22 C 0.2289(6) 0.8290(4) 0.5656(4) 0.105(3) Uani 1 1 d D
F21 F 0.2119(8) 0.8351(5) 0.6225(4) 0.236(6) Uani 1 1 d D
F22 F 0.2591(6) 0.8864(4) 0.5481(7) 0.254(8) Uani 1 1 d D
C23 C 0.1440(7) 0.8278(4) 0.5295(5) 0.246(11) Uani 1 1 d DU
F23 F 0.1604(10) 0.8219(9) 0.4728(4) 0.373(13) Uani 1 1 d DU
F24 F 0.1072(6) 0.7749(5) 0.5510(9) 0.338(11) Uani 1 1 d DU
F25 F 0.1044(5) 0.8841(4) 0.5384(5) 0.218(5) Uani 1 1 d DU
O31 O 0.7085(3) 0.4327(3) 0.5322(3) 0.0761(15) Uani 1 1 d .
O32 O 0.7653(3) 0.5151(3) 0.5871(3) 0.0802(17) Uani 1 1 d .
C31 C 0.7676(5) 0.4590(5) 0.5639(4) 0.076(2) Uani 1 1 d D
C32 C 0.8328(6) 0.4052(4) 0.5829(5) 0.33(2) Uani 1 1 d D
F31 F 0.8240(6) 0.3390(4) 0.5767(6) 0.214(5) Uani 1 1 d D
F32 F 0.8822(5) 0.4270(5) 0.6308(3) 0.170(4) Uani 1 1 d D
C33 C 0.8988(8) 0.4061(4) 0.5369(5) 0.288(13) Uani 1 1 d DU
F33 F 0.9559(5) 0.3600(6) 0.5544(5) 0.260(7) Uani 1 1 d DU
F34 F 0.8609(5) 0.3901(6) 0.4832(4) 0.234(6) Uani 1 1 d DU
F35 F 0.9213(5) 0.4705(5) 0.5379(6) 0.216(5) Uani 1 1 d DU
O41 O 0.5802(4) 0.7222(3) 0.3945(3) 0.0852(18) Uani 1 1 d .
O42 O 0.5156(4) 0.7876(3) 0.4578(3) 0.0752(16) Uani 1 1 d .
C41 C 0.5468(6) 0.7757(4) 0.4094(4) 0.075(2) Uani 1 1 d D
C42 C 0.5429(6) 0.8315(4) 0.3621(3) 0.107(4) Uani 1 1 d D
F41 F 0.4833(5) 0.8758(5) 0.3682(4) 0.189(4) Uani 1 1 d D
F42 F 0.5321(6) 0.8088(4) 0.3053(3) 0.168(4) Uani 1 1 d D
C43 C 0.6203(7) 0.8753(4) 0.3681(4) 0.176(9) Uani 1 1 d D
F43 F 0.6818(5) 0.8343(5) 0.3604(6) 0.251(7) Uani 1 1 d D
F44 F 0.6150(6) 0.9209(4) 0.3246(4) 0.201(5) Uani 1 1 d D
F45 F 0.6240(10) 0.9017(5) 0.4226(4) 0.269(8) Uani 1 1 d D
O51 O 0.4075(4) 0.6288(3) 0.7220(3) 0.091(2) Uani 1 1 d .
O52 O 0.4356(5) 0.5203(3) 0.7239(3) 0.093(2) Uani 1 1 d .
C51 C 0.4085(6) 0.5724(6) 0.7449(4) 0.081(3) Uani 1 1 d D
C52 C 0.3596(8) 0.5607(4) 0.8000(5) 0.151(6) Uani 1 1 d D
F51 F 0.3027(7) 0.5126(7) 0.7956(4) 0.225(6) Uani 1 1 d D
F52 F 0.3321(8) 0.6176(4) 0.8210(5) 0.232(6) Uani 1 1 d D
C53 C 0.4141(8) 0.5374(5) 0.8564(5) 0.225(13) Uani 1 1 d D
F53 F 0.4767(7) 0.5800(8) 0.8611(5) 0.272(8) Uani 1 1 d D
F54 F 0.4372(9) 0.4757(6) 0.8446(4) 0.254(7) Uani 1 1 d D
F55 F 0.3677(8) 0.5371(5) 0.9031(3) 0.285(8) Uani 1 1 d D
O61 O 0.3600(3) 0.4644(3) 0.5851(3) 0.0725(15) Uani 1 1 d .
O62 O 0.2701(3) 0.5397(3) 0.6143(3) 0.0760(16) Uani 1 1 d .
C61 C 0.2902(5) 0.4814(4) 0.6006(4) 0.067(2) Uani 1 1 d D
C62 C 0.2237(4) 0.4267(3) 0.5955(4) 0.105(4) Uani 1 1 d D
F61 F 0.1810(6) 0.4249(4) 0.5404(3) 0.163(3) Uani 1 1 d D
F62 F 0.2601(4) 0.3679(3) 0.6085(4) 0.129(2) Uani 1 1 d D
C63 C 0.1565(4) 0.4332(3) 0.6402(4) 0.143(6) Uani 1 1 d D
F63 F 0.1973(6) 0.4434(5) 0.6946(3) 0.180(4) Uani 1 1 d D
F64 F 0.1116(4) 0.3774(3) 0.6375(4) 0.139(3) Uani 1 1 d D
F65 F 0.1072(4) 0.4840(3) 0.6226(4) 0.159(3) Uani 1 1 d D
O71 O 0.7676(4) 0.6673(3) 0.5724(3) 0.097(2) Uani 1 1 d .
O72 O 0.7017(4) 0.7607(3) 0.5449(4) 0.107(2) Uani 1 1 d .
C71 C 0.7665(6) 0.7266(6) 0.5555(5) 0.097(3) Uani 1 1 d D
C72 C 0.8524(6) 0.7591(4) 0.5633(6) 0.230(10) Uani 1 1 d DU
F71 F 0.8477(7) 0.8220(5) 0.5805(6) 0.257(6) Uani 1 1 d DU
F72 F 0.9118(4) 0.7157(5) 0.5566(8) 0.453(14) Uani 1 1 d DU
C73 C 0.8656(7) 0.7793(5) 0.4977(6) 0.356(19) Uiso 1 1 d D
F73 F 0.8163(8) 0.8264(6) 0.4716(6) 0.306(7) Uiso 1 1 d D
F74 F 0.9407(7) 0.8002(6) 0.4855(5) 0.235(5) Uiso 1 1 d D
F75 F 0.8511(9) 0.7351(7) 0.4536(6) 0.293(7) Uiso 1 1 d D
O81 O 0.3757(4) 0.6773(3) 0.3786(3) 0.0844(17) Uani 1 1 d .
O82 O 0.4542(4) 0.5856(3) 0.3776(2) 0.0758(15) Uani 1 1 d .
C81 C 0.4018(6) 0.6258(5) 0.3530(3) 0.075(2) Uani 1 1 d D
C82 C 0.3927(11) 0.6321(5) 0.2835(3) 0.274(12) Uani 1 1 d DU
F81 F 0.3903(9) 0.6868(5) 0.2483(4) 0.231(6) Uani 1 1 d DU
F82 F 0.4350(8) 0.5850(7) 0.2570(5) 0.257(7) Uani 1 1 d DU
C83 C 0.3059(11) 0.6061(6) 0.2615(4) 0.329(13) Uani 1 1 d DU
F83 F 0.2601(6) 0.6548(8) 0.2824(5) 0.298(8) Uani 1 1 d DU
F84 F 0.3101(11) 0.5495(6) 0.2934(4) 0.328(11) Uani 1 1 d DU
F85 F 0.3042(8) 0.6048(6) 0.2007(3) 0.268(7) Uani 1 1 d DU
O91 O 0.6146(5) 0.6520(5) 0.7352(3) 0.118(3) Uani 1 1 d .
O92 O 0.7158(4) 0.6083(4) 0.6886(3) 0.099(2) Uani 1 1 d .
C91 C 0.6886(8) 0.6286(7) 0.7343(4) 0.108(4) Uani 1 1 d D
C92 C 0.7390(6) 0.6610(9) 0.7884(6) 0.307(12) Uani 1 1 d DU
F91 F 0.7157(7) 0.7018(6) 0.8318(4) 0.222(5) Uani 1 1 d DU
F92 F 0.8182(6) 0.6766(7) 0.7815(5) 0.225(5) Uani 1 1 d DU
C93 C 0.7561(6) 0.6014(9) 0.8311(7) 0.346(13) Uani 1 1 d DU
F93 F 0.7926(7) 0.5612(5) 0.7937(4) 0.204(4) Uani 1 1 d DU
F94 F 0.6786(6) 0.5842(7) 0.8400(5) 0.284(8) Uani 1 1 d DU
F95 F 0.8006(8) 0.6292(8) 0.8785(4) 0.382(12) Uani 1 1 d DU
N1 N 0.9838(6) 0.6100(5) 0.6643(4) 0.101(3) Uani 1 1 d .
C3 C 1.0507(7) 0.6240(5) 0.6688(4) 0.083(3) Uani 1 1 d .
C4 C 1.1384(6) 0.6398(6) 0.6744(5) 0.117(4) Uani 1 1 d .
N2 N 0.3906(6) 0.9701(4) 0.4762(4) 0.104(3) Uani 1 1 d .
C5 C 0.3521(8) 1.0130(5) 0.4597(6) 0.115(4) Uani 1 1 d .
C6 C 0.3019(11) 1.0726(7) 0.4403(8) 0.180(7) Uani 1 1 d .
N3 N 0.2620(7) 0.7795(5) 0.7597(5) 0.113(3) Uani 1 1 d .
C7 C 0.1993(10) 0.8064(6) 0.7580(6) 0.109(4) Uani 1 1 d .
C8 C 0.1154(8) 0.8390(7) 0.7541(6) 0.128(4) Uani 1 1 d .
O1W O 0.5147(6) 0.7327(5) 0.8213(4) 0.155(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'
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O31 Ag1 C1 135.8(3) . .
O31 Ag1 C1 115.4(2) . 3_666
C1 Ag1 C1 108.8(2) . 3_666
O31 Ag1 Ag1 164.41(17) . 3_666
C1 Ag1 Ag1 59.8(2) . 3_666
C1 Ag1 Ag1 49.03(17) 3_666 3_666
O31 Ag1 Ag3 88.89(16) . .
C1 Ag1 Ag3 47.0(2) . .
C1 Ag1 Ag3 155.59(18) 3_666 .
Ag1 Ag1 Ag3 106.68(3) 3_666 .
O31 Ag1 Ag4 118.55(15) . .
C1 Ag1 Ag4 48.8(2) . .
C1 Ag1 Ag4 102.04(17) 3_666 .
Ag1 Ag1 Ag4 70.41(3) 3_666 .
Ag3 Ag1 Ag4 65.62(2) . .
O31 Ag1 Ag2 119.11(16) . .
C1 Ag1 Ag2 48.8(2) . .
C1 Ag1 Ag2 100.90(18) 3_666 .
Ag1 Ag1 Ag2 69.37(3) 3_666 .
Ag3 Ag1 Ag2 62.26(2) . .
Ag4 Ag1 Ag2 97.59(2) . .
O41 Ag2 O61 114.2(2) . 3_666
O41 Ag2 C1 146.4(2) . .
O61 Ag2 C1 99.1(2) 3_666 .
O41 Ag2 O82 89.8(2) . .
O61 Ag2 O82 80.94(19) 3_666 .
C1 Ag2 O82 99.7(2) . .
O41 Ag2 Ag7 83.33(15) . .
O61 Ag2 Ag7 145.68(15) 3_666 .
C1 Ag2 Ag7 65.95(19) . .
O82 Ag2 Ag7 130.44(13) . .
O41 Ag2 Ag6 84.48(15) . .
O61 Ag2 Ag6 144.65(14) 3_666 .
C1 Ag2 Ag6 69.54(18) . .
O82 Ag2 Ag6 68.88(13) . .
Ag7 Ag2 Ag6 61.62(2) . .
O41 Ag2 Ag3 129.60(17) . .
O61 Ag2 Ag3 89.99(14) 3_666 .
C1 Ag2 Ag3 42.31(18) . .
O82 Ag2 Ag3 139.12(13) . .
Ag7 Ag2 Ag3 57.72(2) . .
Ag6 Ag2 Ag3 100.74(2) . .
O41 Ag2 Ag1 169.28(15) . .
O61 Ag2 Ag1 55.12(13) 3_666 .
C1 Ag2 Ag1 44.04(19) . .
O82 Ag2 Ag1 89.45(13) . .
Ag7 Ag2 Ag1 105.17(2) . .
Ag6 Ag2 Ag1 105.20(2) . .
Ag3 Ag2 Ag1 54.016(19) . .
C1 Ag3 O71 138.7(3) . .
C1 Ag3 O92 133.2(3) . .
O71 Ag3 O92 80.2(2) . .
C1 Ag3 O32 122.9(3) . .
O71 Ag3 O32 80.5(2) . .
O92 Ag3 O32 79.7(2) . .
C1 Ag3 Ag1 50.0(2) . .
O71 Ag3 Ag1 131.83(19) . .
O92 Ag3 Ag1 131.25(19) . .
O32 Ag3 Ag1 73.07(14) . .
C1 Ag3 Ag7 67.6(2) . .
O71 Ag3 Ag7 79.09(17) . .
O92 Ag3 Ag7 109.89(18) . .
O32 Ag3 Ag7 155.51(15) . .
Ag1 Ag3 Ag7 111.63(3) . .
C1 Ag3 Ag8 64.2(2) . .
O71 Ag3 Ag8 116.29(18) . .
O92 Ag3 Ag8 75.90(17) . .
O32 Ag3 Ag8 146.89(15) . .
Ag1 Ag3 Ag8 107.51(3) . .
Ag7 Ag3 Ag8 56.53(2) . .
C1 Ag3 Ag2 49.7(2) . .
O71 Ag3 Ag2 91.42(18) . .
O92 Ag3 Ag2 164.50(19) . .
O32 Ag3 Ag2 111.98(15) . .
Ag1 Ag3 Ag2 63.72(2) . .
Ag7 Ag3 Ag2 55.34(2) . .
Ag8 Ag3 Ag2 96.60(2) . .
C1 Ag3 Ag4 46.0(2) . .
O71 Ag3 Ag4 167.69(19) . .
O92 Ag3 Ag4 90.71(17) . .
O32 Ag3 Ag4 106.10(15) . .
Ag1 Ag3 Ag4 60.48(2) . .
Ag7 Ag3 Ag4 96.49(2) . .
Ag8 Ag3 Ag4 52.82(2) . .
Ag2 Ag3 Ag4 95.48(2) . .
C1 Ag3 Ag9 168.2(2) . .
O71 Ag3 Ag9 50.08(17) . .
O92 Ag3 Ag9 48.09(17) . .
O32 Ag3 Ag9 45.92(14) . .
Ag1 Ag3 Ag9 118.97(3) . .
Ag7 Ag3 Ag9 124.12(3) . .
Ag8 Ag3 Ag9 122.17(3) . .
Ag2 Ag3 Ag9 133.23(4) . .
Ag4 Ag3 Ag9 127.80(3) . .
O52 Ag4 O82 106.0(2) . 3_666
O52 Ag4 C1 149.7(3) . .
O82 Ag4 C1 104.1(2) 3_666 .
O52 Ag4 O61 89.6(2) . .
O82 Ag4 O61 81.29(19) 3_666 .
C1 Ag4 O61 98.4(2) . .
O52 Ag4 Ag8 85.79(17) . .
O82 Ag4 Ag8 149.55(16) 3_666 .
C1 Ag4 Ag8 66.14(19) . .
O61 Ag4 Ag8 127.62(12) . .
O52 Ag4 Ag5 87.45(17) . .
O82 Ag4 Ag5 146.82(14) 3_666 .
C1 Ag4 Ag5 68.93(19) . .
O61 Ag4 Ag5 68.36(12) . .
Ag8 Ag4 Ag5 59.33(2) . .
O52 Ag4 Ag1 164.54(16) . .
O82 Ag4 Ag1 58.60(14) 3_666 .
C1 Ag4 Ag1 45.57(19) . .
O61 Ag4 Ag1 88.89(12) . .
Ag8 Ag4 Ag1 107.21(2) . .
Ag5 Ag4 Ag1 106.23(2) . .
O52 Ag4 Ag3 132.3(2) . .
O82 Ag4 Ag3 94.11(15) 3_666 .
C1 Ag4 Ag3 40.73(19) . .
O61 Ag4 Ag3 136.71(12) . .
Ag8 Ag4 Ag3 59.09(2) . .
Ag5 Ag4 Ag3 98.83(2) . .
Ag1 Ag4 Ag3 53.897(19) . .
C2 Ag5 O62 131.1(2) . .
C2 Ag5 O21 121.8(3) . .
O62 Ag5 O21 105.7(2) . .
C2 Ag5 Ag6 51.1(2) . .
O62 Ag5 Ag6 136.70(15) . .
O21 Ag5 Ag6 80.82(17) . .
C2 Ag5 Ag8 52.0(2) . .
O62 Ag5 Ag8 125.82(15) . .
O21 Ag5 Ag8 107.29(18) . .
Ag6 Ag5 Ag8 90.34(3) . .
C2 Ag5 Ag4 58.4(2) . .
O62 Ag5 Ag4 80.99(14) . .
O21 Ag5 Ag4 160.20(18) . .
Ag6 Ag5 Ag4 107.35(3) . .
Ag8 Ag5 Ag4 55.74(2) . .
O81 Ag6 C2 135.2(2) . .
O81 Ag6 O22 111.0(2) . .
C2 Ag6 O22 113.7(3) . .
O81 Ag6 Ag5 138.32(17) . .
C2 Ag6 Ag5 50.2(2) . .
O22 Ag6 Ag5 80.67(15) . .
O81 Ag6 Ag7 128.01(16) . .
C2 Ag6 Ag7 52.3(2) . .
O22 Ag6 Ag7 93.17(16) . .
Ag5 Ag6 Ag7 89.12(3) . .
O81 Ag6 Ag2 82.79(15) . .
C2 Ag6 Ag2 61.12(19) . .
O22 Ag6 Ag2 146.64(16) . .
Ag5 Ag6 Ag2 109.66(3) . .
Ag7 Ag6 Ag2 56.57(2) . .
O72 Ag7 O12 99.8(2) . .
O72 Ag7 C2 144.3(3) . .
O12 Ag7 C2 113.1(2) . .
O72 Ag7 O42 93.6(2) . .
O12 Ag7 O42 78.11(19) . .
C2 Ag7 O42 106.1(2) . .
O72 Ag7 Ag8 121.9(2) . .
O12 Ag7 Ag8 83.25(15) . .
C2 Ag7 Ag8 52.60(18) . .
O42 Ag7 Ag8 142.24(14) . .
O72 Ag7 Ag2 95.5(2) . .
O12 Ag7 Ag2 150.10(14) . .
C2 Ag7 Ag2 62.53(18) . .
O42 Ag7 Ag2 75.41(13) . .
Ag8 Ag7 Ag2 109.97(3) . .
O72 Ag7 Ag3 81.92(17) . .
O12 Ag7 Ag3 140.53(14) . .
C2 Ag7 Ag3 64.01(18) . .
O42 Ag7 Ag3 141.36(13) . .
Ag8 Ag7 Ag3 63.68(2) . .
Ag2 Ag7 Ag3 66.94(2) . .
O72 Ag7 Ag6 147.2(2) . .
O12 Ag7 Ag6 92.66(15) . .
C2 Ag7 Ag6 47.93(18) . .
O42 Ag7 Ag6 59.25(15) . .
Ag8 Ag7 Ag6 89.49(3) . .
Ag2 Ag7 Ag6 61.81(2) . .
Ag3 Ag7 Ag6 107.15(3) . .
O91 Ag8 O11 97.3(3) . .
O91 Ag8 C2 143.6(3) . .
O11 Ag8 C2 113.6(3) . .
O91 Ag8 O51 90.7(3) . .
O11 Ag8 O51 83.9(2) . .
C2 Ag8 O51 110.7(3) . .
O91 Ag8 Ag4 97.8(2) . .
O11 Ag8 Ag4 154.18(17) . .
C2 Ag8 Ag4 62.3(2) . .
O51 Ag8 Ag4 75.08(14) . .
O91 Ag8 Ag7 115.6(2) . .
O11 Ag8 Ag7 81.31(16) . .
C2 Ag8 Ag7 54.6(2) . .
O51 Ag8 Ag7 151.07(18) . .
Ag4 Ag8 Ag7 110.52(3) . .
O91 Ag8 Ag5 152.6(2) . .
O11 Ag8 Ag5 92.82(17) . .
C2 Ag8 Ag5 48.55(19) . .
O51 Ag8 Ag5 65.02(18) . .
Ag4 Ag8 Ag5 64.93(2) . .
Ag7 Ag8 Ag5 91.01(3) . .
O91 Ag8 Ag3 81.93(19) . .
O11 Ag8 Ag3 135.04(16) . .
C2 Ag8 Ag3 62.72(19) . .
O51 Ag8 Ag3 140.94(15) . .
Ag4 Ag8 Ag3 68.09(2) . .
Ag7 Ag8 Ag3 59.78(2) . .
Ag5 Ag8 Ag3 108.37(3) . .
N1 Ag9 O32 137.1(3) . .
N1 Ag9 O92 143.7(3) . .
O32 Ag9 O92 77.8(2) . .
N1 Ag9 O71 118.2(3) . .
O32 Ag9 O71 76.1(2) . .
O92 Ag9 O71 72.9(2) . .
N1 Ag9 Ag3 161.5(3) . .
O32 Ag9 Ag3 46.70(14) . .
O92 Ag9 Ag3 44.89(15) . .
O71 Ag9 Ag3 43.49(14) . .
N2 Ag10 O42 136.3(3) . .
N2 Ag10 O12 134.0(3) . .
O42 Ag10 O12 77.58(18) . .
N2 Ag10 O22 122.7(3) . .
O42 Ag10 O22 85.7(2) . .
O12 Ag10 O22 81.4(2) . .
N3 Ag11 O1W 147.9(4) . .
N3 Ag11 O51 116.8(3) . .
O1W Ag11 O51 89.2(3) . .
N3 Ag11 O11 117.3(3) . .
O1W Ag11 O11 84.6(3) . .
O51 Ag11 O11 78.52(19) . .
C2 C1 Ag3 115.8(7) . .
C2 C1 Ag1 161.1(7) . .
Ag3 C1 Ag1 83.0(3) . .
C2 C1 Ag4 93.3(6) . .
Ag3 C1 Ag4 93.3(3) . .
Ag1 C1 Ag4 85.7(3) . .
C2 C1 Ag2 92.9(6) . .
Ag3 C1 Ag2 88.0(3) . .
Ag1 C1 Ag2 87.1(3) . .
Ag4 C1 Ag2 172.5(4) . .
C2 C1 Ag1 89.9(6) . 3_666
Ag3 C1 Ag1 154.0(4) . 3_666
Ag1 C1 Ag1 71.2(2) . 3_666
Ag4 C1 Ag1 88.3(3) . 3_666
Ag2 C1 Ag1 87.3(2) . 3_666
C1 C2 Ag5 131.5(7) . .
C1 C2 Ag6 128.6(6) . .
Ag5 C2 Ag6 78.7(2) . .
C1 C2 Ag8 102.9(6) . .
Ag5 C2 Ag8 79.5(2) . .
Ag6 C2 Ag8 125.6(3) . .
C1 C2 Ag7 101.8(6) . .
Ag5 C2 Ag7 124.2(3) . .
Ag6 C2 Ag7 79.8(3) . .
Ag8 C2 Ag7 72.8(2) . .
C11 O11 Ag8 125.5(5) . .
C11 O11 Ag11 135.6(5) . .
Ag8 O11 Ag11 97.9(2) . .
C11 O12 Ag7 121.2(5) . .
C11 O12 Ag10 123.6(5) . .
Ag7 O12 Ag10 100.8(2) . .
O11 C11 O12 128.4(6) . .
O11 C11 C12 116.7(7) . .
O12 C11 C12 115.0(8) . .
F11 C12 F12 106.1(8) . .
F11 C12 C11 113.5(7) . .
F12 C12 C11 111.9(7) . .
F11 C12 C13 104.5(7) . .
F12 C12 C13 107.1(7) . .
C11 C12 C13 113.1(6) . .
F14 C13 F15 110.7(9) . .
F14 C13 F13 111.1(10) . .
F15 C13 F13 107.4(8) . .
F14 C13 C12 109.8(8) . .
F15 C13 C12 112.7(7) . .
F13 C13 C12 105.1(7) . .
C21 O21 Ag5 123.9(5) . .
C21 O22 Ag6 122.3(5) . .
C21 O22 Ag10 131.8(6) . .
Ag6 O22 Ag10 100.6(2) . .
O22 C21 O21 128.0(7) . .
O22 C21 C22 115.1(8) . .
O21 C21 C22 116.8(8) . .
F21 C22 F22 108.2(11) . .
F21 C22 C21 111.6(7) . .
F22 C22 C21 115.0(8) . .
F21 C22 C23 104.3(9) . .
F22 C22 C23 101.4(9) . .
C21 C22 C23 115.2(7) . .
F23 C23 F25 111.1(9) . .
F23 C23 F24 114.0(11) . .
F25 C23 F24 113.2(9) . .
F23 C23 C22 104.7(8) . .
F25 C23 C22 109.4(8) . .
F24 C23 C22 103.7(8) . .
C31 O31 Ag1 120.9(5) . .
C31 O32 Ag9 140.1(6) . .
C31 O32 Ag3 132.5(5) . .
Ag9 O32 Ag3 87.4(2) . .
O32 C31 O31 124.6(7) . .
O32 C31 C32 124.6(9) . .
O31 C31 C32 109.1(8) . .
F31 C32 F32 116.9(10) . .
F31 C32 C33 91.0(9) . .
F32 C32 C33 96.8(8) . .
F31 C32 C31 127.0(8) . .
F32 C32 C31 109.5(7) . .
C33 C32 C31 108.0(9) . .
F34 C33 F33 110.3(8) . .
F34 C33 F35 110.5(10) . .
F33 C33 F35 118.8(10) . .
F34 C33 C32 107.2(9) . .
F33 C33 C32 107.5(9) . .
F35 C33 C32 101.7(9) . .
C41 O41 Ag2 120.6(5) . .
C41 O42 Ag10 139.3(5) . .
C41 O42 Ag7 118.0(5) . .
Ag10 O42 Ag7 101.3(2) . .
O42 C41 O41 127.0(7) . .
O42 C41 C42 116.9(7) . .
O41 C41 C42 116.1(7) . .
F41 C42 F42 106.8(9) . .
F41 C42 C43 101.6(8) . .
F42 C42 C43 108.7(8) . .
F41 C42 C41 114.1(7) . .
F42 C42 C41 112.8(7) . .
C43 C42 C41 112.2(7) . .
F45 C43 F43 113.3(10) . .
F45 C43 F44 112.6(8) . .
F43 C43 F44 109.9(8) . .
F45 C43 C42 106.6(8) . .
F43 C43 C42 104.5(7) . .
F44 C43 C42 109.5(8) . .
C51 O51 Ag8 119.5(5) . .
C51 O51 Ag11 132.4(6) . .
Ag8 O51 Ag11 96.5(2) . .
C51 O52 Ag4 120.2(5) . .
O52 C51 O51 127.6(7) . .
O52 C51 C52 113.2(8) . .
O51 C51 C52 118.4(9) . .
F52 C52 F51 113.7(11) . .
F52 C52 C51 111.1(8) . .
F51 C52 C51 117.1(9) . .
F52 C52 C53 99.5(10) . .
F51 C52 C53 100.6(10) . .
C51 C52 C53 113.1(8) . .
F53 C53 F54 113.1(11) . .
F53 C53 F55 115.0(10) . .
F54 C53 F55 109.7(9) . .
F53 C53 C52 104.4(10) . .
F54 C53 C52 106.0(9) . .
F55 C53 C52 108.0(9) . .
C61 O61 Ag2 140.0(5) . 3_666
C61 O61 Ag4 119.4(5) . .
Ag2 O61 Ag4 96.60(19) 3_666 .
C61 O62 Ag5 118.4(4) . .
O61 C61 O62 125.1(6) . .
O61 C61 C62 115.2(7) . .
O62 C61 C62 119.3(7) . .
F62 C62 F61 110.6(8) . .
F62 C62 C61 108.9(6) . .
F61 C62 C61 112.8(7) . .
F62 C62 C63 105.0(6) . .
F61 C62 C63 104.4(7) . .
C61 C62 C63 114.9(6) . .
F65 C63 F64 108.6(6) . .
F65 C63 F63 112.5(8) . .
F64 C63 F63 113.2(7) . .
F65 C63 C62 108.4(6) . .
F64 C63 C62 108.2(6) . .
F63 C63 C62 105.7(6) . .
C71 O71 Ag3 128.2(6) . .
C71 O71 Ag9 138.9(6) . .
Ag3 O71 Ag9 86.4(2) . .
C71 O72 Ag7 126.3(6) . .
O71 C71 O72 124.4(8) . .
O71 C71 C72 112.6(9) . .
O72 C71 C72 121.5(9) . .
F72 C72 F71 136.6(11) . .
F72 C72 C71 111.7(8) . .
F71 C72 C71 111.4(8) . .
F72 C72 C73 84.6(4) . .
F71 C72 C73 91.9(10) . .
C71 C72 C73 101.8(9) . .
F75 C73 F74 99.7(11) . .
F75 C73 F73 95.4(10) . .
F74 C73 F73 102.1(10) . .
F75 C73 C72 119.1(9) . .
F74 C73 C72 118.4(9) . .
F73 C73 C72 118.0(11) . .
C81 O81 Ag6 117.4(5) . .
C81 O82 Ag4 141.6(5) . 3_666
C81 O82 Ag2 119.4(5) . .
Ag4 O82 Ag2 97.0(2) 3_666 .
O82 C81 O81 124.7(7) . .
O82 C81 C82 119.1(8) . .
O81 C81 C82 111.8(7) . .
F82 C82 F81 108.4(12) . .
F82 C82 C83 96.3(11) . .
F81 C82 C83 96.5(10) . .
F82 C82 C81 112.0(8) . .
F81 C82 C81 129.9(9) . .
C83 C82 C81 107.1(9) . .
F83 C83 F84 116.5(11) . .
F83 C83 F85 113.4(9) . .
F84 C83 F85 120.5(9) . .
F83 C83 C82 99.3(10) . .
F84 C83 C82 96.8(10) . .
F85 C83 C82 105.3(10) . .
C91 O91 Ag8 127.2(6) . .
C91 O92 Ag3 132.0(7) . .
C91 O92 Ag9 138.7(7) . .
Ag3 O92 Ag9 87.0(2) . .
O92 C91 O91 122.9(9) . .
O92 C91 C92 126.1(10) . .
O91 C91 C92 105.4(10) . .
F92 C92 F91 105.6(11) . .
F92 C92 C93 97.5(12) . .
F91 C92 C93 94.8(11) . .
F92 C92 C91 117.4(9) . .
F91 C92 C91 130.9(11) . .
C93 C92 C91 101.8(11) . .
F94 C93 F93 114.2(10) . .
F94 C93 F95 116.2(10) . .
F93 C93 F95 120.0(11) . .
F94 C93 C92 99.9(12) . .
F93 C93 C92 99.0(12) . .
F95 C93 C92 102.3(12) . .
C3 N1 Ag9 173.6(10) . .
N1 C3 C4 178.0(12) . .
C5 N2 Ag10 163.3(11) . .
N2 C5 C6 177.1(15) . .
C7 N3 Ag11 172.2(11) . .
N3 C7 C8 177.4(15) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 O31 2.235(5) .
Ag1 C1 2.269(8) .
Ag1 C1 2.596(8) 3_666
Ag1 Ag1 2.8451(11) 3_666
Ag1 Ag3 2.9416(9) .
Ag1 Ag4 3.1681(8) .
Ag1 Ag2 3.2596(9) .
Ag2 O41 2.249(6) .
Ag2 O61 2.353(5) 3_666
Ag2 C1 2.457(8) .
Ag2 O82 2.557(6) .
Ag2 Ag7 2.8761(8) .
Ag2 Ag6 3.0376(9) .
Ag2 Ag3 3.2175(10) .
Ag3 C1 2.167(8) .
Ag3 O71 2.298(6) .
Ag3 O92 2.355(6) .
Ag3 O32 2.428(6) .
Ag3 Ag7 2.9564(9) .
Ag3 Ag8 3.0666(9) .
Ag3 Ag4 3.3162(10) .
Ag3 Ag9 3.3323(10) .
Ag4 O52 2.227(6) .
Ag4 O82 2.336(5) 3_666
Ag4 C1 2.390(8) .
Ag4 O61 2.556(6) .
Ag4 Ag8 2.8478(9) .
Ag4 Ag5 3.1211(9) .
Ag5 C2 2.259(8) .
Ag5 O62 2.274(6) .
Ag5 O21 2.284(6) .
Ag5 Ag6 2.8812(9) .
Ag5 Ag8 2.9638(10) .
Ag6 O81 2.267(6) .
Ag6 C2 2.287(8) .
Ag6 O22 2.308(6) .
Ag6 Ag7 3.0323(9) .
Ag7 O72 2.257(6) .
Ag7 O12 2.355(5) .
Ag7 C2 2.437(8) .
Ag7 O42 2.475(5) .
Ag7 Ag8 2.8541(9) .
Ag8 O91 2.245(7) .
Ag8 O11 2.325(6) .
Ag8 C2 2.374(8) .
Ag8 O51 2.458(6) .
Ag9 N1 2.134(9) .
Ag9 O32 2.396(6) .
Ag9 O92 2.483(7) .
Ag9 O71 2.560(7) .
Ag10 N2 2.163(9) .
Ag10 O42 2.361(5) .
Ag10 O12 2.497(6) .
Ag10 O22 2.518(6) .
Ag11 N3 2.136(12) .
Ag11 O1W 2.313(10) .
Ag11 O51 2.489(6) .
Ag11 O11 2.564(6) .
C1 C2 1.191(10) .
C1 Ag1 2.596(8) 3_666
O11 C11 1.233(10) .
O12 C11 1.241(10) .
C11 C12 1.517(5) .
C12 F11 1.312(5) .
C12 F12 1.319(5) .
C12 C13 1.524(5) .
C13 F14 1.308(5) .
C13 F15 1.317(5) .
C13 F13 1.317(5) .
O21 C21 1.226(10) .
O22 C21 1.223(10) .
C21 C22 1.515(5) .
C22 F21 1.309(5) .
C22 F22 1.315(5) .
C22 C23 1.521(5) .
C23 F23 1.302(5) .
C23 F25 1.315(5) .
C23 F24 1.318(5) .
O31 C31 1.246(11) .
O32 C31 1.232(10) .
C31 C32 1.534(5) .
C32 F31 1.336(5) .
C32 F32 1.337(5) .
C32 C33 1.529(5) .
C33 F34 1.321(5) .
C33 F33 1.333(5) .
C33 F35 1.336(5) .
O41 C41 1.252(10) .
O42 C41 1.239(10) .
C41 C42 1.522(5) .
C42 F41 1.320(5) .
C42 F42 1.324(5) .
C42 C43 1.519(5) .
C43 F45 1.305(5) .
C43 F43 1.308(5) .
C43 F44 1.317(5) .
O51 C51 1.235(11) .
O52 C51 1.232(10) .
C51 C52 1.519(5) .
C52 F52 1.318(5) .
C52 F51 1.325(5) .
C52 C53 1.529(5) .
C53 F53 1.315(5) .
C53 F54 1.319(5) .
C53 F55 1.321(5) .
O61 C61 1.249(8) .
O61 Ag2 2.353(5) 3_666
O62 C61 1.251(9) .
C61 C62 1.526(5) .
C62 F62 1.333(5) .
C62 F61 1.342(5) .
C62 C63 1.528(5) .
C63 F65 1.323(5) .
C63 F64 1.327(5) .
C63 F63 1.329(5) .
O71 C71 1.241(11) .
O72 C71 1.250(11) .
C71 C72 1.522(5) .
C72 F72 1.307(5) .
C72 F71 1.315(5) .
C72 C73 1.531(5) .
C73 F75 1.319(5) .
C73 F74 1.327(5) .
C73 F73 1.328(5) .
O81 C81 1.261(10) .
O82 C81 1.252(9) .
O82 Ag4 2.336(5) 3_666
C81 C82 1.529(5) .
C82 F82 1.325(5) .
C82 F81 1.338(5) .
C82 C83 1.528(5) .
C83 F83 1.326(5) .
C83 F84 1.328(5) .
C83 F85 1.337(5) .
O91 C91 1.280(13) .
O92 C91 1.200(11) .
C91 C92 1.526(5) .
C92 F92 1.332(5) .
C92 F91 1.334(5) .
C92 C93 1.525(5) .
C93 F94 1.323(5) .
C93 F93 1.323(5) .
C93 F95 1.334(5) .
N1 C3 1.109(12) .
C3 C4 1.440(14) .
N2 C5 1.099(11) .
C5 C6 1.481(16) .
N3 C7 1.139(14) .
C7 C8 1.495(18) .
