#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:30:56 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179064 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/26/4302618.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_4302618
loop_
_publ_author_name
'Liang Zhao'
'Thomas C. W. Mak'
_publ_section_title
;
Assembly of Silver(I) Two- and Three-Dimensional Coordination Networks with
Complementary Tridentate Heteroaryl Ethynide Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6480
_journal_page_last               6489
_journal_paper_doi               10.1021/ic900346p
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C21 H14 Ag6 F15 N3 O14'
_chemical_formula_weight         1464.57
_chemical_name_common            ((2-AgCC)-Pyraz)(5AgCF3CO2)(Me3NCH2CO2)(2H2O)
_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                97.352(4)
_cell_angle_beta                 105.052(4)
_cell_angle_gamma                107.880(4)
_cell_formula_units_Z            2
_cell_length_a                   12.193(3)
_cell_length_b                   12.464(3)
_cell_length_c                   13.515(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1838.8(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_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  0.0231
_diffrn_reflns_av_sigmaI/netI    0.0381
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13413
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    3.273
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.669758
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Light-yellow
_exptl_crystal_density_diffrn    2.645
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1380
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.24
_refine_diff_density_max         1.266
_refine_diff_density_min         -0.950
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     614
_refine_ls_number_reflns         8948
_refine_ls_number_restraints     33
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0466
_refine_ls_R_factor_gt           0.0341
_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)+(0.0401P)²+2.3295P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0828
_refine_ls_wR_factor_ref         0.0910
_reflns_number_gt                7162
_reflns_number_total             8948
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic900346p_si_002_5.cif
_cod_data_source_block           Complex5
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4302618
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.13160(3) -0.09503(3) 0.43353(3) 0.04903(10) Uani 1 1 d . . .
Ag2 Ag 0.12715(3) 0.15806(3) 0.47409(3) 0.04679(10) Uani 1 1 d . . .
Ag3 Ag 0.31902(3) 0.41222(3) 0.56074(3) 0.03594(9) Uani 1 1 d . . .
Ag4 Ag 0.38348(3) 0.21822(3) 0.62434(3) 0.04072(9) Uani 1 1 d . . .
Ag5 Ag 0.54200(4) 0.46911(3) 0.73042(3) 0.04477(10) Uani 1 1 d . . .
Ag6 Ag 0.38122(3) 0.32801(3) 0.37319(3) 0.04340(9) Uani 1 1 d . . .
N1 N 0.8024(3) 0.2439(3) 0.5167(3) 0.0394(8) Uani 1 1 d . . .
N2 N 0.7181(3) 0.4162(3) 0.4530(3) 0.0331(7) Uani 1 1 d . . .
C1 C 0.4762(4) 0.3635(3) 0.5609(3) 0.0320(8) Uani 1 1 d . . .
C2 C 0.5576(3) 0.3560(3) 0.5275(3) 0.0289(8) Uani 1 1 d . . .
C3 C 0.6630(3) 0.3434(3) 0.5048(3) 0.0286(8) Uani 1 1 d . . .
C4 C 0.7062(4) 0.2579(3) 0.5369(3) 0.0340(9) Uani 1 1 d . . .
H4A H 0.6665 0.2095 0.5736 0.041 Uiso 1 1 calc R . .
C5 C 0.8566(4) 0.3157(4) 0.4635(4) 0.0413(10) Uani 1 1 d . . .
H5A H 0.9235 0.3077 0.4468 0.050 Uiso 1 1 calc R . .
C6 C 0.8143(4) 0.4015(4) 0.4333(4) 0.0410(10) Uani 1 1 d . . .
H6A H 0.8549 0.4508 0.3977 0.049 Uiso 1 1 calc R . .
O1 O 0.0926(4) -0.0467(3) 0.2772(3) 0.0573(10) Uani 1 1 d . . .
O2 O 0.2072(3) 0.1390(3) 0.3417(2) 0.0422(7) Uani 1 1 d . . .
C7 C 0.1505(4) 0.0507(4) 0.2703(3) 0.0363(9) Uani 1 1 d . . .
C8 C 0.1491(5) 0.0622(4) 0.1579(4) 0.0569(14) Uani 1 1 d D . .
F11 F 0.1200(7) 0.1487(4) 0.1348(4) 0.158(3) Uani 1 1 d D . .
F12 F 0.2551(4) 0.0769(6) 0.1470(4) 0.148(3) Uani 1 1 d D . .
F13 F 0.0759(4) -0.0280(4) 0.0858(3) 0.0933(13) Uani 1 1 d D . .
O3 O 0.4739(3) 0.3829(3) 0.1675(3) 0.0508(8) Uani 1 1 d . . .
O4 O 0.4822(3) 0.2577(3) 0.2730(3) 0.0497(8) Uani 1 1 d . . .
C9 C 0.4917(4) 0.2967(4) 0.1947(4) 0.0395(10) Uani 1 1 d . . .
C10 C 0.5378(6) 0.2280(5) 0.1208(4) 0.0598(15) Uani 1 1 d D . .
F21 F 0.5121(7) 0.2440(6) 0.0280(4) 0.168(3) Uani 1 1 d D . .
F22 F 0.6589(4) 0.2687(4) 0.1552(5) 0.1219(19) Uani 1 1 d D . .
F23 F 0.5095(5) 0.1195(3) 0.1232(4) 0.1033(15) Uani 1 1 d D . .
O5 O 0.1318(3) 0.3575(3) 0.3985(3) 0.0468(8) Uani 1 1 d . . .
O6 O 0.2417(3) 0.3996(3) 0.2888(3) 0.0499(8) Uani 1 1 d . . .
C11 C 0.1518(4) 0.3881(4) 0.3186(4) 0.0377(9) Uani 1 1 d . A .
C12 C 0.0533(4) 0.4222(4) 0.2487(4) 0.0503(12) Uani 1 1 d D . .
F31 F 0.018(3) 0.489(3) 0.2999(19) 0.112(14) Uani 0.262(15) 1 d PD A 1
F32 F 0.0852(19) 0.479(3) 0.184(2) 0.086(8) Uani 0.262(15) 1 d PD A 1
F33 F -0.043(3) 0.341(2) 0.195(4) 0.19(2) Uani 0.262(15) 1 d PD A 1
F31' F 0.0375(10) 0.3942(14) 0.1497(5) 0.110(4) Uani 0.738(15) 1 d PD A 2
F32' F -0.0532(6) 0.3754(10) 0.2596(8) 0.090(3) Uani 0.738(15) 1 d PD A 2
F33' F 0.0797(11) 0.5336(6) 0.2740(10) 0.143(6) Uani 0.738(15) 1 d PD A 2
O7 O 0.6358(4) 0.3735(3) 0.8393(3) 0.0578(9) Uani 1 1 d . . .
O8 O 0.5653(3) 0.1966(3) 0.7344(3) 0.0529(9) Uani 1 1 d . . .
C13 C 0.6364(4) 0.2759(4) 0.8088(4) 0.0419(10) Uani 1 1 d . A .
C14 C 0.7449(6) 0.2490(6) 0.8725(5) 0.0737(19) Uani 1 1 d D . .
F41 F 0.8417(19) 0.337(3) 0.896(3) 0.18(3) Uani 0.262(15) 1 d PD A 1
F42 F 0.752(2) 0.258(4) 0.9668(14) 0.108(13) Uani 0.262(15) 1 d PD A 1
F43 F 0.766(5) 0.166(4) 0.832(3) 0.23(4) Uani 0.262(15) 1 d PD A 1
F41' F 0.7074(10) 0.1562(13) 0.9096(13) 0.147(5) Uani 0.738(15) 1 d PD A 2
F42' F 0.8058(10) 0.2260(11) 0.8115(9) 0.114(4) Uani 0.738(15) 1 d PD A 2
F43' F 0.8244(12) 0.3306(12) 0.9506(10) 0.177(9) Uani 0.738(15) 1 d PD A 2
O9 O 0.1008(3) -0.0201(4) 0.5916(3) 0.0694(12) Uani 1 1 d . . .
O10 O 0.2668(4) 0.1168(3) 0.7068(3) 0.0624(10) Uani 1 1 d . . .
C15 C 0.1798(4) 0.0239(4) 0.6780(4) 0.0446(11) Uani 1 1 d . A .
C16 C 0.1724(5) -0.0402(5) 0.7668(6) 0.0728(19) Uani 1 1 d D . .
F51 F 0.277(3) -0.036(5) 0.827(3) 0.150(19) Uani 0.262(15) 1 d PD A 1
F52 F 0.151(3) 0.023(3) 0.841(2) 0.089(10) Uani 0.262(15) 1 d PD A 1
F53 F 0.097(4) -0.144(3) 0.751(4) 0.19(2) Uani 0.262(15) 1 d PD A 1
F51' F 0.0648(7) -0.1222(8) 0.7402(11) 0.104(4) Uani 0.738(15) 1 d PD A 2
F52' F 0.2512(11) -0.0928(11) 0.7738(14) 0.150(7) Uani 0.738(15) 1 d PD A 2
F53' F 0.1914(16) 0.0240(13) 0.8561(10) 0.143(7) Uani 0.738(15) 1 d PD A 2
N3 N 0.2006(3) 0.3600(3) 0.8932(3) 0.0388(8) Uani 1 1 d . . .
O11 O 0.2351(3) 0.3996(3) 0.6970(3) 0.0554(9) Uani 1 1 d . . .
O12 O 0.0788(3) 0.2407(3) 0.6075(2) 0.0502(8) Uani 1 1 d . . .
C17 C 0.1479(4) 0.3142(4) 0.6906(3) 0.0336(9) Uani 1 1 d . . .
C18 C 0.1123(4) 0.2919(4) 0.7876(3) 0.0415(10) Uani 1 1 d . . .
H18A H 0.0370 0.3058 0.7810 0.050 Uiso 1 1 calc R . .
H18B H 0.0952 0.2105 0.7870 0.050 Uiso 1 1 calc R . .
C19 C 0.1525(7) 0.3150(7) 0.9760(5) 0.098(3) Uani 1 1 d . . .
H19A H 0.0758 0.3242 0.9692 0.147 Uiso 1 1 calc R . .
H19B H 0.2089 0.3572 1.0441 0.147 Uiso 1 1 calc R . .
H19C H 0.1419 0.2344 0.9682 0.147 Uiso 1 1 calc R . .
C20 C 0.3217(6) 0.3481(7) 0.9057(5) 0.080(2) Uani 1 1 d . . .
H20A H 0.3774 0.3926 0.9733 0.121 Uiso 1 1 calc R . .
H20B H 0.3523 0.3759 0.8516 0.121 Uiso 1 1 calc R . .
H20C H 0.3130 0.2682 0.9002 0.121 Uiso 1 1 calc R . .
C21 C 0.2151(8) 0.4836(5) 0.9074(5) 0.088(2) Uani 1 1 d . . .
H21A H 0.1381 0.4915 0.9023 0.132 Uiso 1 1 calc R . .
H21B H 0.2445 0.5143 0.8538 0.132 Uiso 1 1 calc R . .
H21C H 0.2721 0.5253 0.9754 0.132 Uiso 1 1 calc R . .
O1W O 0.3638(3) 0.0326(3) 0.5087(3) 0.0470(8) Uani 1 1 d . . .
O2W O 0.5271(3) -0.0403(3) 0.6533(3) 0.0548(9) 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
_geom_angle_publ_flag
O1 Ag1 N1 129.81(14) . 2_656 ?
O1 Ag1 O9 129.73(16) . . ?
N1 Ag1 O9 100.26(16) 2_656 . ?
O1 Ag1 O12 94.24(12) . 2_556 ?
N1 Ag1 O12 85.08(13) 2_656 2_556 ?
O9 Ag1 O12 84.82(12) . 2_556 ?
O1 Ag1 Ag2 72.85(10) . . ?
N1 Ag1 Ag2 153.01(10) 2_656 . ?
O9 Ag1 Ag2 60.79(12) . . ?
O12 Ag1 Ag2 110.13(9) 2_556 . ?
O12 Ag2 O2 160.58(12) . . ?
O12 Ag2 Ag4 88.79(9) . . ?
O2 Ag2 Ag4 86.58(9) . . ?
O12 Ag2 Ag1 125.79(10) . . ?
O2 Ag2 Ag1 72.45(8) . . ?
Ag4 Ag2 Ag1 84.072(16) . . ?
O12 Ag2 Ag3 73.49(9) . . ?
O2 Ag2 Ag3 88.33(8) . . ?
Ag4 Ag2 Ag3 56.160(14) . . ?
Ag1 Ag2 Ag3 137.09(2) . . ?
C1 Ag3 O11 122.58(15) . . ?
C1 Ag3 N2 132.30(13) . 2_666 ?
O11 Ag3 N2 89.00(13) . 2_666 ?
C1 Ag3 O5 123.36(13) . . ?
O11 Ag3 O5 102.55(13) . . ?
N2 Ag3 O5 74.48(12) 2_666 . ?
C1 Ag3 Ag5 51.55(11) . . ?
O11 Ag3 Ag5 82.53(10) . . ?
N2 Ag3 Ag5 107.57(9) 2_666 . ?
O5 Ag3 Ag5 174.65(8) . . ?
C1 Ag3 Ag4 48.99(10) . . ?
O11 Ag3 Ag4 82.60(10) . . ?
N2 Ag3 Ag4 168.20(9) 2_666 . ?
O5 Ag3 Ag4 115.37(8) . . ?
Ag5 Ag3 Ag4 63.237(15) . . ?
C1 Ag3 Ag6 53.08(11) . . ?
O11 Ag3 Ag6 157.38(9) . . ?
N2 Ag3 Ag6 109.73(9) 2_666 . ?
O5 Ag3 Ag6 71.85(8) . . ?
Ag5 Ag3 Ag6 102.81(2) . . ?
Ag4 Ag3 Ag6 80.431(18) . . ?
C1 Ag3 Ag2 95.35(11) . . ?
O11 Ag3 Ag2 80.93(9) . . ?
N2 Ag3 Ag2 126.70(9) 2_666 . ?
O5 Ag3 Ag2 57.47(8) . . ?
Ag5 Ag3 Ag2 122.453(17) . . ?
Ag4 Ag3 Ag2 60.17(2) . . ?
Ag6 Ag3 Ag2 77.687(17) . . ?
C1 Ag4 O10 160.77(15) . . ?
C1 Ag4 O8 97.54(14) . . ?
O10 Ag4 O8 92.40(15) . . ?
C1 Ag4 O1W 107.30(13) . . ?
O10 Ag4 O1W 90.11(13) . . ?
O8 Ag4 O1W 83.47(11) . . ?
C1 Ag4 Ag3 47.77(10) . . ?
O10 Ag4 Ag3 114.73(11) . . ?
O8 Ag4 Ag3 135.32(8) . . ?
O1W Ag4 Ag3 128.33(8) . . ?
C1 Ag4 Ag5 48.54(11) . . ?
O10 Ag4 Ag5 118.52(10) . . ?
O8 Ag4 Ag5 78.45(8) . . ?
O1W Ag4 Ag5 146.40(8) . . ?
Ag3 Ag4 Ag5 57.73(2) . . ?
C1 Ag4 Ag2 97.32(11) . . ?
O10 Ag4 Ag2 77.04(11) . . ?
O8 Ag4 Ag2 160.95(8) . . ?
O1W Ag4 Ag2 80.78(8) . . ?
Ag3 Ag4 Ag2 63.669(15) . . ?
Ag5 Ag4 Ag2 120.483(17) . . ?
O3 Ag5 C1 142.98(14) 2_666 . ?
O3 Ag5 O7 107.81(13) 2_666 . ?
C1 Ag5 O7 108.39(13) . . ?
O3 Ag5 Ag3 98.17(10) 2_666 . ?
C1 Ag5 Ag3 48.19(10) . . ?
O7 Ag5 Ag3 137.29(10) . . ?
O3 Ag5 Ag4 136.36(10) 2_666 . ?
C1 Ag5 Ag4 46.62(10) . . ?
O7 Ag5 Ag4 79.05(10) . . ?
Ag3 Ag5 Ag4 59.035(14) . . ?
O3 Ag5 Ag6 76.11(9) 2_666 2_666 ?
C1 Ag5 Ag6 82.61(10) . 2_666 ?
O7 Ag5 Ag6 137.30(11) . 2_666 ?
Ag3 Ag5 Ag6 81.061(18) . 2_666 ?
Ag4 Ag5 Ag6 128.19(2) . 2_666 ?
O6 Ag6 O4 116.34(13) . . ?
O6 Ag6 C1 127.10(13) . . ?
O4 Ag6 C1 114.24(13) . . ?
O6 Ag6 C2 147.81(13) . . ?
O4 Ag6 C2 86.51(13) . . ?
C1 Ag6 C2 28.71(13) . . ?
O6 Ag6 O2 87.69(12) . . ?
O4 Ag6 O2 97.05(12) . . ?
C1 Ag6 O2 100.70(12) . . ?
C2 Ag6 O2 113.00(11) . . ?
O6 Ag6 Ag3 82.82(10) . . ?
O4 Ag6 Ag3 160.37(9) . . ?
C1 Ag6 Ag3 46.15(9) . . ?
C2 Ag6 Ag3 74.18(9) . . ?
O2 Ag6 Ag3 87.50(7) . . ?
O6 Ag6 Ag5 59.69(8) . 2_666 ?
O4 Ag6 Ag5 80.35(9) . 2_666 ?
C1 Ag6 Ag5 116.59(10) . 2_666 ?
C2 Ag6 Ag5 106.38(9) . 2_666 ?
O2 Ag6 Ag5 140.32(7) . 2_666 ?
Ag3 Ag6 Ag5 108.13(2) . 2_666 ?
C4 N1 C5 117.0(4) . . ?
C4 N1 Ag1 120.9(3) . 2_656 ?
C5 N1 Ag1 122.0(3) . 2_656 ?
C6 N2 C3 116.5(3) . . ?
C6 N2 Ag3 120.5(3) . 2_666 ?
C3 N2 Ag3 121.0(3) . 2_666 ?
C2 C1 Ag3 154.3(3) . . ?
C2 C1 Ag4 118.0(3) . . ?
Ag3 C1 Ag4 83.23(14) . . ?
C2 C1 Ag5 114.0(3) . . ?
Ag3 C1 Ag5 80.26(13) . . ?
Ag4 C1 Ag5 84.84(14) . . ?
C2 C1 Ag6 78.2(3) . . ?
Ag3 C1 Ag6 80.77(13) . . ?
Ag4 C1 Ag6 110.57(17) . . ?
Ag5 C1 Ag6 153.84(19) . . ?
C1 C2 C3 170.4(4) . . ?
C1 C2 Ag6 73.1(3) . . ?
C3 C2 Ag6 116.0(3) . . ?
N2 C3 C4 121.3(3) . . ?
N2 C3 C2 118.3(3) . . ?
C4 C3 C2 120.4(3) . . ?
N1 C4 C3 121.8(4) . . ?
N1 C5 C6 120.8(4) . . ?
N2 C6 C5 122.6(4) . . ?
C7 O1 Ag1 119.3(3) . . ?
C7 O2 Ag2 116.0(3) . . ?
C7 O2 Ag6 136.9(3) . . ?
Ag2 O2 Ag6 106.46(12) . . ?
O1 C7 O2 128.1(4) . . ?
O1 C7 C8 114.8(4) . . ?
O2 C7 C8 117.1(4) . . ?
F11 C8 F13 107.3(5) . . ?
F11 C8 F12 107.6(6) . . ?
F13 C8 F12 104.8(5) . . ?
F11 C8 C7 111.6(5) . . ?
F13 C8 C7 114.0(4) . . ?
F12 C8 C7 111.1(5) . . ?
C9 O3 Ag5 126.6(3) . 2_666 ?
C9 O4 Ag6 118.0(3) . . ?
O4 C9 O3 130.7(4) . . ?
O4 C9 C10 114.0(4) . . ?
O3 C9 C10 115.3(4) . . ?
F21 C10 F23 112.9(6) . . ?
F21 C10 F22 103.5(6) . . ?
F23 C10 F22 103.6(5) . . ?
F21 C10 C9 113.3(4) . . ?
F23 C10 C9 113.7(4) . . ?
F22 C10 C9 108.7(5) . . ?
C11 O5 Ag3 115.6(3) . . ?
C11 O6 Ag6 117.2(3) . . ?
O6 C11 O5 129.9(4) . . ?
O6 C11 C12 114.5(4) . . ?
O5 C11 C12 115.6(4) . . ?
F33 C12 F31 104(3) . . ?
F33 C12 F32 104.9(19) . . ?
F31 C12 F32 101.9(16) . . ?
F33 C12 F31' 64(3) . . ?
F31 C12 F31' 131.4(13) . . ?
F32 C12 F31' 46.9(12) . . ?
F33 C12 F33' 132.3(17) . . ?
F31 C12 F33' 44.3(14) . . ?
F32 C12 F33' 63.2(13) . . ?
F31' C12 F33' 107.5(7) . . ?
F33 C12 F32' 45(3) . . ?
F31 C12 F32' 64.0(16) . . ?
F32 C12 F32' 131.2(10) . . ?
F31' C12 F32' 105.7(6) . . ?
F33' C12 F32' 105.9(7) . . ?
F33 C12 C11 116.0(12) . . ?
F31 C12 C11 113.1(12) . . ?
F32 C12 C11 115.4(9) . . ?
F31' C12 C11 114.2(5) . . ?
F33' C12 C11 110.2(5) . . ?
F32' C12 C11 112.9(5) . . ?
C13 O7 Ag5 123.4(3) . . ?
C13 O8 Ag4 119.7(3) . . ?
O8 C13 O7 130.7(5) . . ?
O8 C13 C14 113.9(4) . . ?
O7 C13 C14 115.4(5) . . ?
F43 C14 F42 116(3) . . ?
F43 C14 F41 107(3) . . ?
F42 C14 F41 91(2) . . ?
F43 C14 F43' 123.3(18) . . ?
F42 C14 F43' 53.5(13) . . ?
F41 C14 F43' 37.6(17) . . ?
F43 C14 F42' 40(3) . . ?
F42 C14 F42' 138.1(12) . . ?
F41 C14 F42' 73(2) . . ?
F43' C14 F42' 105.1(8) . . ?
F43 C14 F41' 67(3) . . ?
F42 C14 F41' 59.3(15) . . ?
F41 C14 F41' 136.5(15) . . ?
F43' C14 F41' 107.5(8) . . ?
F42' C14 F41' 106.8(8) . . ?
F43 C14 C13 117.6(14) . . ?
F42 C14 C13 112.2(11) . . ?
F41 C14 C13 109.9(16) . . ?
F43' C14 C13 116.6(6) . . ?
F42' C14 C13 109.7(7) . . ?
F41' C14 C13 110.7(6) . . ?
C15 O9 Ag1 125.8(3) . . ?
C15 O10 Ag4 133.3(3) . . ?
O9 C15 O10 129.5(5) . . ?
O9 C15 C16 118.1(5) . . ?
O10 C15 C16 112.4(5) . . ?
F53' C16 F53 114(3) . . ?
F53' C16 F51 74(2) . . ?
F53 C16 F51 107(3) . . ?
F53' C16 F52' 110.6(9) . . ?
F53 C16 F52' 83(2) . . ?
F51 C16 F52' 38(2) . . ?
F53' C16 F51' 108.3(10) . . ?
F53 C16 F51' 24(2) . . ?
F51 C16 F51' 129(2) . . ?
F52' C16 F51' 106.3(8) . . ?
F53' C16 F52 21(2) . . ?
F53 C16 F52 106(3) . . ?
F51 C16 F52 95(2) . . ?
F52' C16 F52 130.6(18) . . ?
F51' C16 F52 93(2) . . ?
F53' C16 C15 114.8(9) . . ?
F53 C16 C15 122(2) . . ?
F51 C16 C15 115(2) . . ?
F52' C16 C15 106.9(9) . . ?
F51' C16 C15 109.6(7) . . ?
F52 C16 C15 108.2(16) . . ?
C21 N3 C19 107.9(5) . . ?
C21 N3 C20 109.5(5) . . ?
C19 N3 C20 109.3(5) . . ?
C21 N3 C18 111.1(4) . . ?
C19 N3 C18 108.6(4) . . ?
C20 N3 C18 110.4(4) . . ?
C17 O11 Ag3 120.4(3) . . ?
C17 O12 Ag2 129.0(3) . . ?
C17 O12 Ag1 130.7(3) . 2_556 ?
Ag2 O12 Ag1 97.41(12) . 2_556 ?
O11 C17 O12 125.8(4) . . ?
O11 C17 C18 120.3(4) . . ?
O12 C17 C18 113.9(4) . . ?
N3 C18 C17 118.2(4) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 O1 2.243(3) . ?
Ag1 N1 2.345(4) 2_656 ?
Ag1 O9 2.387(4) . ?
Ag1 O12 2.515(3) 2_556 ?
Ag1 Ag2 3.1516(10) . ?
Ag2 O12 2.260(3) . ?
Ag2 O2 2.269(3) . ?
Ag2 Ag4 3.0543(8) . ?
Ag2 Ag3 3.1555(8) . ?
Ag3 C1 2.181(4) . ?
Ag3 O11 2.327(3) . ?
Ag3 N2 2.338(3) 2_666 ?
Ag3 O5 2.558(3) . ?
Ag3 Ag5 2.8836(8) . ?
Ag3 Ag4 2.9244(7) . ?
Ag3 Ag6 2.9846(7) . ?
Ag4 C1 2.222(4) . ?
Ag4 O10 2.223(4) . ?
Ag4 O8 2.441(3) . ?
Ag4 O1W 2.528(3) . ?
Ag4 Ag5 3.0451(8) . ?
Ag5 O3 2.248(3) 2_666 ?
Ag5 C1 2.291(4) . ?
Ag5 O7 2.303(4) . ?
Ag5 Ag6 3.0603(8) 2_666 ?
Ag6 O6 2.275(3) . ?
Ag6 O4 2.311(3) . ?
Ag6 C1 2.418(4) . ?
Ag6 C2 2.474(4) . ?
Ag6 O2 2.537(3) . ?
Ag6 Ag5 3.0603(8) 2_666 ?
N1 C4 1.327(5) . ?
N1 C5 1.343(6) . ?
N1 Ag1 2.345(4) 2_656 ?
N2 C6 1.328(5) . ?
N2 C3 1.341(5) . ?
N2 Ag3 2.338(3) 2_666 ?
C1 C2 1.214(5) . ?
C2 C3 1.445(5) . ?
C3 C4 1.394(5) . ?
C5 C6 1.385(6) . ?
O1 C7 1.232(5) . ?
O2 C7 1.240(5) . ?
C7 C8 1.541(7) . ?
C8 F11 1.284(6) . ?
C8 F13 1.289(6) . ?
C8 F12 1.298(7) . ?
O3 C9 1.240(6) . ?
O3 Ag5 2.248(3) 2_666 ?
O4 C9 1.238(6) . ?
C9 C10 1.554(7) . ?
C10 F21 1.269(6) . ?
C10 F23 1.295(6) . ?
C10 F22 1.333(7) . ?
O5 C11 1.248(6) . ?
O6 C11 1.238(5) . ?
C11 C12 1.531(6) . ?
C12 F33 1.249(15) . ?
C12 F31 1.260(15) . ?
C12 F32 1.261(14) . ?
C12 F31' 1.287(7) . ?
C12 F33' 1.302(8) . ?
C12 F32' 1.305(8) . ?
O7 C13 1.236(6) . ?
O8 C13 1.227(6) . ?
C13 C14 1.536(7) . ?
C14 F43 1.239(17) . ?
C14 F42 1.242(16) . ?
C14 F41 1.271(19) . ?
C14 F43' 1.295(10) . ?
C14 F42' 1.305(10) . ?
C14 F41' 1.319(10) . ?
O9 C15 1.233(6) . ?
O10 C15 1.239(6) . ?
C15 C16 1.530(8) . ?
C16 F53' 1.283(12) . ?
C16 F53 1.29(2) . ?
C16 F51 1.30(2) . ?
C16 F52' 1.310(11) . ?
C16 F51' 1.317(9) . ?
C16 F52 1.32(2) . ?
N3 C21 1.476(7) . ?
N3 C19 1.487(6) . ?
N3 C20 1.498(7) . ?
N3 C18 1.499(5) . ?
O11 C17 1.227(5) . ?
O12 C17 1.258(5) . ?
O12 Ag1 2.515(3) 2_556 ?
C17 C18 1.516(6) . ?
