#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:54:53 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179459 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/56/4335655.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_4335655
loop_
_publ_author_name
'Ting Hu'
'Thomas C. W. Mak'
_publ_section_title
;
 Silver(I) Multiple Salts Assembled with Phosphonate,
 Perfluorocarboxylate, and the Multinuclear Silver-Ethynediide
 Supramolecular Synthon
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9066
_journal_page_last               9076
_journal_paper_doi               10.1021/ic401259r
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C30 H23 Ag9 F6 O16 P4'
_chemical_formula_weight         1848.19
_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                 105.644(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   33.403(3)
_cell_length_b                   13.8873(12)
_cell_length_c                   18.3033(15)
_cell_measurement_reflns_used    40820
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.729
_cell_measurement_theta_min      2.303
_cell_volume                     8176.0(12)
_computing_cell_refinement       SAINT(Bruker,2001)
_computing_data_collection       APEX2(Bruker,2003)
_computing_data_reduction        APEX2(Bruker,2003)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.1203
_diffrn_reflns_av_sigmaI/netI    0.1098
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            38192
_diffrn_reflns_theta_full        28.08
_diffrn_reflns_theta_max         28.08
_diffrn_reflns_theta_min         1.87
_exptl_absorpt_coefficient_mu    4.469
_exptl_absorpt_correction_T_max  0.6635
_exptl_absorpt_correction_T_min  0.4685
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.003
_exptl_crystal_description       rhombus-like
_exptl_crystal_F_000             6944
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.049
_refine_diff_density_min         -1.587
_refine_diff_density_rms         0.331
_refine_ls_extinction_coef       0.00037(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     587
_refine_ls_number_reflns         9875
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.1017
_refine_ls_R_factor_gt           0.0669
_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)+(0.0829P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1530
_refine_ls_wR_factor_ref         0.1722
_reflns_number_gt                6841
_reflns_number_total             9875
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic401259r_si_002_3.cif
_cod_data_source_block           3
_cod_database_code               4335655
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 0.24232(3) 0.25998(5) 0.08093(4) 0.0344(2) Uani 1 1 d .
Ag2 Ag 0.29687(3) 0.26463(5) 0.23980(4) 0.0354(2) Uani 1 1 d .
Ag3 Ag 0.30845(2) 0.12262(6) 0.11002(4) 0.0365(2) Uani 1 1 d .
Ag4 Ag 0.27854(3) -0.02003(5) 0.23428(5) 0.0437(2) Uani 1 1 d .
Ag5 Ag 0.22762(3) 0.04025(6) 0.07659(4) 0.0497(3) Uani 1 1 d .
Ag6 Ag 0.19555(2) 0.02906(5) 0.22907(5) 0.0426(2) Uani 1 1 d .
Ag7 Ag 0.19170(3) 0.24030(5) 0.21439(5) 0.0387(2) Uani 1 1 d .
Ag8 Ag 0.25534(3) 0.15008(6) 0.34718(4) 0.0481(2) Uani 1 1 d .
Ag9 Ag 0.38778(3) 0.38473(5) 0.31548(5) 0.0459(2) Uani 1 1 d .
P1 P 0.31476(8) 0.43446(15) 0.10988(12) 0.0265(5) Uani 1 1 d .
P2 P 0.31774(8) -0.14666(15) 0.11829(13) 0.0248(5) Uani 1 1 d .
P3 P 0.31759(7) 0.33674(14) 0.42028(12) 0.0206(4) Uani 1 1 d .
P4 P 0.18021(7) 0.42024(14) 0.07571(12) 0.0214(4) Uani 1 1 d .
F1 F 0.4540(2) 0.1286(5) 0.2951(5) 0.074(2) Uani 1 1 d .
F2 F 0.4546(2) 0.2776(5) 0.2747(5) 0.070(2) Uani 1 1 d .
F3 F 0.4565(2) 0.1806(7) 0.1882(4) 0.075(2) Uani 1 1 d .
F4 F 0.0449(3) 0.0855(11) 0.1985(7) 0.154(6) Uani 1 1 d .
F5 F 0.0449(3) 0.0689(10) 0.0873(7) 0.135(5) Uani 1 1 d .
F6 F 0.0415(3) 0.2015(7) 0.1289(8) 0.132(5) Uani 1 1 d .
C1 C 0.2460(3) 0.1292(6) 0.2249(5) 0.0243(18) Uani 1 1 d .
C2 C 0.2579(3) 0.1428(5) 0.1676(5) 0.0244(18) Uani 1 1 d .
C3 C 0.3921(3) 0.1922(6) 0.2186(5) 0.0283(19) Uani 1 1 d .
C4 C 0.4399(3) 0.1950(8) 0.2457(6) 0.042(2) Uani 1 1 d .
C5 C 0.1067(3) 0.1258(6) 0.1707(6) 0.032(2) Uani 1 1 d .
C6 C 0.0588(3) 0.1200(7) 0.1459(7) 0.040(2) Uani 1 1 d .
C7 C 0.3661(3) 0.4185(6) 0.0990(5) 0.030(2) Uani 1 1 d .
C8 C 0.3740(4) 0.3524(7) 0.0489(7) 0.043(3) Uani 1 1 d .
H8 H 0.3521 0.3171 0.0182 0.052 Uiso 1 1 calc R
C9 C 0.4145(4) 0.3373(8) 0.0434(8) 0.059(3) Uani 1 1 d .
H9 H 0.4197 0.2918 0.0099 0.071 Uiso 1 1 calc R
C10 C 0.4467(4) 0.3906(9) 0.0882(9) 0.062(4) Uani 1 1 d .
H10 H 0.4734 0.3826 0.0831 0.074 Uiso 1 1 calc R
C11 C 0.4396(4) 0.4567(8) 0.1411(7) 0.052(3) Uani 1 1 d .
H11 H 0.4616 0.4904 0.1729 0.062 Uiso 1 1 calc R
C12 C 0.3991(3) 0.4708(8) 0.1453(7) 0.047(3) Uani 1 1 d .
H12 H 0.3938 0.5156 0.1793 0.056 Uiso 1 1 calc R
C13 C 0.3729(3) -0.1640(6) 0.1335(5) 0.0289(19) Uani 1 1 d .
C14 C 0.3896(4) -0.2555(8) 0.1350(7) 0.045(3) Uani 1 1 d .
H14 H 0.3726 -0.3095 0.1258 0.054 Uiso 1 1 calc R
C15 C 0.4322(4) -0.2644(9) 0.1506(7) 0.058(3) Uani 1 1 d .
H15 H 0.4437 -0.3257 0.1521 0.069 Uiso 1 1 calc R
C16 C 0.4576(4) -0.1882(10) 0.1636(7) 0.058(3) Uani 1 1 d .
H16 H 0.4861 -0.1966 0.1730 0.070 Uiso 1 1 calc R
C17 C 0.4409(4) -0.0954(9) 0.1628(7) 0.057(3) Uani 1 1 d .
H17 H 0.4580 -0.0415 0.1720 0.069 Uiso 1 1 calc R
C18 C 0.3991(4) -0.0862(8) 0.1485(7) 0.053(3) Uani 1 1 d .
H18 H 0.3879 -0.0250 0.1489 0.064 Uiso 1 1 calc R
C19 C 0.3721(3) 0.3070(6) 0.4435(5) 0.0278(19) Uani 1 1 d .
C20 C 0.3852(3) 0.2108(6) 0.4421(5) 0.034(2) Uani 1 1 d .
H20 H 0.3658 0.1612 0.4316 0.041 Uiso 1 1 calc R
C21 C 0.4269(3) 0.1905(7) 0.4563(6) 0.042(2) Uani 1 1 d .
H21 H 0.4356 0.1271 0.4547 0.050 Uiso 1 1 calc R
C22 C 0.4561(4) 0.2639(8) 0.4730(8) 0.055(3) Uani 1 1 d .
H22 H 0.4842 0.2486 0.4835 0.067 Uiso 1 1 calc R
C23 C 0.4447(3) 0.3575(8) 0.4742(7) 0.050(3) Uani 1 1 d .
H23 H 0.4645 0.4062 0.4830 0.059 Uiso 1 1 calc R
C24 C 0.4021(3) 0.3796(6) 0.4619(6) 0.033(2) Uani 1 1 d .
H24 H 0.3939 0.4429 0.4661 0.039 Uiso 1 1 calc R
C25 C 0.1254(3) 0.4240(6) 0.0697(5) 0.0276(19) Uani 1 1 d .
C26 C 0.0966(3) 0.4159(8) 0.0008(6) 0.039(2) Uani 1 1 d .
H26 H 0.1053 0.4125 -0.0433 0.047 Uiso 1 1 calc R
C27 C 0.0543(3) 0.4126(7) -0.0036(7) 0.045(3) Uani 1 1 d .
H27 H 0.0350 0.4032 -0.0503 0.055 Uiso 1 1 calc R
C28 C 0.0414(4) 0.4230(7) 0.0599(8) 0.049(3) Uani 1 1 d .
H28 H 0.0130 0.4233 0.0563 0.058 Uiso 1 1 calc R
C29 C 0.0698(4) 0.4334(8) 0.1307(7) 0.049(3) Uani 1 1 d .
H29 H 0.0609 0.4410 0.1742 0.059 Uiso 1 1 calc R
C30 C 0.1123(3) 0.4322(7) 0.1346(6) 0.037(2) Uani 1 1 d .
H30 H 0.1318 0.4369 0.1815 0.045 Uiso 1 1 calc R
O1 O 0.3738(2) 0.2426(5) 0.2566(5) 0.0458(18) Uani 1 1 d .
O2 O 0.3771(2) 0.1385(5) 0.1655(5) 0.0472(19) Uani 1 1 d .
O3 O 0.1216(2) 0.2040(5) 0.1674(5) 0.057(2) Uani 1 1 d .
O4 O 0.1240(2) 0.0473(5) 0.1902(5) 0.0461(19) Uani 1 1 d .
O5 O 0.2847(2) 0.3793(4) 0.0475(3) 0.0303(14) Uani 1 1 d .
O6 O 0.3141(2) 0.4087(4) 0.1895(3) 0.0341(16) Uani 1 1 d .
O7 O 0.3056(2) 0.5458(4) 0.1032(3) 0.0340(15) Uani 1 1 d .
H7A H 0.3070 0.5651 0.0617 0.051 Uiso 1 1 calc R
O8 O 0.3052(2) -0.0553(4) 0.0726(3) 0.0331(15) Uani 1 1 d .
O9 O 0.3078(2) -0.1441(4) 0.1936(3) 0.0311(15) Uani 1 1 d .
O10 O 0.2963(2) -0.2366(4) 0.0753(4) 0.0328(15) Uani 1 1 d .
H10A H 0.2973 -0.2342 0.0311 0.049 Uiso 1 1 calc R
O11 O 0.18693(19) 0.3542(4) 0.0143(3) 0.0262(13) Uani 1 1 d .
O12 O 0.2035(2) 0.3900(4) 0.1550(3) 0.0292(14) Uani 1 1 d .
O13 O 0.1946(2) 0.5258(4) 0.0644(3) 0.0268(13) Uani 1 1 d .
H13A H 0.1944 0.5336 0.0199 0.040 Uiso 1 1 calc R
O14 O 0.3054(2) 0.3682(4) 0.3372(3) 0.0306(14) Uani 1 1 d .
O15 O 0.3124(2) 0.4198(4) 0.4713(3) 0.0267(13) Uani 1 1 d .
O16 O 0.29524(19) 0.2467(4) 0.4353(3) 0.0261(13) 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'
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'
P P 0.1023 0.0942 '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
C2 Ag1 O11 141.5(3) . .
C2 Ag1 O5 130.8(3) . .
O11 Ag1 O5 85.3(2) . .
C2 Ag1 Ag3 50.3(2) . .
O11 Ag1 Ag3 159.93(15) . .
O5 Ag1 Ag3 91.65(16) . .
C2 Ag1 Ag2 50.2(2) . .
O11 Ag1 Ag2 133.51(14) . .
O5 Ag1 Ag2 89.20(16) . .
Ag3 Ag1 Ag2 66.11(3) . .
C2 Ag1 Ag5 45.9(2) . .
O11 Ag1 Ag5 116.36(14) . .
O5 Ag1 Ag5 141.96(15) . .
Ag3 Ag1 Ag5 56.97(3) . .
Ag2 Ag1 Ag5 95.59(3) . .
C2 Ag1 Ag1 122.5(2) . 7
O11 Ag1 Ag1 82.24(15) . 7
O5 Ag1 Ag1 63.75(14) . 7
Ag3 Ag1 Ag1 78.63(3) . 7
Ag2 Ag1 Ag1 134.88(4) . 7
Ag5 Ag1 Ag1 87.36(3) . 7
C2 Ag1 Ag7 59.1(2) . .
O11 Ag1 Ag7 86.62(15) . .
O5 Ag1 Ag7 134.77(14) . .
Ag3 Ag1 Ag7 109.14(3) . .
Ag2 Ag1 Ag7 65.51(3) . .
Ag5 Ag1 Ag7 80.18(3) . .
Ag1 Ag1 Ag7 157.53(5) 7 .
O14 Ag2 C2 148.2(3) . .
O14 Ag2 O6 76.9(2) . .
C2 Ag2 O6 124.1(3) . .
O14 Ag2 C1 120.3(2) . .
C2 Ag2 C1 29.3(3) . .
O6 Ag2 C1 146.4(3) . .
O14 Ag2 O1 94.3(2) . .
C2 Ag2 O1 112.2(3) . .
O6 Ag2 O1 78.5(2) . .
C1 Ag2 O1 124.2(3) . .
O14 Ag2 Ag1 134.36(17) . .
C2 Ag2 Ag1 47.8(2) . .
O6 Ag2 Ag1 77.63(17) . .
C1 Ag2 Ag1 70.1(2) . .
O1 Ag2 Ag1 116.72(18) . .
O14 Ag2 Ag8 79.03(16) . .
C2 Ag2 Ag8 73.2(2) . .
O6 Ag2 Ag8 151.68(15) . .
C1 Ag2 Ag8 44.2(2) . .
O1 Ag2 Ag8 118.14(19) . .
Ag1 Ag2 Ag8 110.07(3) . .
O14 Ag2 Ag3 166.21(18) . .
C2 Ag2 Ag3 44.5(2) . .
O6 Ag2 Ag3 98.26(14) . .
C1 Ag2 Ag3 70.65(19) . .
O1 Ag2 Ag3 72.04(16) . .
Ag1 Ag2 Ag3 55.00(2) . .
Ag8 Ag2 Ag3 108.47(3) . .
C2 Ag3 O2 125.5(3) . .
C2 Ag3 O11 134.1(3) . 7
O2 Ag3 O11 95.7(3) . 7
C2 Ag3 O8 105.3(2) . .
O2 Ag3 O8 100.3(2) . .
O11 Ag3 O8 83.21(18) 7 .
C2 Ag3 Ag5 50.0(2) . .
O2 Ag3 Ag5 158.1(2) . .
O11 Ag3 Ag5 98.83(15) 7 .
O8 Ag3 Ag5 65.48(16) . .
C2 Ag3 Ag1 50.2(2) . .
O2 Ag3 Ag1 131.29(18) . .
O11 Ag3 Ag1 88.70(14) 7 .
O8 Ag3 Ag1 128.33(16) . .
Ag5 Ag3 Ag1 65.60(3) . .
C2 Ag3 Ag2 46.6(2) . .
O2 Ag3 Ag2 85.25(18) . .
O11 Ag3 Ag2 133.70(13) 7 .
O8 Ag3 Ag2 142.33(13) . .
Ag5 Ag3 Ag2 96.33(3) . .
Ag1 Ag3 Ag2 58.89(3) . .
C2 Ag3 Ag4 49.9(2) . .
O2 Ag3 Ag4 101.8(2) . .
O11 Ag3 Ag4 147.81(14) 7 .
O8 Ag3 Ag4 67.27(13) . .
Ag5 Ag3 Ag4 58.04(3) . .
Ag1 Ag3 Ag4 99.40(3) . .
Ag2 Ag3 Ag4 75.10(2) . .
O9 Ag4 O12 80.8(2) . 4_545
O9 Ag4 C1 155.7(3) . .
O12 Ag4 C1 123.4(2) 4_545 .
O9 Ag4 C2 127.8(2) . .
O12 Ag4 C2 149.5(2) 4_545 .
C1 Ag4 C2 28.5(3) . .
O9 Ag4 Ag6 134.03(19) . .
O12 Ag4 Ag6 100.32(16) 4_545 .
C1 Ag4 Ag6 49.42(19) . .
C2 Ag4 Ag6 68.76(19) . .
O9 Ag4 Ag5 94.57(17) . .
O12 Ag4 Ag5 157.42(17) 4_545 .
C1 Ag4 Ag5 63.5(2) . .
C2 Ag4 Ag5 45.53(19) . .
Ag6 Ag4 Ag5 67.07(3) . .
O9 Ag4 Ag8 162.16(17) . .
O12 Ag4 Ag8 83.65(14) 4_545 .
C1 Ag4 Ag8 40.5(2) . .
C2 Ag4 Ag8 66.27(19) . .
Ag6 Ag4 Ag8 57.72(3) . .
Ag5 Ag4 Ag8 103.11(3) . .
O9 Ag4 Ag3 89.57(15) . .
O12 Ag4 Ag3 148.71(17) 4_545 .
C1 Ag4 Ag3 69.1(2) . .
C2 Ag4 Ag3 41.64(18) . .
Ag6 Ag4 Ag3 107.58(3) . .
Ag5 Ag4 Ag3 52.36(2) . .
Ag8 Ag4 Ag3 99.29(3) . .
O15 Ag5 C2 154.6(3) 4_545 .
O15 Ag5 O5 92.6(2) 4_545 7
C2 Ag5 O5 109.3(3) . 7
O15 Ag5 Ag3 147.36(17) 4_545 .
C2 Ag5 Ag3 50.6(2) . .
O5 Ag5 Ag3 85.94(15) 7 .
O15 Ag5 Ag4 107.24(15) 4_545 .
C2 Ag5 Ag4 55.9(2) . .
O5 Ag5 Ag4 155.51(16) 7 .
Ag3 Ag5 Ag4 69.60(3) . .
O15 Ag5 Ag1 147.90(16) 4_545 .
C2 Ag5 Ag1 46.3(2) . .
O5 Ag5 Ag1 63.99(13) 7 .
Ag3 Ag5 Ag1 57.43(3) . .
Ag4 Ag5 Ag1 101.71(3) . .
O15 Ag5 Ag6 90.00(15) 4_545 .
C2 Ag5 Ag6 64.8(2) . .
O5 Ag5 Ag6 143.19(15) 7 .
Ag3 Ag5 Ag6 110.37(3) . .
Ag4 Ag5 Ag6 53.31(2) . .
Ag1 Ag5 Ag6 96.43(3) . .
C1 Ag6 O4 131.0(3) . .
C1 Ag6 O6 135.9(3) . 4_545
O4 Ag6 O6 88.0(3) . 4_545
C1 Ag6 O14 116.7(3) . 4_545
O4 Ag6 O14 94.1(2) . 4_545
O6 Ag6 O14 71.75(19) 4_545 4_545
C1 Ag6 Ag4 53.2(2) . .
O4 Ag6 Ag4 163.0(2) . .
O6 Ag6 Ag4 96.29(17) 4_545 .
O14 Ag6 Ag4 71.93(16) 4_545 .
C1 Ag6 Ag7 51.9(2) . .
O4 Ag6 Ag7 81.20(16) . .
O6 Ag6 Ag7 140.02(14) 4_545 .
O14 Ag6 Ag7 146.96(13) 4_545 .
Ag4 Ag6 Ag7 105.14(3) . .
C1 Ag6 Ag8 46.4(2) . .
O4 Ag6 Ag8 125.89(19) . .
O6 Ag6 Ag8 96.94(17) 4_545 .
O14 Ag6 Ag8 138.66(16) 4_545 .
Ag4 Ag6 Ag8 70.01(3) . .
Ag7 Ag6 Ag8 61.07(3) . .
C1 Ag6 Ag5 60.5(2) . .
O4 Ag6 Ag5 106.4(2) . .
O6 Ag6 Ag5 136.14(14) 4_545 .
O14 Ag6 Ag5 66.18(13) 4_545 .
Ag4 Ag6 Ag5 59.62(3) . .
Ag7 Ag6 Ag5 83.72(3) . .
Ag8 Ag6 Ag5 106.26(3) . .
C1 Ag6 Ag9 164.5(2) . 4_545
O4 Ag6 Ag9 43.06(16) . 4_545
O6 Ag6 Ag9 58.27(18) 4_545 4_545
O14 Ag6 Ag9 56.94(16) 4_545 4_545
Ag4 Ag6 Ag9 127.32(3) . 4_545
Ag7 Ag6 Ag9 124.13(3) . 4_545
Ag8 Ag6 Ag9 148.40(4) . 4_545
Ag5 Ag6 Ag9 105.32(3) . 4_545
O3 Ag7 O9 103.2(3) . 4
O3 Ag7 C1 124.6(3) . .
O9 Ag7 C1 122.7(3) 4 .
O3 Ag7 O12 106.8(2) . .
O9 Ag7 O12 76.3(2) 4 .
C1 Ag7 O12 112.5(2) . .
O3 Ag7 Ag6 80.36(17) . .
O9 Ag7 Ag6 129.07(15) 4 .
C1 Ag7 Ag6 47.56(18) . .
O12 Ag7 Ag6 152.31(14) . .
O3 Ag7 Ag8 128.7(2) . .
O9 Ag7 Ag8 80.67(17) 4 .
C1 Ag7 Ag8 46.0(2) . .
O12 Ag7 Ag8 123.28(16) . .
Ag6 Ag7 Ag8 60.78(3) . .
O3 Ag7 Ag1 114.0(2) . .
O9 Ag7 Ag1 124.62(15) 4 .
C1 Ag7 Ag1 65.2(2) . .
O12 Ag7 Ag1 54.97(14) . .
Ag6 Ag7 Ag1 97.47(3) . .
Ag8 Ag7 Ag1 103.67(3) . .
C1 Ag8 O16 135.0(3) . .
C1 Ag8 Ag6 46.6(2) . .
O16 Ag8 Ag6 175.43(16) . .
C1 Ag8 Ag7 50.3(2) . .
O16 Ag8 Ag7 118.80(15) . .
Ag6 Ag8 Ag7 58.15(3) . .
C1 Ag8 Ag2 52.5(2) . .
O16 Ag8 Ag2 82.50(15) . .
Ag6 Ag8 Ag2 98.78(3) . .
Ag7 Ag8 Ag2 67.70(3) . .
C1 Ag8 Ag4 43.4(2) . .
O16 Ag8 Ag4 132.23(16) . .
Ag6 Ag8 Ag4 52.27(3) . .
Ag7 Ag8 Ag4 91.47(3) . .
Ag2 Ag8 Ag4 75.91(3) . .
O1 Ag9 O4 146.9(3) . 4
O1 Ag9 Ag6 111.0(2) . 4
O4 Ag9 Ag6 43.72(17) 4 4
O6 P1 O5 115.5(4) . .
O6 P1 O7 104.8(3) . .
O5 P1 O7 111.4(4) . .
O6 P1 C7 110.0(4) . .
O5 P1 C7 108.3(4) . .
O7 P1 C7 106.6(4) . .
O9 P2 O8 113.0(3) . .
O9 P2 O10 107.4(4) . .
O8 P2 O10 112.0(4) . .
O9 P2 C13 109.3(4) . .
O8 P2 C13 108.4(4) . .
O10 P2 C13 106.5(4) . .
O16 P3 O15 111.7(3) . .
O16 P3 O14 113.8(4) . .
O15 P3 O14 110.4(3) . .
O16 P3 C19 106.5(4) . .
O15 P3 C19 107.7(4) . .
O14 P3 C19 106.4(4) . .
O12 P4 O11 113.8(3) . .
O12 P4 O13 106.8(3) . .
O11 P4 O13 110.8(3) . .
O12 P4 C25 108.6(4) . .
O11 P4 C25 108.9(4) . .
O13 P4 C25 107.8(4) . .
C2 C1 Ag8 149.2(7) . .
C2 C1 Ag6 123.5(7) . .
Ag8 C1 Ag6 86.9(3) . .
C2 C1 Ag4 87.1(6) . .
Ag8 C1 Ag4 96.1(3) . .
Ag6 C1 Ag4 77.3(2) . .
C2 C1 Ag7 104.4(7) . .
Ag8 C1 Ag7 83.7(3) . .
Ag6 C1 Ag7 80.5(3) . .
Ag4 C1 Ag7 157.8(4) . .
C2 C1 Ag2 67.2(5) . .
Ag8 C1 Ag2 83.3(3) . .
Ag6 C1 Ag2 167.2(4) . .
Ag4 C1 Ag2 111.9(3) . .
Ag7 C1 Ag2 90.1(3) . .
C1 C2 Ag5 110.8(6) . .
C1 C2 Ag1 130.5(7) . .
Ag5 C2 Ag1 87.9(3) . .
C1 C2 Ag3 147.1(8) . .
Ag5 C2 Ag3 79.3(3) . .
Ag1 C2 Ag3 79.5(3) . .
C1 C2 Ag2 83.5(6) . .
Ag5 C2 Ag2 165.7(4) . .
Ag1 C2 Ag2 82.0(2) . .
Ag3 C2 Ag2 88.9(3) . .
C1 C2 Ag4 64.4(5) . .
Ag5 C2 Ag4 78.6(2) . .
Ag1 C2 Ag4 163.3(4) . .
Ag3 C2 Ag4 88.5(3) . .
Ag2 C2 Ag4 109.5(4) . .
O2 C3 O1 128.5(9) . .
O2 C3 C4 116.1(8) . .
O1 C3 C4 115.3(8) . .
F1 C4 F2 108.5(10) . .
F1 C4 F3 107.2(9) . .
F2 C4 F3 105.2(9) . .
F1 C4 C3 111.0(9) . .
F2 C4 C3 113.4(8) . .
F3 C4 C3 111.1(9) . .
O3 C5 O4 129.9(10) . .
O3 C5 C6 116.3(9) . .
O4 C5 C6 113.8(8) . .
F4 C6 F5 107.9(12) . .
F4 C6 F6 106.7(12) . .
F5 C6 F6 104.6(12) . .
F4 C6 C5 111.1(10) . .
F5 C6 C5 113.1(9) . .
F6 C6 C5 113.0(9) . .
C8 C7 C12 119.3(10) . .
C8 C7 P1 121.2(8) . .
C12 C7 P1 119.4(7) . .
C7 C8 C9 120.7(11) . .
C10 C9 C8 119.4(11) . .
C9 C10 C11 120.9(11) . .
C12 C11 C10 118.6(11) . .
C11 C12 C7 120.9(10) . .
C18 C13 C14 119.0(10) . .
C18 C13 P2 119.8(7) . .
C14 C13 P2 121.1(8) . .
C15 C14 C13 118.4(11) . .
C16 C15 C14 122.3(11) . .
C15 C16 C17 119.7(12) . .
C18 C17 C16 118.4(11) . .
C17 C18 C13 122.3(10) . .
C24 C19 C20 119.0(9) . .
C24 C19 P3 120.3(6) . .
C20 C19 P3 120.8(7) . .
C21 C20 C19 119.6(9) . .
C20 C21 C22 120.5(9) . .
C23 C22 C21 121.6(11) . .
C22 C23 C24 118.8(10) . .
C19 C24 C23 120.5(9) . .
C26 C25 C30 119.4(9) . .
C26 C25 P4 120.2(7) . .
C30 C25 P4 120.3(8) . .
C25 C26 C27 120.5(9) . .
C28 C27 C26 120.0(11) . .
C27 C28 C29 120.9(11) . .
C28 C29 C30 118.3(10) . .
C25 C30 C29 120.7(10) . .
C3 O1 Ag9 133.5(6) . .
C3 O1 Ag2 129.3(6) . .
Ag9 O1 Ag2 91.5(2) . .
C3 O2 Ag3 124.7(6) . .
C5 O3 Ag7 124.5(7) . .
C5 O4 Ag9 142.5(7) . 4_545
C5 O4 Ag6 123.1(6) . .
Ag9 O4 Ag6 93.2(2) 4_545 .
P1 O5 Ag1 118.8(3) . .
P1 O5 Ag5 112.3(3) . 7
Ag1 O5 Ag5 126.4(3) . 7
P1 O6 Ag6 119.4(3) . 4
P1 O6 Ag2 130.8(3) . .
Ag6 O6 Ag2 105.8(2) 4 .
P2 O8 Ag3 132.5(4) . .
P2 O9 Ag4 123.7(3) . .
P2 O9 Ag7 133.5(3) . 4_545
Ag4 O9 Ag7 102.3(2) . 4_545
P4 O11 Ag1 102.0(3) . .
P4 O11 Ag3 134.4(3) . 7
Ag1 O11 Ag3 109.6(2) . 7
P4 O12 Ag4 129.4(3) . 4
P4 O12 Ag7 124.4(3) . .
Ag4 O12 Ag7 96.0(2) 4 .
P3 O14 Ag2 123.3(3) . .
P3 O14 Ag6 133.9(3) . 4
Ag2 O14 Ag6 101.6(2) . 4
P3 O15 Ag5 119.7(3) . 4
P3 O16 Ag8 126.0(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 C2 2.234(8) .
Ag1 O11 2.325(6) .
Ag1 O5 2.365(6) .
Ag1 Ag3 2.8579(10) .
Ag1 Ag2 2.9870(11) .
Ag1 Ag5 3.0883(11) .
Ag1 Ag1 3.1521(14) 7
Ag1 Ag7 3.3361(11) .
Ag2 O14 2.249(6) .
Ag2 C2 2.318(8) .
Ag2 O6 2.338(6) .
Ag2 C1 2.498(8) .
Ag2 O1 2.522(7) .
Ag2 Ag8 3.1286(11) .
Ag2 Ag3 3.1900(10) .
Ag3 C2 2.236(8) .
Ag3 O2 2.254(7) .
Ag3 O11 2.345(6) 7
Ag3 O8 2.559(6) .
Ag3 Ag5 2.8430(12) .
Ag3 Ag4 3.3648(11) .
Ag4 O9 2.207(6) .
Ag4 O12 2.318(6) 4_545
Ag4 C1 2.325(8) .
Ag4 C2 2.574(8) .
Ag4 Ag6 2.8310(11) .
Ag4 Ag5 3.0458(12) .
Ag4 Ag8 3.3636(11) .
Ag5 O15 2.173(6) 4_545
Ag5 C2 2.218(8) .
Ag5 O5 2.464(6) 7
Ag5 Ag6 3.2516(12) .
Ag6 C1 2.204(8) .
Ag6 O4 2.317(7) .
Ag6 O6 2.319(6) 4_545
Ag6 O14 2.538(6) 4_545
Ag6 Ag7 2.9455(10) .
Ag6 Ag8 3.0262(12) .
Ag6 Ag9 3.3476(11) 4_545
Ag7 O3 2.323(8) .
Ag7 O9 2.323(6) 4
Ag7 C1 2.350(8) .
Ag7 O12 2.427(6) .
Ag7 Ag8 3.0348(13) .
Ag8 C1 2.195(9) .
Ag8 O16 2.240(6) .
Ag9 O1 2.237(7) .
Ag9 O4 2.289(7) 4
Ag9 Ag6 3.3476(11) 4
P1 O6 1.507(6) .
P1 O5 1.510(7) .
P1 O7 1.575(6) .
P1 C7 1.791(10) .
P2 O9 1.503(6) .
P2 O8 1.515(6) .
P2 O10 1.545(7) .
P2 C13 1.803(10) .
P3 O16 1.519(6) .
P3 O15 1.523(6) .
P3 O14 1.528(6) .
P3 C19 1.803(9) .
P4 O12 1.510(7) .
P4 O11 1.513(6) .
P4 O13 1.574(6) .
P4 C25 1.804(9) .
F1 C4 1.288(13) .
F2 C4 1.303(12) .
F3 C4 1.331(12) .
F4 C6 1.270(14) .
F5 C6 1.265(14) .
F6 C6 1.271(12) .
C1 C2 1.230(11) .
C3 O2 1.221(11) .
C3 O1 1.256(11) .
C3 C4 1.537(14) .
C5 O3 1.202(11) .
C5 O4 1.240(11) .
C5 C6 1.543(14) .
C7 C8 1.373(13) .
C7 C12 1.399(14) .
C8 C9 1.401(16) .
C9 C10 1.377(19) .
C10 C11 1.400(17) .
C11 C12 1.390(15) .
C13 C18 1.372(14) .
C13 C14 1.386(13) .
C14 C15 1.379(16) .
C15 C16 1.337(18) .
C16 C17 1.402(18) .
C17 C18 1.353(17) .
C19 C24 1.396(12) .
C19 C20 1.408(11) .
C20 C21 1.376(15) .
C21 C22 1.386(16) .
C22 C23 1.357(15) .
C23 C24 1.412(14) .
C25 C26 1.369(14) .
C25 C30 1.378(12) .
C26 C27 1.394(14) .
C27 C28 1.354(16) .
C28 C29 1.392(17) .
C29 C30 1.401(14) .
O4 Ag9 2.289(7) 4_545
O5 Ag5 2.464(6) 7
O6 Ag6 2.319(6) 4
O9 Ag7 2.323(6) 4_545
O11 Ag3 2.345(6) 7
O12 Ag4 2.318(6) 4
O14 Ag6 2.538(6) 4
O15 Ag5 2.173(6) 4
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O13 H13A O8 0.82 1.72 2.542(8) 177.4 7
O10 H10A O16 0.82 1.74 2.556(9) 170.8 6
O7 H7A O15 0.82 1.72 2.532(8) 167.7 6_565
