#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:42:50 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178578 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/88/4068889.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_4068889
loop_
_publ_author_name
'Zang, Shuang-Quan'
'Han, Jie'
'Mak, Thomas C. W.'
_publ_section_title
;
 Silver(I)−Organic Networks Assembled with the Flexible
 Prop-2-ynyloxybenzene Ligand:In SituRecrystallization and Unusual
 Silver−Aromatic Interaction
;
_journal_issue                   9
_journal_name_full               Organometallics
_journal_page_first              2677
_journal_paper_doi               10.1021/om801143q
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety
'C27 H13 Ag7 F30 O16,  0.25(H4 O2), 0.5(H2 O)'
_chemical_formula_sum            'C27 H15 Ag7 F30 O17'
_chemical_formula_weight         1936.48
_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                95.1200(10)
_cell_angle_beta                 98.9940(10)
_cell_angle_gamma                90.8920(10)
_cell_formula_units_Z            2
_cell_length_a                   12.3782(5)
_cell_length_b                   14.3569(6)
_cell_length_c                   14.7152(6)
_cell_measurement_reflns_used    954
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.88
_cell_measurement_theta_min      2.35
_cell_volume                     2571.46(18)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0195
_diffrn_reflns_av_sigmaI/netI    0.0088
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            94948
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.00
_exptl_absorpt_coefficient_mu    2.780
_exptl_absorpt_correction_T_max  0.756
_exptl_absorpt_correction_T_min  0.722
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker, 2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.501
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1824
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.477
_refine_diff_density_min         -1.436
_refine_diff_density_rms         0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     731
_refine_ls_number_reflns         9030
_refine_ls_number_restraints     39
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0561
_refine_ls_R_factor_gt           0.0501
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0980P)²+8.8117P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1500
_refine_ls_wR_factor_ref         0.1567
_reflns_number_gt                8018
_reflns_number_total             9030
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om801143q_si_001.cif
_cod_data_source_block           4
_cod_database_code               4068889
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
Ag1 Ag 0.63122(4) 0.15244(4) 0.26609(4) 0.05619(16) Uani 1 1 d .
Ag2 Ag 0.52153(4) 0.01503(4) 0.12617(4) 0.05326(15) Uani 1 1 d .
Ag3 Ag 0.43507(5) 0.20388(4) 0.14916(4) 0.05708(16) Uani 1 1 d .
Ag4 Ag 0.43858(8) 0.23142(5) 0.35393(5) 0.0938(3) Uani 1 1 d .
Ag5 Ag 0.54748(4) 0.06266(4) 0.40895(4) 0.05651(16) Uani 1 1 d .
Ag6 Ag 0.50134(5) 0.41428(4) 0.04332(5) 0.06763(19) Uani 1 1 d .
Ag7 Ag 0.90415(5) 0.20365(5) 0.26798(5) 0.0810(2) Uani 1 1 d .
C1 C 0.4648(5) 0.0933(4) 0.2507(4) 0.0438(13) Uani 1 1 d .
C2 C 0.3945(6) 0.0538(5) 0.2813(5) 0.0579(16) Uani 1 1 d .
C3 C 0.2901(3) 0.0102(3) 0.3019(3) 0.088(3) Uani 1 1 d .
H3A H 0.2487 -0.0193 0.2450 0.105 Uiso 1 1 calc R
H3B H 0.3085 -0.0380 0.3434 0.105 Uiso 1 1 calc R
C4 C 0.1768(3) 0.1429(3) 0.2911(3) 0.084(3) Uani 1 1 d R
C5 C 0.1268(3) 0.2096(3) 0.3436(3) 0.103(4) Uani 1 1 d R
H5 H 0.1282 0.2047 0.4063 0.124 Uiso 1 1 calc R
C6 C 0.0747(3) 0.2837(3) 0.3022(3) 0.135(7) Uani 1 1 d R
H6 H 0.0413 0.3284 0.3373 0.162 Uiso 1 1 d R
C7 C 0.0727(3) 0.2911(3) 0.2084(3) 0.123(5) Uani 1 1 d R
H7 H 0.0378 0.3407 0.1807 0.147 Uiso 1 1 d R
C8 C 0.1226(3) 0.2244(3) 0.1560(3) 0.097(3) Uani 1 1 d R
H8 H 0.1213 0.2293 0.0932 0.117 Uiso 1 1 d R
C9 C 0.1747(3) 0.1503(3) 0.1973(3) 0.079(2) Uani 1 1 d R
H9 H 0.2081 0.1056 0.1622 0.095 Uiso 1 1 d R
O1 O 0.2247(6) 0.0759(7) 0.3423(6) 0.110(3) Uani 1 1 d .
O2 O 0.7727(4) 0.0938(3) 0.1844(4) 0.0566(11) Uani 1 1 d .
O3 O 0.6961(4) -0.0399(3) 0.1101(4) 0.0552(11) Uani 1 1 d .
C10 C 0.7737(5) 0.0162(5) 0.1395(5) 0.0516(15) Uani 1 1 d .
C11 C 0.8858(6) -0.0140(6) 0.1150(7) 0.074(2) Uani 1 1 d .
C12 C 0.9496(7) -0.0675(6) 0.1884(10) 0.134(6) Uani 1 1 d D
F1 F 0.9618(7) -0.0172(8) 0.2680(6) 0.161(4) Uani 1 1 d D
F2 F 0.8933(7) -0.1446(6) 0.1914(9) 0.215(7) Uani 1 1 d D
F3 F 1.0457(5) -0.0874(6) 0.1662(9) 0.206(6) Uani 1 1 d D
F4 F 0.9501(4) 0.0611(4) 0.1071(4) 0.0901(16) Uani 1 1 d .
F5 F 0.8739(5) -0.0630(6) 0.0310(5) 0.126(3) Uani 1 1 d .
O4 O 0.7857(4) 0.1627(4) 0.3796(3) 0.0691(14) Uani 1 1 d .
O5 O 0.7092(5) 0.1084(6) 0.4917(4) 0.090(2) Uani 1 1 d .
C13 C 0.7840(6) 0.1414(6) 0.4580(5) 0.0640(18) Uani 1 1 d .
C14 C 0.8925(8) 0.1600(10) 0.5281(6) 0.097(3) Uani 1 1 d .
C15 C 0.8827(7) 0.2244(9) 0.6091(8) 0.125(5) Uani 1 1 d D
F6 F 0.8354(9) 0.3003(6) 0.5795(7) 0.175(4) Uani 1 1 d D
F7 F 0.8228(9) 0.1891(8) 0.6646(6) 0.186(5) Uani 1 1 d D
F8 F 0.9806(7) 0.2483(8) 0.6557(6) 0.179(4) Uani 1 1 d D
F9 F 0.9202(9) 0.0779(8) 0.5672(7) 0.179(5) Uani 1 1 d .
F10 F 0.9717(6) 0.1864(13) 0.4881(6) 0.237(8) Uani 1 1 d .
O6 O 0.5496(4) 0.0996(3) -0.0092(3) 0.0560(11) Uani 1 1 d .
O7 O 0.5789(4) 0.2443(3) 0.0592(4) 0.0586(11) Uani 1 1 d .
C16 C 0.5891(6) 0.1801(5) -0.0009(4) 0.0508(14) Uani 1 1 d .
C17 C 0.6558(10) 0.2080(8) -0.0726(7) 0.092(3) Uani 1 1 d D
C18 C 0.7698(10) 0.2210(7) -0.0450(6) 0.128(5) Uani 1 1 d D
F11 F 0.8061(8) 0.2679(10) 0.0351(7) 0.214(7) Uani 1 1 d D
F12 F 0.7888(11) 0.1307(9) -0.0342(9) 0.289(12) Uani 1 1 d D
F13 F 0.8310(7) 0.2470(6) -0.1043(6) 0.149(4) Uani 1 1 d D
F14 F 0.6341(9) 0.1618(7) -0.1504(4) 0.154(4) Uani 1 1 d .
F15 F 0.6371(15) 0.3053(8) -0.0888(10) 0.299(11) Uani 1 1 d .
O8 O 0.4424(5) 0.0882(4) 0.5293(4) 0.0699(15) Uani 1 1 d .
O9 O 0.3804(8) 0.2247(5) 0.4944(4) 0.101(3) Uani 1 1 d .
C19 C 0.3916(9) 0.1593(6) 0.5409(6) 0.076(2) Uani 1 1 d .
C20 C 0.3306(14) 0.1682(9) 0.6280(9) 0.123(5) Uani 1 1 d D
C21 C 0.3811(15) 0.2203(12) 0.7038(11) 0.221(16) Uani 1 1 d D
F16 F 0.395(2) 0.2999(12) 0.6816(10) 0.315(15) Uani 1 1 d D
F17 F 0.3344(17) 0.2195(10) 0.7731(9) 0.297(11) Uani 1 1 d D
F18 F 0.4669(17) 0.175(2) 0.7112(10) 0.45(2) Uani 1 1 d D
F19 F 0.2273(8) 0.2066(10) 0.6060(7) 0.186(5) Uani 1 1 d .
F20 F 0.3010(16) 0.0840(6) 0.6494(10) 0.257(9) Uani 1 1 d .
O10 O 0.4195(6) 0.3637(4) 0.1791(4) 0.0742(15) Uani 1 1 d .
O11 O 0.3676(7) 0.3690(4) 0.3163(5) 0.092(2) Uani 1 1 d .
C22 C 0.3872(9) 0.4016(5) 0.2455(7) 0.078(2) Uani 1 1 d .
C23 C 0.3651(18) 0.5078(9) 0.2423(10) 0.152(8) Uani 1 1 d D
C24 C 0.2642(14) 0.5391(6) 0.2308(8) 0.204(13) Uani 1 1 d D
F21 F 0.2524(14) 0.4996(7) 0.1440(7) 0.241(9) Uani 1 1 d D
F22 F 0.2043(8) 0.5004(6) 0.2846(9) 0.187(5) Uani 1 1 d D
F23 F 0.2671(12) 0.6328(6) 0.2406(8) 0.224(7) Uani 1 1 d D
F24 F 0.4385(8) 0.5519(5) 0.1977(8) 0.154(4) Uani 1 1 d .
F25 F 0.4075(13) 0.5581(6) 0.3431(8) 0.203(6) Uani 1 1 d .
O12 O 0.3436(5) 0.3936(4) -0.0498(4) 0.0734(15) Uani 1 1 d .
O13 O 0.3385(5) 0.5298(5) -0.1125(5) 0.0837(18) Uani 1 1 d .
C25 C 0.3016(7) 0.4522(7) -0.0980(6) 0.071(2) Uani 1 1 d .
C26 C 0.1835(11) 0.4271(10) -0.1498(10) 0.120(5) Uani 1 1 d .
C27 C 0.0945(11) 0.4363(9) -0.1002(11) 0.208(13) Uani 1 1 d D
F26 F 0.1140(11) 0.3709(14) -0.0438(13) 0.319(15) Uani 1 1 d D
F27 F 0.1037(8) 0.5200(12) -0.0577(12) 0.257(9) Uani 1 1 d D
F28 F 0.0015(6) 0.4215(7) -0.1564(10) 0.202(6) Uani 1 1 d D
F29 F 0.1793(8) 0.3472(13) -0.1914(14) 0.325(14) Uani 1 1 d .
F30 F 0.1479(12) 0.4990(16) -0.2102(12) 0.336(15) Uani 1 1 d .
O1W O 0.7301(5) 0.2965(4) 0.2379(4) 0.0698(13) Uani 1 1 d .
H1WA H 0.7267 0.3428 0.2776 0.084 Uiso 1 1 d R
H1WB H 0.7150 0.3121 0.1831 0.084 Uiso 1 1 d R
O2W O 0.3135(4) 0.2089(4) 0.0120(4) 0.0644(13) Uani 1 1 d .
H2WC H 0.3337 0.1717 -0.0300 0.077 Uiso 1 1 d R
H2WA H 0.3123 0.2623 -0.0036 0.077 Uiso 1 1 d R
O3W O 0.5994(13) 0.3202(14) 0.4381(15) 0.299(14) Uani 1 1 d .
H3WA H 0.5796 0.3599 0.4782 0.449 Uiso 1 1 d R
H3WC H 0.6291 0.3487 0.3997 0.449 Uiso 1 1 d R
O4W O 0.333(2) 0.4115(16) 0.4942(15) 0.192(13) Uani 0.50 1 d P
H4WB H 0.3438 0.3559 0.5083 0.230 Uiso 0.50 1 d PR
H4WA H 0.3386 0.4126 0.4374 0.230 Uiso 0.50 1 d PR
O5W O 0.092(7) 0.531(5) 0.555(4) 0.30(5) Uani 0.25 1 d P
H5WA H 0.0953 0.5902 0.5524 0.357 Uiso 0.25 1 d PR
H5WC H 0.0823 0.5197 0.6088 0.357 Uiso 0.25 1 d PR
O6W O 0.665(3) 0.452(2) 0.333(2) 0.103(9) Uani 0.25 1 d P
H6WA H 0.6246 0.4945 0.3116 0.124 Uiso 0.25 1 d PR
H6WB H 0.7230 0.4736 0.3674 0.124 Uiso 0.25 1 d PR
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'
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
C1 Ag1 O4 136.3(2) . .
C1 Ag1 O2 125.7(2) . .
O4 Ag1 O2 76.72(18) . .
C1 Ag1 O1W 140.3(2) . .
O4 Ag1 O1W 76.09(19) . .
O2 Ag1 O1W 76.47(18) . .
C1 Ag1 Ag5 56.50(15) . .
O4 Ag1 Ag5 79.79(13) . .
O2 Ag1 Ag5 125.31(13) . .
O1W Ag1 Ag5 142.21(14) . .
C1 Ag1 Ag2 51.14(16) . .
O4 Ag1 Ag2 137.91(16) . .
O2 Ag1 Ag2 75.43(11) . .
O1W Ag1 Ag2 125.88(14) . .
Ag5 Ag1 Ag2 91.32(2) . .
C1 Ag1 Ag3 50.80(15) . .
O4 Ag1 Ag3 160.84(16) . .
O2 Ag1 Ag3 114.65(13) . .
O1W Ag1 Ag3 91.20(13) . .
Ag5 Ag1 Ag3 103.23(2) . .
Ag2 Ag1 Ag3 61.247(18) . .
C1 Ag1 Ag4 52.21(16) . .
O4 Ag1 Ag4 108.03(14) . .
O2 Ag1 Ag4 174.86(13) . .
O1W Ag1 Ag4 102.50(14) . .
Ag5 Ag1 Ag4 58.418(19) . .
Ag2 Ag1 Ag4 101.53(3) . .
Ag3 Ag1 Ag4 60.24(2) . .
C1 Ag2 O6 137.2(2) . 2_655
C1 Ag2 O3 129.13(19) . .
O6 Ag2 O3 87.49(17) 2_655 .
C1 Ag2 O6 120.09(18) . .
O6 Ag2 O6 81.45(16) 2_655 .
O3 Ag2 O6 82.17(18) . .
C1 Ag2 Ag1 48.47(15) . .
O6 Ag2 Ag1 174.14(13) 2_655 .
O3 Ag2 Ag1 86.75(11) . .
O6 Ag2 Ag1 96.67(10) . .
C1 Ag2 Ag3 49.63(15) . .
O6 Ag2 Ag3 124.40(12) 2_655 .
O3 Ag2 Ag3 132.91(11) . .
O6 Ag2 Ag3 71.31(11) . .
Ag1 Ag2 Ag3 59.625(19) . .
C1 Ag3 O10 128.9(2) . .
C1 Ag3 O2W 132.2(2) . .
O10 Ag3 O2W 89.2(2) . .
C1 Ag3 O7 120.04(19) . .
O10 Ag3 O7 85.69(18) . .
O2W Ag3 O7 85.92(19) . .
C1 Ag3 Ag1 48.25(15) . .
O10 Ag3 Ag1 106.78(17) . .
O2W Ag3 Ag1 156.31(14) . .
O7 Ag3 Ag1 78.19(12) . .
C1 Ag3 Ag2 49.73(16) . .
O10 Ag3 Ag2 163.64(17) . .
O2W Ag3 Ag2 101.92(13) . .
O7 Ag3 Ag2 83.23(11) . .
Ag1 Ag3 Ag2 59.129(18) . .
C1 Ag3 Ag4 53.18(16) . .
O10 Ag3 Ag4 75.98(14) . .
O2W Ag3 Ag4 139.86(15) . .
O7 Ag3 Ag4 128.72(12) . .
Ag1 Ag3 Ag4 62.80(2) . .
Ag2 Ag3 Ag4 101.85(2) . .
O11 Ag4 O9 99.2(2) . .
O11 Ag4 C1 128.2(2) . .
O9 Ag4 C1 123.7(2) . .
O11 Ag4 O3W 87.6(5) . .
O9 Ag4 O3W 87.0(7) . .
C1 Ag4 O3W 119.0(4) . .
O11 Ag4 C2 132.8(3) . .
O9 Ag4 C2 100.1(2) . .
C1 Ag4 C2 26.4(2) . .
O3W Ag4 C2 135.9(4) . .
O11 Ag4 Ag5 175.1(2) . .
O9 Ag4 Ag5 81.22(15) . .
C1 Ag4 Ag5 54.20(13) . .
O3W Ag4 Ag5 87.5(5) . .
C2 Ag4 Ag5 51.59(16) . .
O11 Ag4 Ag3 81.36(16) . .
O9 Ag4 Ag3 159.0(2) . .
C1 Ag4 Ag3 48.01(13) . .
O3W Ag4 Ag3 113.9(6) . .
C2 Ag4 Ag3 66.14(16) . .
Ag5 Ag4 Ag3 100.02(2) . .
O11 Ag4 Ag1 120.46(18) . .
O9 Ag4 Ag1 135.09(18) . .
C1 Ag4 Ag1 44.95(14) . .
O3W Ag4 Ag1 75.3(4) . .
C2 Ag4 Ag1 69.12(15) . .
Ag5 Ag4 Ag1 57.46(2) . .
Ag3 Ag4 Ag1 56.963(19) . .
O5 Ag5 O8 97.1(2) . .
O5 Ag5 O8 91.3(2) . 2_656
O8 Ag5 O8 79.19(19) . 2_656
O5 Ag5 C2 158.4(2) . .
O8 Ag5 C2 96.8(2) . .
O8 Ag5 C2 107.5(2) 2_656 .
O5 Ag5 C1 130.5(2) . .
O8 Ag5 C1 118.6(2) . .
O8 Ag5 C1 126.1(2) 2_656 .
C2 Ag5 C1 28.2(2) . .
O5 Ag5 Ag1 83.24(16) . .
O8 Ag5 Ag1 142.99(13) . .
O8 Ag5 Ag1 137.80(12) 2_656 .
C2 Ag5 Ag1 75.70(16) . .
C1 Ag5 Ag1 47.50(14) . .
O5 Ag5 Ag4 106.7(2) . .
O8 Ag5 Ag4 80.65(13) . .
O8 Ag5 Ag4 154.43(14) 2_656 .
C2 Ag5 Ag4 59.61(17) . .
C1 Ag5 Ag4 53.34(14) . .
Ag1 Ag5 Ag4 64.12(2) . .
O13 Ag6 O12 163.1(2) 2_665 .
O13 Ag6 O10 101.0(2) 2_665 .
O12 Ag6 O10 92.2(2) . .
O13 Ag6 Ag6 82.65(16) 2_665 2_665
O12 Ag6 Ag6 80.65(15) . 2_665
O10 Ag6 Ag6 133.19(12) . 2_665
C6 Ag7 O2 155.46(16) 1_655 .
C6 Ag7 O4 126.71(17) 1_655 .
O2 Ag7 O4 74.66(17) . .
C6 Ag7 O1W 119.38(17) 1_655 .
O2 Ag7 O1W 75.76(17) . .
O4 Ag7 O1W 72.53(18) . .
C2 C1 Ag1 150.5(6) . .
C2 C1 Ag3 124.8(5) . .
Ag1 C1 Ag3 81.0(2) . .
C2 C1 Ag2 115.0(5) . .
Ag1 C1 Ag2 80.38(19) . .
Ag3 C1 Ag2 80.64(19) . .
C2 C1 Ag4 88.2(5) . .
Ag1 C1 Ag4 82.8(2) . .
Ag3 C1 Ag4 78.81(19) . .
Ag2 C1 Ag4 155.2(3) . .
C2 C1 Ag5 74.5(5) . .
Ag1 C1 Ag5 75.99(18) . .
Ag3 C1 Ag5 145.0(3) . .
Ag2 C1 Ag5 120.2(2) . .
Ag4 C1 Ag5 72.47(17) . .
C1 C2 C3 167.8(7) . .
C1 C2 Ag5 77.3(5) . .
C3 C2 Ag5 114.7(4) . .
C1 C2 Ag4 65.3(4) . .
C3 C2 Ag4 115.3(4) . .
Ag5 C2 Ag4 68.81(19) . .
O1 C3 C2 112.6(5) . .
O1 C3 H3A 109.1 . .
C2 C3 H3A 109.1 . .
O1 C3 H3B 109.1 . .
C2 C3 H3B 109.1 . .
H3A C3 H3B 107.8 . .
O1 C4 C5 112.4(4) . .
O1 C4 C9 127.6(4) . .
C5 C4 C9 120.0 . .
C4 C5 C6 120.0 . .
C4 C5 H5 120.0 . .
C6 C5 H5 120.0 . .
C7 C6 C5 120.0 . .
C7 C6 Ag7 89.37(12) . 1_455
C5 C6 Ag7 93.53(12) . 1_455
C7 C6 H6 120.0 . .
C5 C6 H6 120.0 . .
Ag7 C6 H6 87.1 1_455 .
C6 C7 C8 120.0 . .
C6 C7 H7 120.0 . .
C8 C7 H7 120.0 . .
C9 C8 C7 120.0 . .
C9 C8 H8 120.0 . .
C7 C8 H8 120.0 . .
C4 C9 C8 120.0 . .
C4 C9 H9 120.0 . .
C8 C9 H9 120.0 . .
C4 O1 C3 119.2(6) . .
C10 O2 Ag7 136.6(4) . .
C10 O2 Ag1 127.1(4) . .
Ag7 O2 Ag1 92.57(16) . .
C10 O3 Ag2 115.5(4) . .
O3 C10 O2 128.6(6) . .
O3 C10 C11 115.3(6) . .
O2 C10 C11 116.1(6) . .
F5 C11 F4 104.5(8) . .
F5 C11 C12 111.3(8) . .
F4 C11 C12 106.0(7) . .
F5 C11 C10 111.0(6) . .
F4 C11 C10 111.3(7) . .
C12 C11 C10 112.4(7) . .
F2 C12 F1 110.6(9) . .
F2 C12 F3 110.0(7) . .
F1 C12 F3 109.8(8) . .
F2 C12 C11 107.0(8) . .
F1 C12 C11 109.7(8) . .
F3 C12 C11 109.7(10) . .
C13 O4 Ag1 122.8(5) . .
C13 O4 Ag7 145.1(5) . .
Ag1 O4 Ag7 91.66(17) . .
C13 O5 Ag5 123.2(5) . .
O5 C13 O4 130.0(7) . .
O5 C13 C14 113.7(7) . .
O4 C13 C14 116.3(7) . .
F10 C14 F9 108.8(12) . .
F10 C14 C15 110.8(11) . .
F9 C14 C15 102.3(8) . .
F10 C14 C13 111.6(8) . .
F9 C14 C13 108.3(10) . .
C15 C14 C13 114.5(9) . .
F7 C15 F6 108.2(9) . .
F7 C15 F8 109.0(8) . .
F6 C15 F8 108.7(8) . .
F7 C15 C14 112.8(10) . .
F6 C15 C14 107.8(9) . .
F8 C15 C14 110.1(10) . .
C16 O6 Ag2 139.0(4) . 2_655
C16 O6 Ag2 122.4(4) . .
Ag2 O6 Ag2 98.55(16) 2_655 .
C16 O7 Ag3 110.9(4) . .
O6 C16 O7 127.9(6) . .
O6 C16 C17 118.3(7) . .
O7 C16 C17 113.8(6) . .
F14 C17 C18 111.1(10) . .
F14 C17 F15 106.2(11) . .
C18 C17 F15 94.8(11) . .
F14 C17 C16 115.2(8) . .
C18 C17 C16 117.4(8) . .
F15 C17 C16 109.5(8) . .
F11 C18 F13 107.2(8) . .
F11 C18 F12 106.6(9) . .
F13 C18 F12 107.3(8) . .
F11 C18 C17 118.7(9) . .
F13 C18 C17 119.7(10) . .
F12 C18 C17 95.4(10) . .
C19 O8 Ag5 122.8(5) . .
C19 O8 Ag5 135.9(5) . 2_656
Ag5 O8 Ag5 100.81(19) . 2_656
C19 O9 Ag4 125.3(5) . .
O9 C19 O8 128.9(8) . .
O9 C19 C20 114.6(7) . .
O8 C19 C20 116.6(7) . .
F20 C20 C21 110.6(12) . .
F20 C20 F19 100.1(16) . .
C21 C20 F19 105.9(11) . .
F20 C20 C19 111.0(9) . .
C21 C20 C19 117.1(13) . .
F19 C20 C19 110.8(10) . .
F16 C21 F17 112.8(12) . .
F16 C21 F18 112.6(13) . .
F17 C21 F18 112.7(11) . .
F16 C21 C20 107.3(14) . .
F17 C21 C20 114.9(18) . .
F18 C21 C20 95.2(15) . .
C22 O10 Ag3 125.3(5) . .
C22 O10 Ag6 136.6(5) . .
Ag3 O10 Ag6 97.9(2) . .
C22 O11 Ag4 119.5(6) . .
O10 C22 O11 129.9(7) . .
O10 C22 C23 115.7(8) . .
O11 C22 C23 114.4(8) . .
C24 C23 F24 116.0(10) . .
C24 C23 C22 121.5(15) . .
F24 C23 C22 111.9(11) . .
C24 C23 F25 98.6(11) . .
F24 C23 F25 96.6(14) . .
C22 C23 F25 107.5(10) . .
F22 C24 C23 111.2(12) . .
F22 C24 F21 115.2(9) . .
C23 C24 F21 87.5(12) . .
F22 C24 F23 114.0(8) . .
C23 C24 F23 110.0(13) . .
F21 C24 F23 115.8(8) . .
C25 O12 Ag6 124.4(5) . .
C25 O13 Ag6 122.1(6) . 2_665
O12 C25 O13 129.9(8) . .
O12 C25 C26 115.7(8) . .
O13 C25 C26 114.4(9) . .
F29 C26 C27 109.1(13) . .
F29 C26 F30 113.0(16) . .
C27 C26 F30 94.7(14) . .
F29 C26 C25 110.6(13) . .
C27 C26 C25 119.0(11) . .
F30 C26 C25 109.5(9) . .
F27 C27 F26 112.9(11) . .
F27 C27 F28 112.5(9) . .
F26 C27 F28 112.4(10) . .
F27 C27 C26 106.4(13) . .
F26 C27 C26 101.5(13) . .
F28 C27 C26 110.5(14) . .
Ag1 O1W Ag7 86.16(18) . .
Ag1 O1W H1WA 114.3 . .
Ag7 O1W H1WA 114.3 . .
Ag1 O1W H1WB 114.2 . .
Ag7 O1W H1WB 114.2 . .
H1WA O1W H1WB 111.5 . .
Ag3 O2W H2WC 109.5 . .
Ag3 O2W H2WA 109.6 . .
H2WC O2W H2WA 109.8 . .
Ag4 O3W H3WA 109.3 . .
Ag4 O3W H3WC 108.4 . .
H3WA O3W H3WC 109.5 . .
H4WB O4W H4WA 107.8 . .
H5WA O5W H5WC 109.5 . .
H6WA O6W H6WB 112.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 C1 2.186(6) .
Ag1 O4 2.328(5) .
Ag1 O2 2.396(4) .
Ag1 O1W 2.487(5) .
Ag1 Ag5 2.8773(7) .
Ag1 Ag2 2.8796(7) .
Ag1 Ag3 2.8944(8) .
Ag1 Ag4 3.0707(9) .
Ag2 C1 2.274(6) .
Ag2 O6 2.328(4) 2_655
Ag2 O3 2.351(4) .
Ag2 O6 2.490(5) .
Ag2 Ag3 2.9413(7) .
Ag3 C1 2.271(6) .
Ag3 O10 2.315(5) .
Ag3 O2W 2.329(5) .
Ag3 O7 2.470(5) .
Ag3 Ag4 2.9973(9) .
Ag4 O11 2.254(6) .
Ag4 O9 2.302(6) .
Ag4 C1 2.446(6) .
Ag4 O3W 2.448(15) .
Ag4 C2 2.690(7) .
Ag4 Ag5 2.9075(8) .
Ag5 O5 2.231(6) .
Ag5 O8 2.362(5) .
Ag5 O8 2.420(5) 2_656
Ag5 C2 2.443(8) .
Ag5 C1 2.473(6) .
Ag6 O13 2.187(6) 2_665
Ag6 O12 2.202(6) .
Ag6 O10 2.533(6) .
Ag6 Ag6 2.8695(11) 2_665
Ag7 C6 2.350(3) 1_655
Ag7 O2 2.366(5) .
Ag7 O4 2.468(5) .
Ag7 O1W 2.551(6) .
C1 C2 1.198(9) .
C2 C3 1.511(7) .
C3 O1 1.405(10) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 O1 1.360(10) .
C4 C5 1.3899 .
C4 C9 1.3900 .
C5 C6 1.3900 .
C5 H5 0.9300 .
C6 C7 1.3900 .
C6 Ag7 2.350(3) 1_455
C6 H6 0.9300 .
C7 C8 1.3901 .
C7 H7 0.9299 .
C8 C9 1.3901 .
C8 H8 0.9299 .
C9 H9 0.9300 .
O2 C10 1.245(8) .
O3 C10 1.242(8) .
C10 C11 1.547(10) .
C11 F5 1.352(10) .
C11 F4 1.354(10) .
C11 C12 1.510(17) .
C12 F2 1.306(8) .
C12 F1 1.307(9) .
C12 F3 1.310(8) .
O4 C13 1.224(9) .
O5 C13 1.224(10) .
C13 C14 1.564(11) .
C14 F10 1.289(13) .
C14 F9 1.382(15) .
C14 C15 1.463(18) .
C15 F7 1.314(9) .
C15 F6 1.320(9) .
C15 F8 1.320(8) .
O6 C16 1.236(8) .
O6 Ag2 2.328(4) 2_655
O7 C16 1.242(8) .
C16 C17 1.514(11) .
C17 F14 1.259(12) .
C17 C18 1.411(16) .
C17 F15 1.455(14) .
C18 F11 1.313(9) .
C18 F13 1.316(8) .
C18 F12 1.340(9) .
O8 C19 1.221(9) .
O8 Ag5 2.420(5) 2_656
O9 C19 1.207(10) .
C19 C20 1.583(13) .
C20 F20 1.336(15) .
C20 C21 1.35(2) .
C20 F19 1.403(17) .
C21 F16 1.233(11) .
C21 F17 1.249(10) .
C21 F18 1.250(11) .
O10 C22 1.202(10) .
O11 C22 1.236(11) .
C22 C23 1.556(13) .
C23 C24 1.33(2) .
C23 F24 1.379(17) .
C23 F25 1.597(19) .
C24 F22 1.318(9) .
C24 F21 1.336(9) .
C24 F23 1.339(9) .
O12 C25 1.218(11) .
O13 C25 1.247(11) .
O13 Ag6 2.187(6) 2_665
C25 C26 1.561(13) .
C26 F29 1.248(18) .
C26 C27 1.41(2) .
C26 F30 1.450(18) .
C27 F27 1.299(10) .
C27 F26 1.307(10) .
C27 F28 1.311(9) .
O1W H1WA 0.8500 .
O1W H1WB 0.8501 .
O2W H2WC 0.8500 .
O2W H2WA 0.8200 .
O3W H3WA 0.8500 .
O3W H3WC 0.8499 .
O4W H4WB 0.8501 .
O4W H4WA 0.8500 .
O5W H5WA 0.8500 .
O5W H5WC 0.8500 .
O6W H6WA 0.8500 .
O6W H6WB 0.8501 .
