#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:56:50 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178925 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/54/4115444.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_4115444
loop_
_publ_author_name
'Quan-Ming Wang'
'Thomas C. W. Mak'
_publ_section_title
;
 Elliptic Column Consolidated by Acetylide Dianion, Cyanide, and
 Trifluoroacetate in a Novel Quadruple Salt of Silver(I)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1501
_journal_page_last               1502
_journal_paper_doi               10.1021/ja0028727
_journal_volume                  123
_journal_year                    2001
_chemical_formula_sum            'C37 H18 Ag24 B2 F53 N3 O39'
_chemical_formula_weight         4746.04
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 103.804(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.372(3)
_cell_length_b                   25.257(3)
_cell_length_c                   15.9775(16)
_cell_measurement_temperature    293(2)
_cell_volume                     10335(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0461
_diffrn_reflns_av_sigmaI/netI    0.0626
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            34846
_diffrn_reflns_theta_full        28.04
_diffrn_reflns_theta_max         28.04
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    4.596
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.337
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.050
_exptl_crystal_description       prism
_exptl_crystal_F_000             8752
_exptl_crystal_size_max          0.58
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.898
_refine_diff_density_min         -2.075
_refine_diff_density_rms         0.235
_refine_ls_extinction_coef       0.000012(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.953
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     712
_refine_ls_number_reflns         12465
_refine_ls_number_restraints     158
_refine_ls_restrained_S_all      0.957
_refine_ls_R_factor_all          0.1235
_refine_ls_R_factor_gt           0.0657
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1392P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1996
_refine_ls_wR_factor_ref         0.2311
_reflns_number_gt                6230
_reflns_number_total             12465
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0028727.cif
_cod_data_source_block           f5
_cod_original_cell_volume        10334.8(19)
_cod_database_code               4115444
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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 0.5000 0.19989(5) 0.7500 0.0659(4) Uani 1 2 d S
Ag2 Ag 0.50674(4) 0.31772(4) 0.66166(5) 0.0555(3) Uani 1 1 d .
Ag3 Ag 0.38569(5) 0.33295(4) 0.58901(6) 0.0744(3) Uani 1 1 d .
Ag4 Ag 0.37956(5) 0.18937(4) 0.67045(6) 0.0715(3) Uani 1 1 d .
Ag5 Ag 0.38095(5) 0.34317(4) 0.77082(7) 0.0695(3) Uani 1 1 d .
Ag6 Ag 0.40446(5) 0.24071(4) 0.84952(6) 0.0658(3) Uani 1 1 d .
Ag7 Ag 0.43683(4) 0.23604(4) 0.54568(5) 0.0600(3) Uani 1 1 d .
Ag8 Ag 0.53002(5) 0.19565(5) 0.41704(6) 0.0833(4) Uani 1 1 d .
Ag9 Ag 0.41899(6) 0.19146(6) 0.32621(7) 0.1029(5) Uani 1 1 d .
Ag10 Ag 0.49778(6) 0.44687(4) 0.53669(8) 0.0888(4) Uani 1 1 d .
Ag11 Ag 0.32759(5) 0.43585(5) 0.42649(9) 0.0894(4) Uani 1 1 d .
Ag12 Ag 0.32419(6) 0.54006(6) 0.35871(9) 0.1011(5) Uani 1 1 d .
Ag13 Ag 0.5000 0.04647(15) 0.7500 0.1201(16) Uani 0.50 2 d SP
Ag14 Ag 0.3286(3) 0.0584(3) 0.6351(5) 0.139(3) Uani 0.25 1 d P
C1 C 0.4291(4) 0.2643(4) 0.6686(6) 0.044(2) Uani 1 1 d .
C2 C 0.4243(4) 0.2762(5) 0.7363(7) 0.052(3) Uani 1 1 d .
C3 C 0.3873(7) 0.4940(7) 0.4231(9) 0.086(5) Uani 1 1 d .
N1 N 0.4297(6) 0.4947(6) 0.4537(9) 0.098(4) Uani 1 1 d .
N2 N 0.4962(6) 0.1865(5) 0.2832(7) 0.076(4) Uani 0.93 1 d P
O11 O 0.4065(4) 0.2719(4) 0.4053(5) 0.070(2) Uani 1 1 d .
O12 O 0.3723(5) 0.3471(5) 0.4388(6) 0.103(4) Uani 1 1 d .
C11 C 0.3806(6) 0.3145(7) 0.3908(8) 0.079(4) Uani 1 1 d D
C12 C 0.3584(6) 0.3245(6) 0.2990(11) 0.161(12) Uani 1 1 d D
F11 F 0.3739(6) 0.2956(5) 0.2421(6) 0.175(7) Uani 1 1 d D
F12 F 0.3070(5) 0.3234(8) 0.2741(9) 0.219(9) Uani 1 1 d D
F13 F 0.3691(8) 0.3726(5) 0.2760(8) 0.237(11) Uani 1 1 d D
O21 O 0.3692(6) 0.1257(5) 0.5592(7) 0.127(5) Uani 1 1 d .
O22 O 0.4065(4) 0.1609(4) 0.4658(5) 0.074(3) Uani 1 1 d .
C21 C 0.3804(7) 0.1275(6) 0.4915(8) 0.088(5) Uani 1 1 d D
C22 C 0.3619(5) 0.0809(5) 0.4380(7) 0.113(7) Uani 1 1 d D
F21 F 0.3729(7) 0.0805(6) 0.3618(7) 0.233(11) Uani 1 1 d D
F22 F 0.3770(7) 0.0347(5) 0.4731(8) 0.186(7) Uani 1 1 d D
F23 F 0.3108(5) 0.0753(7) 0.4187(11) 0.256(12) Uani 1 1 d D
O31 O 0.5150(5) 0.1275(4) 0.6681(6) 0.091(3) Uani 1 1 d .
O32 O 0.5215(4) 0.1733(3) 0.5550(6) 0.071(2) Uani 1 1 d .
C31 C 0.5218(5) 0.1330(5) 0.5938(8) 0.065(3) Uani 1 1 d D
C32 C 0.5281(5) 0.0823(4) 0.5517(8) 0.102(5) Uani 1 1 d D
F31 F 0.4862(5) 0.0527(6) 0.5298(12) 0.238(11) Uani 1 1 d D
F32 F 0.5441(8) 0.0873(6) 0.4804(8) 0.233(11) Uani 1 1 d D
F33 F 0.5619(6) 0.0490(5) 0.5976(9) 0.197(8) Uani 1 1 d D
O41 O 0.3380(4) 0.1317(4) 0.7396(6) 0.090(3) Uani 1 1 d .
O42 O 0.3615(4) 0.1654(4) 0.8722(6) 0.078(3) Uani 1 1 d .
C41 C 0.3374(5) 0.1334(5) 0.8138(9) 0.064(3) Uani 1 1 d D
C42 C 0.3076(4) 0.0929(4) 0.8485(7) 0.084(4) Uani 1 1 d D
F41 F 0.2568(4) 0.0985(6) 0.8202(11) 0.241(11) Uani 1 1 d D
F42 F 0.3142(6) 0.0877(6) 0.9326(7) 0.193(7) Uani 1 1 d D
F43 F 0.3155(6) 0.0441(4) 0.8259(9) 0.171(6) Uani 1 1 d D
O51 O 0.3591(4) 0.4276(3) 0.7275(6) 0.076(3) Uani 1 1 d .
O52 O 0.3559(4) 0.4175(3) 0.5904(5) 0.081(3) Uani 1 1 d .
C51 C 0.3495(6) 0.4415(4) 0.6520(8) 0.062(3) Uani 1 1 d D
C52 C 0.3278(4) 0.4955(4) 0.6345(6) 0.093(5) Uani 1 1 d D
F51 F 0.3554(5) 0.5283(4) 0.5990(10) 0.199(8) Uani 1 1 d D
F52 F 0.2818(4) 0.4987(4) 0.5811(8) 0.157(6) Uani 1 1 d D
F53 F 0.3207(7) 0.5238(5) 0.6992(6) 0.195(8) Uani 1 1 d D
O61 O 0.5128(4) 0.3570(3) 0.5325(5) 0.067(2) Uani 1 1 d .
O62 O 0.5251(5) 0.2759(3) 0.4963(5) 0.082(3) Uani 1 1 d .
C61 C 0.5221(5) 0.3230(5) 0.4822(7) 0.060(3) Uani 1 1 d D
C62 C 0.5315(4) 0.3431(4) 0.4029(6) 0.094(6) Uani 1 1 d D
F61 F 0.5421(7) 0.3081(4) 0.3487(7) 0.203(9) Uani 1 1 d D
F62 F 0.4925(5) 0.3694(7) 0.3541(7) 0.202(8) Uani 1 1 d D
F63 F 0.5690(5) 0.3782(5) 0.4082(7) 0.168(6) Uani 1 1 d D
O71 O 0.3409(4) 0.6373(4) 0.3805(6) 0.072(2) Uani 1 1 d .
O72 O 0.3556(4) 0.7183(4) 0.4371(6) 0.083(3) Uani 1 1 d .
C71 C 0.3340(5) 0.6725(6) 0.4271(8) 0.064(3) Uani 1 1 d D
C72 C 0.3011(4) 0.6635(4) 0.4861(7) 0.079(4) Uani 1 1 d D
F71 F 0.2516(4) 0.6746(7) 0.4526(8) 0.181(7) Uani 1 1 d D
F72 F 0.3074(6) 0.6905(7) 0.5587(8) 0.242(11) Uani 1 1 d D
F73 F 0.2981(6) 0.6146(4) 0.5126(11) 0.217(9) Uani 1 1 d D
O81 O 0.4959(4) 0.4120(3) 0.6791(5) 0.063(2) Uani 1 1 d .
C81 C 0.5000 0.4332(5) 0.7500 0.050(4) Uani 1 2 d SD
C82 C 0.5000 0.4909(5) 0.7500 0.070(5) Uani 1 2 d SD
F81 F 0.5390(11) 0.5099(9) 0.810(2) 0.136(12) Uani 0.50 1 d PD
F82 F 0.503(2) 0.5190(9) 0.6819(15) 0.150(14) Uani 0.50 1 d PD
F83 F 0.4607(10) 0.5132(7) 0.774(3) 0.116(9) Uani 0.50 1 d PD
B1 B 0.2477(6) 0.1965(6) 0.3239(10) 0.300 Uiso 1 1 d D
F1 F 0.2869(8) 0.2211(9) 0.3822(14) 0.300 Uiso 1 1 d D
F2 F 0.2671(9) 0.1726(9) 0.2613(13) 0.300 Uiso 1 1 d D
F3 F 0.2110(8) 0.2325(8) 0.2850(15) 0.300 Uiso 1 1 d D
F4 F 0.2244(9) 0.1600(8) 0.3655(14) 0.300 Uiso 1 1 d D
O1W O 0.6251(4) 0.1937(4) 0.4532(6) 0.084(3) Uani 1 1 d .
O2W O 0.3533(5) 0.1652(7) 0.2062(8) 0.131(5) Uani 1 1 d .
O3W O 0.2539(6) 0.3879(6) 0.4160(9) 0.145(6) Uani 1 1 d .
O4W O 0.2544(10) 0.5667(11) 0.2872(17) 0.134(11) Uani 0.50 1 d P
O5W O 0.3777(5) -0.0520(6) 0.6772(8) 0.121(5) 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'
B B 0.0013 0.0007 '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 O31 77.0(4) . 2_656
O31 Ag1 C1 125.2(4) . 2_656
O31 Ag1 C1 114.2(4) 2_656 2_656
O31 Ag1 C1 114.2(4) . .
O31 Ag1 C1 125.2(4) 2_656 .
C1 Ag1 C1 101.9(4) 2_656 .
O31 Ag1 Ag4 82.6(3) . 2_656
O31 Ag1 Ag4 89.8(3) 2_656 2_656
C1 Ag1 Ag4 46.3(2) 2_656 2_656
C1 Ag1 Ag4 143.0(2) . 2_656
O31 Ag1 Ag4 89.8(3) . .
O31 Ag1 Ag4 82.6(3) 2_656 .
C1 Ag1 Ag4 143.0(2) 2_656 .
C1 Ag1 Ag4 46.3(2) . .
Ag4 Ag1 Ag4 170.28(6) 2_656 .
O31 Ag1 Ag2 166.9(2) . 2_656
O31 Ag1 Ag2 115.5(2) 2_656 2_656
C1 Ag1 Ag2 47.7(2) 2_656 2_656
C1 Ag1 Ag2 62.8(2) . 2_656
Ag4 Ag1 Ag2 93.18(3) 2_656 2_656
Ag4 Ag1 Ag2 95.54(3) . 2_656
O31 Ag1 Ag2 115.5(2) . .
O31 Ag1 Ag2 166.9(2) 2_656 .
C1 Ag1 Ag2 62.8(2) 2_656 .
C1 Ag1 Ag2 47.7(2) . .
Ag4 Ag1 Ag2 95.54(3) 2_656 .
Ag4 Ag1 Ag2 93.18(3) . .
Ag2 Ag1 Ag2 52.39(4) 2_656 .
O61 Ag2 C2 126.3(4) . 2_656
O61 Ag2 O81 73.6(3) . .
C2 Ag2 O81 116.5(4) 2_656 .
O61 Ag2 C1 120.3(3) . .
C2 Ag2 C1 103.6(4) 2_656 .
O81 Ag2 C1 114.1(3) . .
O61 Ag2 Ag2 154.6(2) . 2_656
C2 Ag2 Ag2 65.7(3) 2_656 2_656
O81 Ag2 Ag2 81.04(18) . 2_656
C1 Ag2 Ag2 70.4(2) . 2_656
O61 Ag2 Ag5 87.5(2) . 2_656
C2 Ag2 Ag5 46.6(3) 2_656 2_656
O81 Ag2 Ag5 83.1(2) . 2_656
C1 Ag2 Ag5 149.9(3) . 2_656
Ag2 Ag2 Ag5 89.41(4) 2_656 2_656
O61 Ag2 Ag7 84.9(2) . .
C2 Ag2 Ag7 111.6(3) 2_656 .
O81 Ag2 Ag7 131.2(2) . .
C1 Ag2 Ag7 43.8(2) . .
Ag2 Ag2 Ag7 112.81(4) 2_656 .
Ag5 Ag2 Ag7 140.03(4) 2_656 .
O61 Ag2 Ag6 90.2(2) . 2_656
C2 Ag2 Ag6 45.1(3) 2_656 2_656
O81 Ag2 Ag6 137.7(2) . 2_656
C1 Ag2 Ag6 107.9(3) . 2_656
Ag2 Ag2 Ag6 108.94(4) 2_656 2_656
Ag5 Ag2 Ag6 56.77(3) 2_656 2_656
Ag7 Ag2 Ag6 84.05(4) . 2_656
O61 Ag2 Ag3 84.2(2) . .
C2 Ag2 Ag3 148.1(3) 2_656 .
O81 Ag2 Ag3 77.6(2) . .
C1 Ag2 Ag3 46.1(3) . .
Ag2 Ag2 Ag3 90.56(5) 2_656 .
Ag5 Ag2 Ag3 160.49(5) 2_656 .
Ag7 Ag2 Ag3 56.68(3) . .
Ag6 Ag2 Ag3 140.64(4) 2_656 .
O61 Ag2 Ag1 141.4(2) . .
C2 Ag2 Ag1 54.7(3) 2_656 .
O81 Ag2 Ag1 144.42(18) . .
C1 Ag2 Ag1 50.4(3) . .
Ag2 Ag2 Ag1 63.804(18) 2_656 .
Ag5 Ag2 Ag1 100.93(3) 2_656 .
Ag7 Ag2 Ag1 64.49(3) . .
Ag6 Ag2 Ag1 64.98(3) 2_656 .
Ag3 Ag2 Ag1 96.54(3) . .
O52 Ag3 C1 146.4(3) . .
O52 Ag3 O12 84.2(3) . .
C1 Ag3 O12 127.7(3) . .
O52 Ag3 Ag5 79.2(2) . .
C1 Ag3 Ag5 69.6(2) . .
O12 Ag3 Ag5 162.6(3) . .
O52 Ag3 Ag7 163.1(3) . .
C1 Ag3 Ag7 46.2(2) . .
O12 Ag3 Ag7 81.6(2) . .
Ag5 Ag3 Ag7 115.61(4) . .
O52 Ag3 Ag2 115.6(3) . .
C1 Ag3 Ag2 51.2(3) . .
O12 Ag3 Ag2 106.6(3) . .
Ag5 Ag3 Ag2 85.70(4) . .
Ag7 Ag3 Ag2 60.40(3) . .
O41 Ag4 C1 151.3(3) . .
O41 Ag4 O21 86.9(4) . .
C1 Ag4 O21 120.9(4) . .
O41 Ag4 C2 124.9(4) . .
C1 Ag4 C2 26.5(3) . .
O21 Ag4 C2 147.2(4) . .
O41 Ag4 Ag7 162.3(3) . .
C1 Ag4 Ag7 45.2(2) . .
O21 Ag4 Ag7 75.8(3) . .
C2 Ag4 Ag7 71.7(3) . .
O41 Ag4 Ag6 80.6(2) . .
C1 Ag4 Ag6 70.6(2) . .
O21 Ag4 Ag6 161.8(3) . .
C2 Ag4 Ag6 44.6(3) . .
Ag7 Ag4 Ag6 114.98(4) . .
O41 Ag4 Ag1 114.7(3) . .
C1 Ag4 Ag1 54.1(3) . .
O21 Ag4 Ag1 106.7(4) . .
C2 Ag4 Ag1 56.3(2) . .
Ag7 Ag4 Ag1 67.43(3) . .
Ag6 Ag4 Ag1 67.39(3) . .
C2 Ag5 O51 139.4(4) . .
C2 Ag5 O71 136.1(4) . 6_566
O51 Ag5 O71 84.3(3) . 6_566
C2 Ag5 Ag6 49.0(3) . .
O51 Ag5 Ag6 171.3(2) . .
O71 Ag5 Ag6 87.2(2) 6_566 .
C2 Ag5 Ag3 62.3(3) . .
O51 Ag5 Ag3 81.3(2) . .
O71 Ag5 Ag3 154.5(3) 6_566 .
Ag6 Ag5 Ag3 107.24(4) . .
C2 Ag5 Ag2 52.2(3) . 2_656
O51 Ag5 Ag2 118.1(3) . 2_656
O71 Ag5 Ag2 111.6(3) 6_566 2_656
Ag6 Ag5 Ag2 63.56(4) . 2_656
Ag3 Ag5 Ag2 93.78(4) . 2_656
C2 Ag6 O42 134.1(4) . .
C2 Ag6 O72 125.6(4) . 6_566
O42 Ag6 O72 84.8(4) . 6_566
C2 Ag6 Ag5 48.7(3) . .
O42 Ag6 Ag5 138.9(3) . .
O72 Ag6 Ag5 76.9(3) 6_566 .
C2 Ag6 Ag4 56.2(3) . .
O42 Ag6 Ag4 78.0(2) . .
O72 Ag6 Ag4 135.6(3) 6_566 .
Ag5 Ag6 Ag4 89.81(4) . .
C2 Ag6 Ag2 50.2(3) . 2_656
O42 Ag6 Ag2 161.1(3) . 2_656
O72 Ag6 Ag2 106.7(3) 6_566 2_656
Ag5 Ag6 Ag2 59.67(3) . 2_656
Ag4 Ag6 Ag2 102.08(4) . 2_656
C1 Ag7 O22 132.9(4) . .
C1 Ag7 O11 130.9(4) . .
O22 Ag7 O11 78.3(3) . .
C1 Ag7 Ag3 50.3(3) . .
O22 Ag7 Ag3 133.6(3) . .
O11 Ag7 Ag3 80.6(2) . .
C1 Ag7 Ag4 49.6(3) . .
O22 Ag7 Ag4 83.3(2) . .
O11 Ag7 Ag4 131.7(2) . .
Ag3 Ag7 Ag4 80.81(4) . .
C1 Ag7 Ag2 53.1(3) . .
O22 Ag7 Ag2 163.5(3) . .
O11 Ag7 Ag2 109.4(2) . .
Ag3 Ag7 Ag2 62.92(4) . .
Ag4 Ag7 Ag2 100.76(3) . .
N2 Ag8 O32 144.2(4) . .
N2 Ag8 O62 123.9(4) . .
O32 Ag8 O62 71.2(3) . .
N2 Ag8 O1W 113.5(4) . .
O32 Ag8 O1W 95.6(3) . .
O62 Ag8 O1W 94.3(4) . .
N2 Ag8 Ag9 51.0(4) . .
O32 Ag8 Ag9 98.5(3) . .
O62 Ag8 Ag9 96.7(3) . .
O1W Ag8 Ag9 164.4(2) . .
N2 Ag9 O2W 105.9(5) . .
N2 Ag9 O11 115.8(4) . .
O2W Ag9 O11 119.3(5) . .
N2 Ag9 O22 125.1(4) . .
O2W Ag9 O22 114.8(4) . .
O11 Ag9 O22 74.3(3) . .
N2 Ag9 Ag8 45.8(3) . .
O2W Ag9 Ag8 149.9(4) . .
O11 Ag9 Ag8 87.5(2) . .
O22 Ag9 Ag8 84.1(2) . .
N1 Ag10 O61 128.0(4) . .
N1 Ag10 N1 102.4(5) . 5_666
O61 Ag10 N1 117.9(4) . 5_666
N1 Ag10 O81 122.5(4) . .
O61 Ag10 O81 73.5(3) . .
N1 Ag10 O81 110.8(4) 5_666 .
N1 Ag10 Ag10 52.5(4) . 5_666
O61 Ag10 Ag10 149.6(2) . 5_666
N1 Ag10 Ag10 49.9(4) 5_666 5_666
O81 Ag10 Ag10 135.15(19) . 5_666
C3 Ag11 O3W 168.3(7) . .
C3 Ag11 O12 106.0(6) . .
O3W Ag11 O12 84.7(6) . .
C3 Ag11 O52 96.4(5) . .
O3W Ag11 O52 90.8(5) . .
O12 Ag11 O52 75.2(3) . .
C3 Ag11 Ag12 47.0(4) . .
O3W Ag11 Ag12 121.3(5) . .
O12 Ag11 Ag12 145.7(3) . .
O52 Ag11 Ag12 121.8(2) . .
O4W Ag12 C3 165.5(11) . .
O4W Ag12 O71 81.9(9) . .
C3 Ag12 O71 112.6(6) . .
O4W Ag12 Ag11 117.6(8) . .
C3 Ag12 Ag11 49.3(5) . .
O71 Ag12 Ag11 150.2(2) . .
O31 Ag13 O31 70.8(4) 2_656 .
O41 Ag14 O21 80.3(4) . .
O41 Ag14 O3W 75.8(5) . 7_556
O21 Ag14 O3W 85.0(6) . 7_556
C2 C1 Ag7 175.6(10) . .
C2 C1 Ag3 99.8(9) . .
Ag7 C1 Ag3 83.5(3) . .
C2 C1 Ag4 90.7(8) . .
Ag7 C1 Ag4 85.2(3) . .
Ag3 C1 Ag4 114.8(5) . .
C2 C1 Ag2 100.2(8) . .
Ag7 C1 Ag2 83.1(3) . .
Ag3 C1 Ag2 82.6(3) . .
Ag4 C1 Ag2 157.7(5) . .
C2 C1 Ag1 85.5(8) . .
Ag7 C1 Ag1 92.1(4) . .
Ag3 C1 Ag1 164.3(5) . .
Ag4 C1 Ag1 79.7(3) . .
Ag2 C1 Ag1 81.9(3) . .
C1 C2 Ag5 128.1(10) . .
C1 C2 Ag6 139.9(10) . .
Ag5 C2 Ag6 82.3(4) . .
C1 C2 Ag2 121.2(9) . 2_656
Ag5 C2 Ag2 81.2(4) . 2_656
Ag6 C2 Ag2 84.8(4) . 2_656
C1 C2 Ag4 62.7(7) . .
Ag5 C2 Ag4 122.9(5) . .
Ag6 C2 Ag4 79.2(4) . .
Ag2 C2 Ag4 148.3(5) 2_656 .
N1 C3 Ag12 144.1(17) . .
N1 C3 Ag11 131.6(16) . .
Ag12 C3 Ag11 83.7(6) . .
C3 N1 Ag10 144.2(16) . .
C3 N1 Ag10 138.2(16) . 5_666
Ag10 N1 Ag10 77.6(5) . 5_666
N2 N2 Ag8 145.3(18) 2_655 .
N2 N2 Ag9 130.6(17) 2_655 .
Ag8 N2 Ag9 83.3(4) . .
C11 O11 Ag7 122.8(8) . .
C11 O11 Ag9 137.9(8) . .
Ag7 O11 Ag9 96.6(3) . .
C11 O12 Ag3 123.1(9) . .
C11 O12 Ag11 136.6(9) . .
Ag3 O12 Ag11 99.6(4) . .
O12 C11 O11 130.6(12) . .
O12 C11 C12 115.9(14) . .
O11 C11 C12 113.5(13) . .
F11 C12 F13 101.4(12) . .
F11 C12 F12 104.4(13) . .
F13 C12 F12 102.0(10) . .
F11 C12 C11 118.9(12) . .
F13 C12 C11 112.2(14) . .
F12 C12 C11 115.8(16) . .
C21 O21 Ag4 130.3(10) . .
C21 O21 Ag14 134.8(10) . .
Ag4 O21 Ag14 94.9(4) . .
C21 O22 Ag7 121.9(8) . .
C21 O22 Ag9 137.1(8) . .
Ag7 O22 Ag9 98.0(3) . .
O21 C21 O22 128.2(12) . .
O21 C21 C22 112.1(14) . .
O22 C21 C22 119.6(12) . .
F22 C22 F23 101.2(10) . .
F22 C22 F21 106.0(10) . .
F23 C22 F21 102.8(10) . .
F22 C22 C21 116.0(12) . .
F23 C22 C21 113.8(13) . .
F21 C22 C21 115.3(11) . .
C31 O31 Ag1 121.8(8) . .
C31 O31 Ag13 131.4(8) . .
Ag1 O31 Ag13 106.1(4) . .
C31 O32 Ag8 135.0(8) . .
O32 C31 O31 127.1(11) . .
O32 C31 C32 119.5(12) . .
O31 C31 C32 113.2(11) . .
F32 C32 F31 104.3(10) . .
F32 C32 F33 103.3(10) . .
F31 C32 F33 101.4(10) . .
F32 C32 C31 114.0(11) . .
F31 C32 C31 116.0(11) . .
F33 C32 C31 115.9(10) . .
C41 O41 Ag4 126.0(8) . .
C41 O41 Ag14 132.6(9) . .
Ag4 O41 Ag14 97.7(4) . .
C41 O42 Ag6 126.0(8) . .
O41 C41 O42 128.6(11) . .
O41 C41 C42 119.1(12) . .
O42 C41 C42 112.3(11) . .
F41 C42 F43 102.7(9) . .
F41 C42 F42 103.7(9) . .
F43 C42 F42 101.2(9) . .
F41 C42 C41 112.8(10) . .
F43 C42 C41 114.4(10) . .
F42 C42 C41 120.0(10) . .
C51 O51 Ag5 123.2(8) . .
C51 O52 Ag3 126.7(7) . .
C51 O52 Ag11 132.5(7) . .
Ag3 O52 Ag11 100.1(3) . .
O52 C51 O51 128.7(10) . .
O52 C51 C52 115.7(10) . .
O51 C51 C52 115.6(10) . .
F53 C52 F52 101.3(8) . .
F53 C52 F51 101.2(9) . .
F52 C52 F51 101.6(9) . .
F53 C52 C51 118.5(10) . .
F52 C52 C51 116.0(10) . .
F51 C52 C51 115.7(10) . .
C61 O61 Ag10 139.6(7) . .
C61 O61 Ag2 110.1(7) . .
Ag10 O61 Ag2 110.2(3) . .
C61 O62 Ag8 137.7(7) . .
O62 C61 O61 125.1(10) . .
O62 C61 C62 119.5(11) . .
O61 C61 C62 115.4(11) . .
F62 C62 F63 99.7(9) . .
F62 C62 F61 102.1(9) . .
F63 C62 F61 102.8(9) . .
F62 C62 C61 115.1(10) . .
F63 C62 C61 117.7(10) . .
F61 C62 C61 116.8(10) . .
C71 O71 Ag5 118.5(8) . 6_565
C71 O71 Ag12 139.8(8) . .
Ag5 O71 Ag12 101.7(3) 6_565 .
C71 O72 Ag6 127.8(8) . 6_565
O71 C71 O72 127.9(11) . .
O71 C71 C72 119.5(13) . .
O72 C71 C72 112.4(12) . .
F73 C72 F71 101.6(9) . .
F73 C72 F72 101.9(10) . .
F71 C72 F72 98.8(9) . .
F73 C72 C71 116.6(11) . .
F71 C72 C71 113.2(10) . .
F72 C72 C71 121.5(11) . .
C81 O81 Ag2 123.0(7) . .
C81 O81 Ag10 132.8(7) . .
Ag2 O81 Ag10 102.5(3) . .
O81 C81 O81 128.6(12) 2_656 .
O81 C81 C82 115.7(6) 2_656 .
O81 C81 C82 115.7(6) . .
F82 C82 F82 115(2) . 2_656
F82 C82 F83 47.5(12) . 2_656
F82 C82 F83 102.4(10) 2_656 2_656
F82 C82 F83 102.4(10) . .
F82 C82 F83 47.5(12) 2_656 .
F83 C82 F83 129(2) 2_656 .
F82 C82 F81 102.8(11) . .
F82 C82 F81 52.0(12) 2_656 .
F83 C82 F81 62.0(12) 2_656 .
F83 C82 F81 99.2(10) . .
F82 C82 F81 52.0(12) . 2_656
F82 C82 F81 102.8(11) 2_656 2_656
F83 C82 F81 99.2(10) 2_656 2_656
F83 C82 F81 62.0(12) . 2_656
F81 C82 F81 137(2) . 2_656
F82 C82 C81 122.7(12) . .
F82 C82 C81 122.7(12) 2_656 .
F83 C82 C81 115.3(10) 2_656 .
F83 C82 C81 115.3(10) . .
F81 C82 C81 111.3(11) . .
F81 C82 C81 111.3(11) 2_656 .
F82 F81 C82 63.7(7) 2_656 .
F82 F81 F83 109.1(18) 2_656 2_656
C82 F81 F83 58.9(7) . 2_656
F83 F82 F81 130.0(11) 2_656 2_656
F83 F82 C82 66.4(7) 2_656 .
F81 F82 C82 64.2(7) 2_656 .
F82 F83 C82 66.1(7) 2_656 .
F82 F83 F81 116.3(17) 2_656 2_656
C82 F83 F81 59.1(6) . 2_656
F3 B1 F4 108.6(9) . .
F3 B1 F1 110.3(10) . .
F4 B1 F1 109.3(9) . .
F3 B1 F2 108.0(9) . .
F4 B1 F2 110.5(10) . .
F1 B1 F2 110.1(9) . .
Ag11 O3W Ag14 113.3(7) . 7_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 O31 2.335(10) .
Ag1 O31 2.335(10) 2_656
Ag1 C1 2.583(11) 2_656
Ag1 C1 2.583(11) .
Ag1 Ag4 3.1382(12) 2_656
Ag1 Ag4 3.1382(12) .
Ag1 Ag2 3.3164(14) 2_656
Ag1 Ag2 3.3164(14) .
Ag2 O61 2.329(8) .
Ag2 C2 2.377(10) 2_656
Ag2 O81 2.423(8) .
Ag2 C1 2.476(10) .
Ag2 Ag2 2.9280(17) 2_656
Ag2 Ag5 2.9706(15) 2_656
Ag2 Ag7 3.0755(13) .
Ag2 Ag6 3.0819(14) 2_656
Ag2 Ag3 3.1492(15) .
Ag3 O52 2.277(8) .
Ag3 C1 2.289(11) .
Ag3 O12 2.369(9) .
Ag3 Ag5 2.9485(14) .
Ag3 Ag7 2.9554(14) .
Ag4 O41 2.263(9) .
Ag4 C1 2.304(10) .
Ag4 O21 2.365(11) .
Ag4 C2 2.592(11) .
Ag4 Ag7 3.0135(13) .
Ag4 Ag6 3.0662(14) .
Ag5 C2 2.184(12) .
Ag5 O51 2.272(8) .
Ag5 O71 2.305(9) 6_566
Ag5 Ag6 2.8790(14) .
Ag5 Ag2 2.9706(15) 2_656
Ag6 C2 2.191(12) .
Ag6 O42 2.287(9) .
Ag6 O72 2.355(9) 6_566
Ag6 Ag2 3.0819(14) 2_656
Ag7 C1 2.145(9) .
Ag7 O22 2.321(8) .
Ag7 O11 2.374(8) .
Ag8 N2 2.124(11) .
Ag8 O32 2.338(8) .
Ag8 O62 2.409(9) .
Ag8 O1W 2.437(10) .
Ag8 Ag9 2.943(2) .
Ag9 N2 2.302(13) .
Ag9 O2W 2.352(12) .
Ag9 O11 2.455(9) .
Ag9 O22 2.455(9) .
Ag10 N1 2.304(16) .
Ag10 O61 2.307(8) .
Ag10 N1 2.390(15) 5_666
Ag10 O81 2.451(7) .
Ag10 Ag10 2.942(2) 5_666
Ag11 C3 2.164(19) .
Ag11 O3W 2.262(13) .
Ag11 O12 2.518(10) .
Ag11 O52 2.587(8) .
Ag11 Ag12 2.8393(18) .
Ag12 O4W 2.03(2) .
Ag12 C3 2.089(17) .
Ag12 O71 2.504(9) .
Ag13 O31 2.511(10) 2_656
Ag13 O31 2.511(10) .
Ag14 O41 2.467(12) .
Ag14 O21 2.474(13) .
Ag14 O3W 2.53(2) 7_556
C1 C2 1.158(14) .
C2 Ag2 2.377(10) 2_656
C3 N1 1.108(19) .
N1 Ag10 2.390(15) 5_666
N2 N2 1.13(2) 2_655
O11 C11 1.266(17) .
O12 C11 1.180(17) .
C11 C12 1.465(14) .
C12 F11 1.31(2) .
C12 F13 1.318(5) .
C12 F12 1.320(4) .
O21 C21 1.189(17) .
O22 C21 1.218(17) .
C21 C22 1.468(13) .
C22 F22 1.315(5) .
C22 F23 1.317(5) .
C22 F21 1.318(5) .
O31 C31 1.251(15) .
O32 C31 1.190(14) .
C31 C32 1.473(12) .
C32 F32 1.312(5) .
C32 F31 1.312(5) .
C32 F33 1.315(5) .
O41 C41 1.189(15) .
O42 C41 1.283(16) .
C41 C42 1.475(12) .
C42 F41 1.314(5) .
C42 F43 1.314(5) .
C42 F42 1.320(5) .
O51 C51 1.224(14) .
O52 C51 1.202(14) .
C51 C52 1.478(11) .
C52 F53 1.307(5) .
C52 F52 1.309(5) .
C52 F51 1.318(5) .
O61 C61 1.240(14) .
O62 C61 1.210(14) .
C61 C62 1.442(12) .
C62 F62 1.313(5) .
C62 F63 1.313(5) .
C62 F61 1.313(5) .
O71 C71 1.203(16) .
O71 Ag5 2.305(9) 6_565
O72 C71 1.284(17) .
O72 Ag6 2.355(9) 6_565
C71 C72 1.442(12) .
C72 F73 1.314(5) .
C72 F71 1.316(5) .
C72 F72 1.320(5) .
O81 C81 1.234(9) .
C81 O81 1.234(9) 2_656
C81 C82 1.457(13) .
C82 F82 1.314(5) .
C82 F82 1.314(5) 2_656
C82 F83 1.317(5) 2_656
C82 F83 1.317(5) .
C82 F81 1.320(5) .
C82 F81 1.320(5) 2_656
F81 F82 1.16(3) 2_656
F81 F83 1.36(2) 2_656
F82 F83 1.06(3) 2_656
F82 F81 1.16(2) 2_656
F83 F82 1.06(3) 2_656
F83 F81 1.36(2) 2_656
B1 F3 1.365(5) .
B1 F4 1.366(5) .
B1 F1 1.366(5) .
B1 F2 1.367(5) .
O3W Ag14 2.53(2) 7_556
