#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/26/4302619.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_4302619
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 H3 Ag8 F18 N O15.5'
_chemical_formula_weight         1722.20
_chemical_name_common            ([3,5-(AgCC)2-C6H3N])(6AgCF3CO2)(3.5H2O)
_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                99.149(2)
_cell_angle_beta                 103.438(2)
_cell_angle_gamma                104.697(2)
_cell_formula_units_Z            2
_cell_length_a                   10.7252(11)
_cell_length_b                   11.5185(12)
_cell_length_c                   17.7480(18)
_cell_measurement_temperature    293(2)
_cell_volume                     2006.6(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_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  0.0251
_diffrn_reflns_av_sigmaI/netI    0.0414
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            14158
_diffrn_reflns_theta_full        28.30
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         1.21
_exptl_absorpt_coefficient_mu    3.964
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.665481
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    2.850
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1596
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.27
_refine_diff_density_max         1.575
_refine_diff_density_min         -1.152
_refine_diff_density_rms         0.159
_refine_ls_extinction_coef       0.00214(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     758
_refine_ls_number_reflns         9795
_refine_ls_number_restraints     66
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0513
_refine_ls_R_factor_gt           0.0407
_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)+(0.0625P)²+4.0379P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1096
_refine_ls_wR_factor_ref         0.1183
_reflns_number_gt                7913
_reflns_number_total             9795
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic900346p_si_002_6.cif
_cod_data_source_block           Complex6
_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_original_formula_sum        'C21 H3 Ag8 F18 N O15.50'
_cod_database_code               4302619
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 0.16853(5) 0.67522(5) 0.10130(3) 0.05325(14) Uani 1 1 d . . .
Ag2 Ag 0.05072(4) 0.41016(4) 0.10326(2) 0.04215(12) Uani 1 1 d . . .
Ag3 Ag 0.06308(4) 0.59599(4) 0.23247(2) 0.03919(11) Uani 1 1 d . . .
Ag4 Ag 0.21110(5) 0.41362(5) 0.26674(3) 0.05063(13) Uani 1 1 d . . .
Ag5 Ag 0.81087(6) 0.47481(5) 0.40340(3) 0.05757(15) Uani 1 1 d . . .
Ag6 Ag 0.92072(4) 0.35816(4) 0.26222(3) 0.04221(12) Uani 1 1 d . . .
Ag7 Ag 1.10089(4) 0.55017(5) 0.39164(2) 0.04626(13) Uani 1 1 d . . .
Ag8 Ag 0.73879(7) 1.03846(4) 0.26579(4) 0.06829(17) Uani 1 1 d . . .
N1 N 0.6754(4) 0.8384(4) 0.2587(3) 0.0390(10) Uani 1 1 d . A .
C1 C 0.2309(5) 0.5429(5) 0.1838(3) 0.0342(10) Uani 1 1 d . . .
C2 C 0.3508(5) 0.5921(5) 0.2038(3) 0.0325(10) Uani 1 1 d . . .
C3 C 0.4941(5) 0.6514(5) 0.2287(3) 0.0309(9) Uani 1 1 d . A .
C4 C 0.5432(5) 0.7779(5) 0.2350(3) 0.0362(10) Uani 1 1 d . . .
H4A H 0.4824 0.8217 0.2223 0.043 Uiso 1 1 calc R A .
C5 C 0.7636(5) 0.7762(4) 0.2776(3) 0.0339(10) Uani 1 1 d . . .
H5A H 0.8551 0.8183 0.2939 0.041 Uiso 1 1 calc R A .
C6 C 0.7217(5) 0.6500(5) 0.2736(3) 0.0313(9) Uani 1 1 d . A .
C7 C 0.5850(5) 0.5865(4) 0.2476(3) 0.0326(10) Uani 1 1 d . . .
H7A H 0.5550 0.5018 0.2429 0.039 Uiso 1 1 calc R A .
C8 C 0.8210(5) 0.5868(5) 0.2946(3) 0.0314(9) Uani 1 1 d . . .
C9 C 0.9122(5) 0.5427(5) 0.3079(3) 0.0336(10) Uani 1 1 d . . .
O1 O -0.2556(5) 0.2940(6) 0.1356(3) 0.0697(14) Uani 1 1 d . . .
O2 O -0.1653(4) 0.3148(4) 0.0360(2) 0.0506(10) Uani 1 1 d . . .
C10 C -0.2581(5) 0.2798(5) 0.0658(3) 0.0419(12) Uani 1 1 d . A .
C11 C -0.3925(6) 0.2032(6) 0.0055(4) 0.0588(17) Uani 1 1 d D . .
F11 F -0.395(2) 0.0898(14) -0.0107(18) 0.26(2) Uani 0.454(6) 1 d PD A 1
F12 F -0.4891(16) 0.207(3) 0.0338(13) 0.139(13) Uani 0.454(6) 1 d PD A 1
F13 F -0.410(2) 0.237(3) -0.0601(11) 0.156(15) Uani 0.454(6) 1 d PD A 1
F11' F -0.3866(18) 0.0895(14) -0.0233(9) 0.109(5) Uiso 0.546(6) 1 d PD A 2
F12' F -0.4961(14) 0.1804(14) 0.0364(10) 0.084(5) Uani 0.546(6) 1 d PD A 2
F13' F -0.4270(19) 0.2520(17) -0.0562(9) 0.073(4) Uani 0.546(6) 1 d PD A 2
O3 O 0.0890(7) 0.2083(5) 0.1647(5) 0.096(2) Uani 1 1 d . A .
O4 O -0.0735(5) 0.1676(4) 0.2211(3) 0.0645(13) Uani 1 1 d . . .
C12 C -0.0102(8) 0.1410(6) 0.1750(5) 0.0621(18) Uani 1 1 d . . .
C13 C -0.0604(12) 0.0050(9) 0.1288(8) 0.099(4) Uani 1 1 d . A .
F21 F -0.1847(14) -0.0179(11) 0.0796(11) 0.288(11) Uani 1 1 d . . .
F22 F -0.0519(19) -0.0693(10) 0.1775(10) 0.156(6) Uani 0.70 1 d P . .
F22' F -0.146(3) -0.0634(16) 0.149(2) 0.115(12) Uani 0.30 1 d P A .
F23 F 0.0103(9) -0.0282(6) 0.0886(6) 0.161(4) Uani 1 1 d . . .
O5 O 0.8351(6) 0.2232(4) 0.3615(3) 0.0706(15) Uani 1 1 d . . .
O6 O 0.9182(6) 0.3543(4) 0.4779(2) 0.0612(13) Uani 1 1 d . . .
C14 C 0.8896(7) 0.2513(5) 0.4333(3) 0.0455(13) Uani 1 1 d . A .
C15 C 0.9259(8) 0.1491(7) 0.4706(4) 0.074(2) Uani 1 1 d D . .
F31 F 0.829(3) 0.0488(19) 0.4518(15) 0.136(14) Uani 0.454(6) 1 d PD A 1
F32 F 1.019(3) 0.125(3) 0.441(2) 0.163(16) Uani 0.454(6) 1 d PD A 1
F33 F 0.973(3) 0.182(3) 0.5463(12) 0.115(11) Uani 0.454(6) 1 d PD A 1
F31' F 0.817(3) 0.072(2) 0.4711(19) 0.199(16) Uani 0.546(6) 1 d PD A 2
F32' F 0.982(3) 0.085(3) 0.4314(12) 0.148(13) Uani 0.546(6) 1 d PD A 2
F33' F 1.002(3) 0.185(3) 0.5413(12) 0.140(12) Uani 0.546(6) 1 d PD A 2
O7 O -0.1113(5) 0.6412(6) 0.1448(3) 0.0704(15) Uani 1 1 d . . .
O8 O -0.0560(4) 0.6323(5) 0.0316(3) 0.0615(13) Uani 1 1 d . . .
C16 C -0.1337(6) 0.6348(6) 0.0737(3) 0.0422(12) Uani 1 1 d . A .
C17 C -0.2765(7) 0.6293(6) 0.0293(4) 0.065(2) Uani 1 1 d D . .
F41 F -0.346(2) 0.5312(17) -0.0213(12) 0.111(9) Uani 0.454(6) 1 d PD A 1
F42 F -0.272(3) 0.709(2) -0.0130(14) 0.149(12) Uani 0.454(6) 1 d PD A 1
F43 F -0.354(3) 0.650(2) 0.0685(14) 0.145(13) Uani 0.454(6) 1 d PD A 1
F41' F -0.3298(18) 0.6865(18) 0.0776(8) 0.086(5) Uani 0.546(6) 1 d PD A 2
F42' F -0.347(2) 0.5115(10) 0.0070(14) 0.174(13) Uani 0.546(6) 1 d PD A 2
F43' F -0.283(2) 0.677(2) -0.0337(9) 0.134(10) Uani 0.546(6) 1 d PD A 2
O9 O 0.2949(6) 0.3571(5) 0.3750(3) 0.0712(15) Uani 1 1 d . A .
O10 O 0.2256(4) 0.4547(5) 0.4682(2) 0.0529(11) Uani 1 1 d . . .
C18 C 0.2852(6) 0.3862(6) 0.4428(4) 0.0470(13) Uani 1 1 d . . .
C19 C 0.3655(7) 0.3355(6) 0.5058(4) 0.0599(18) Uani 1 1 d D A .
F51 F 0.296(2) 0.284(3) 0.5475(13) 0.114(8) Uani 0.454(6) 1 d PD A 1
F52 F 0.463(2) 0.425(2) 0.5553(14) 0.138(14) Uani 0.454(6) 1 d PD A 1
F53 F 0.415(3) 0.259(2) 0.4754(17) 0.150(15) Uani 0.454(6) 1 d PD A 1
F51' F 0.462(2) 0.305(3) 0.4866(13) 0.135(10) Uani 0.546(6) 1 d PD A 2
F52' F 0.291(3) 0.240(2) 0.5159(19) 0.24(2) Uani 0.546(6) 1 d PD A 2
F53' F 0.420(3) 0.4101(18) 0.5727(8) 0.128(11) Uani 0.546(6) 1 d PD A 2
O11 O 0.2892(10) 0.7253(10) 0.4170(7) 0.058(4) Uani 0.454(6) 1 d PD . 1
O12 O 0.207(2) 0.798(2) 0.3164(11) 0.28(3) Uani 0.454(6) 1 d PD . 1
C20 C 0.2901(19) 0.8103(14) 0.3816(11) 0.23(3) Uani 0.454(6) 1 d PD . 1
C21 C 0.409(2) 0.9307(18) 0.4071(9) 0.096(7) Uani 0.454(6) 1 d PD . 1
F61 F 0.5170(17) 0.9134(18) 0.3999(14) 0.191(11) Uani 0.454(6) 1 d PD . 1
F62 F 0.4359(16) 0.9807(15) 0.4796(8) 0.151(8) Uani 0.454(6) 1 d PD . 1
F63 F 0.394(2) 1.0143(14) 0.3709(12) 0.204(18) Uani 0.454(6) 1 d PD . 1
O11' O 0.2628(9) 0.8734(6) 0.1858(5) 0.053(2) Uani 0.546(6) 1 d PD . 2
O12' O 0.1923(17) 0.7996(13) 0.2961(6) 0.068(4) Uani 0.546(6) 1 d PD . 2
C20' C 0.2264(15) 0.8760(11) 0.2509(9) 0.118(10) Uani 0.546(6) 1 d PD . 2
C21' C 0.286(2) 1.0040(18) 0.3191(12) 0.104(7) Uani 0.546(6) 1 d PD . 2
F61' F 0.404(2) 1.0560(19) 0.3204(13) 0.33(3) Uani 0.546(6) 1 d PD . 2
F62' F 0.284(2) 1.0094(13) 0.3892(9) 0.208(13) Uani 0.546(6) 1 d PD . 2
F63' F 0.220(3) 1.073(3) 0.2937(14) 0.227(10) Uiso 0.546(6) 1 d PD . 2
O1W O 0.5862(5) 1.1512(6) 0.2124(3) 0.0702(14) Uani 1 1 d . . .
O2W O 0.3085(8) 1.0942(8) 0.1289(5) 0.115(3) Uani 1 1 d . . .
O3W O 0.5681(14) 0.3463(12) 0.3334(8) 0.070(3) Uani 0.60 1 d P . .
O3W' O 0.5989(18) 0.3132(18) 0.3673(14) 0.086(6) Uani 0.40 1 d P A .
O4W O 0.3809(19) 0.3121(17) 0.2328(16) 0.159(9) Uani 0.50 1 d P A .
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
O8 Ag1 O11' 113.8(3) . . ?
O8 Ag1 C1 119.06(18) . . ?
O11' Ag1 C1 103.9(2) . . ?
O8 Ag1 O2 74.04(14) . 2_565 ?
O11' Ag1 O2 110.3(3) . 2_565 ?
C1 Ag1 O2 133.58(17) . 2_565 ?
O8 Ag1 Ag3 85.24(11) . . ?
O11' Ag1 Ag3 86.9(3) . . ?
C1 Ag1 Ag3 50.13(12) . . ?
O2 Ag1 Ag3 157.00(9) 2_565 . ?
O8 Ag1 Ag2 77.22(15) . . ?
O11' Ag1 Ag2 141.7(2) . . ?
C1 Ag1 Ag2 45.35(12) . . ?
O2 Ag1 Ag2 108.06(11) 2_565 . ?
Ag3 Ag1 Ag2 56.431(14) . . ?
C1 Ag2 O2 161.90(19) . . ?
C1 Ag2 O8 114.10(18) . 2_565 ?
O2 Ag2 O8 76.89(15) . 2_565 ?
C1 Ag2 Ag3 53.91(14) . . ?
O2 Ag2 Ag3 108.63(12) . . ?
O8 Ag2 Ag3 144.74(14) 2_565 . ?
C1 Ag2 Ag4 48.74(13) . . ?
O2 Ag2 Ag4 131.42(11) . . ?
O8 Ag2 Ag4 140.29(11) 2_565 . ?
Ag3 Ag2 Ag4 61.695(16) . . ?
C1 Ag2 Ag1 51.97(13) . . ?
O2 Ag2 Ag1 118.32(12) . . ?
O8 Ag2 Ag1 84.90(14) 2_565 . ?
Ag3 Ag2 Ag1 61.461(17) . . ?
Ag4 Ag2 Ag1 98.928(18) . . ?
C1 Ag3 O12' 95.6(5) . . ?
C1 Ag3 C9 144.78(18) . 1_455 ?
O12' Ag3 C9 104.6(4) . 1_455 ?
C1 Ag3 O7 118.91(16) . . ?
O12' Ag3 O7 97.5(4) . . ?
C9 Ag3 O7 87.10(17) 1_455 . ?
C1 Ag3 O12 96.1(7) . . ?
O12' Ag3 O12 8.2(5) . . ?
C9 Ag3 O12 100.0(6) 1_455 . ?
O7 Ag3 O12 104.2(5) . . ?
C1 Ag3 Ag2 48.09(12) . . ?
O12' Ag3 Ag2 138.3(4) . . ?
C9 Ag3 Ag2 117.01(13) 1_455 . ?
O7 Ag3 Ag2 87.26(14) . . ?
O12 Ag3 Ag2 141.9(6) . . ?
C1 Ag3 Ag7 106.91(12) . 1_455 ?
O12' Ag3 Ag7 85.9(2) . 1_455 ?
C9 Ag3 Ag7 47.66(12) 1_455 1_455 ?
O7 Ag3 Ag7 133.33(11) . 1_455 ?
O12 Ag3 Ag7 77.9(5) . 1_455 ?
Ag2 Ag3 Ag7 120.06(2) . 1_455 ?
C1 Ag3 Ag6 101.35(13) . 1_455 ?
O12' Ag3 Ag6 142.9(3) . 1_455 ?
C9 Ag3 Ag6 46.65(13) 1_455 1_455 ?
O7 Ag3 Ag6 102.61(16) . 1_455 ?
O12 Ag3 Ag6 135.3(5) . 1_455 ?
Ag2 Ag3 Ag6 74.005(18) . 1_455 ?
Ag7 Ag3 Ag6 57.685(15) 1_455 1_455 ?
C1 Ag3 Ag1 51.50(12) . . ?
O12' Ag3 Ag1 79.7(3) . . ?
C9 Ag3 Ag1 159.92(12) 1_455 . ?
O7 Ag3 Ag1 72.85(12) . . ?
O12 Ag3 Ag1 86.4(5) . . ?
Ag2 Ag3 Ag1 62.108(17) . . ?
Ag7 Ag3 Ag1 151.99(2) 1_455 . ?
Ag6 Ag3 Ag1 135.94(2) 1_455 . ?
C1 Ag3 Ag4 48.29(12) . . ?
O12' Ag3 Ag4 112.7(4) . . ?
C9 Ag3 Ag4 96.84(12) 1_455 . ?
O7 Ag3 Ag4 147.22(15) . . ?
O12 Ag3 Ag4 107.1(5) . . ?
Ag2 Ag3 Ag4 61.903(17) . . ?
Ag7 Ag3 Ag4 64.173(15) 1_455 . ?
Ag6 Ag3 Ag4 60.305(17) 1_455 . ?
Ag1 Ag3 Ag4 99.466(18) . . ?
O9 Ag4 C1 150.2(2) . . ?
O9 Ag4 O4W 75.3(6) . . ?
C1 Ag4 O4W 95.8(5) . . ?
O9 Ag4 O3 103.4(2) . . ?
C1 Ag4 O3 99.9(2) . . ?
O4W Ag4 O3 70.2(5) . . ?
O9 Ag4 Ag3 134.13(13) . . ?
C1 Ag4 Ag3 50.56(13) . . ?
O4W Ag4 Ag3 146.2(5) . . ?
O3 Ag4 Ag3 109.19(18) . . ?
O9 Ag4 Ag6 101.50(17) . 1_455 ?
C1 Ag4 Ag6 102.57(12) . 1_455 ?
O4W Ag4 Ag6 142.1(4) . 1_455 ?
O3 Ag4 Ag6 74.07(14) . 1_455 ?
Ag3 Ag4 Ag6 59.499(15) . 1_455 ?
O9 Ag4 Ag2 162.78(16) . . ?
C1 Ag4 Ag2 45.74(13) . . ?
O4W Ag4 Ag2 100.5(6) . . ?
O3 Ag4 Ag2 59.90(18) . . ?
Ag3 Ag4 Ag2 56.402(15) . . ?
Ag6 Ag4 Ag2 71.311(16) 1_455 . ?
O9 Ag4 Ag7 77.97(13) . 1_455 ?
C1 Ag4 Ag7 102.03(14) . 1_455 ?
O4W Ag4 Ag7 151.0(6) . 1_455 ?
O3 Ag4 Ag7 127.71(13) . 1_455 ?
Ag3 Ag4 Ag7 56.656(15) . 1_455 ?
Ag6 Ag4 Ag7 55.081(15) 1_455 1_455 ?
Ag2 Ag4 Ag7 108.338(19) . 1_455 ?
C9 Ag5 O6 114.71(18) . . ?
C9 Ag5 O3W' 122.3(6) . . ?
O6 Ag5 O3W' 90.2(6) . . ?
C9 Ag5 O10 143.05(18) . 2_666 ?
O6 Ag5 O10 81.11(15) . 2_666 ?
O3W' Ag5 O10 89.0(5) . 2_666 ?
C9 Ag5 C8 28.64(16) . . ?
O6 Ag5 C8 143.34(17) . . ?
O3W' Ag5 C8 110.0(6) . . ?
O10 Ag5 C8 127.75(16) 2_666 . ?
C9 Ag5 O3W 108.7(3) . . ?
O6 Ag5 O3W 108.2(3) . . ?
O3W' Ag5 O3W 18.6(5) . . ?
O10 Ag5 O3W 96.1(3) 2_666 . ?
C8 Ag5 O3W 92.1(3) . . ?
C9 Ag5 Ag7 45.14(12) . . ?
O6 Ag5 Ag7 75.69(14) . . ?
O3W' Ag5 Ag7 146.6(5) . . ?
O10 Ag5 Ag7 117.66(11) 2_666 . ?
C8 Ag5 Ag7 70.77(11) . . ?
O3W Ag5 Ag7 146.0(3) . . ?
C9 Ag5 Ag6 42.15(13) . . ?
O6 Ag5 Ag6 84.42(11) . . ?
O3W' Ag5 Ag6 96.0(5) . . ?
O10 Ag5 Ag6 164.71(10) 2_666 . ?
C8 Ag5 Ag6 63.84(12) . . ?
O3W Ag5 Ag6 93.1(3) . . ?
Ag7 Ag5 Ag6 53.202(14) . . ?
C9 Ag6 O4 177.07(18) . 1_655 ?
C9 Ag6 O1 101.4(2) . 1_655 ?
O4 Ag6 O1 80.0(2) 1_655 1_655 ?
C9 Ag6 Ag7 49.58(13) . . ?
O4 Ag6 Ag7 129.57(15) 1_655 . ?
O1 Ag6 Ag7 149.17(15) 1_655 . ?
C9 Ag6 Ag3 51.69(13) . 1_655 ?
O4 Ag6 Ag3 130.96(13) 1_655 1_655 ?
O1 Ag6 Ag3 95.09(13) 1_655 1_655 ?
Ag7 Ag6 Ag3 60.094(16) . 1_655 ?
C9 Ag6 Ag4 100.77(13) . 1_655 ?
O4 Ag6 Ag4 80.61(13) 1_655 1_655 ?
O1 Ag6 Ag4 120.86(12) 1_655 1_655 ?
Ag7 Ag6 Ag4 64.986(17) . 1_655 ?
Ag3 Ag6 Ag4 60.197(15) 1_655 1_655 ?
C9 Ag6 Ag5 46.19(13) . . ?
O4 Ag6 Ag5 130.93(13) 1_655 . ?
O1 Ag6 Ag5 109.98(13) 1_655 . ?
Ag7 Ag6 Ag5 60.218(17) . . ?
Ag3 Ag6 Ag5 96.864(18) 1_655 . ?
Ag4 Ag6 Ag5 124.69(2) 1_655 . ?
C9 Ag7 O10 149.50(19) . 1_655 ?
C9 Ag7 O11 118.4(3) . 1_655 ?
O10 Ag7 O11 91.7(3) 1_655 1_655 ?
C9 Ag7 O6 103.36(18) . 2_766 ?
O10 Ag7 O6 82.43(16) 1_655 2_766 ?
O11 Ag7 O6 85.1(4) 1_655 2_766 ?
C9 Ag7 Ag6 49.45(14) . . ?
O10 Ag7 Ag6 104.85(13) 1_655 . ?
O11 Ag7 Ag6 139.6(3) 1_655 . ?
O6 Ag7 Ag6 132.89(13) 2_766 . ?
C9 Ag7 Ag3 52.76(13) . 1_655 ?
O10 Ag7 Ag3 136.90(11) 1_655 1_655 ?
O11 Ag7 Ag3 80.4(3) 1_655 1_655 ?
O6 Ag7 Ag3 137.93(11) 2_766 1_655 ?
Ag6 Ag7 Ag3 62.221(16) . 1_655 ?
C9 Ag7 Ag5 49.53(13) . . ?
O10 Ag7 Ag5 109.55(12) 1_655 . ?
O11 Ag7 Ag5 141.5(3) 1_655 . ?
O6 Ag7 Ag5 67.19(13) 2_766 . ?
Ag6 Ag7 Ag5 66.580(18) . . ?
Ag3 Ag7 Ag5 102.178(17) 1_655 . ?
C9 Ag7 Ag4 96.52(13) . 1_655 ?
O10 Ag7 Ag4 78.51(11) 1_655 1_655 ?
O11 Ag7 Ag4 88.8(4) 1_655 1_655 ?
O6 Ag7 Ag4 159.77(12) 2_766 1_655 ?
Ag6 Ag7 Ag4 59.933(17) . 1_655 ?
Ag3 Ag7 Ag4 59.170(15) 1_655 1_655 ?
Ag5 Ag7 Ag4 125.98(2) . 1_655 ?
N1 Ag8 O5 139.31(17) . 1_565 ?
N1 Ag8 O1W 123.85(18) . . ?
O5 Ag8 O1W 81.43(19) 1_565 . ?
N1 Ag8 O4 129.74(16) . 1_665 ?
O5 Ag8 O4 73.47(19) 1_565 1_665 ?
O1W Ag8 O4 91.18(18) . 1_665 ?
C5 N1 C4 119.3(4) . . ?
C5 N1 Ag8 122.5(3) . . ?
C4 N1 Ag8 118.2(3) . . ?
C2 C1 Ag2 151.3(5) . . ?
C2 C1 Ag4 101.7(4) . . ?
Ag2 C1 Ag4 85.52(18) . . ?
C2 C1 Ag3 130.3(4) . . ?
Ag2 C1 Ag3 78.00(16) . . ?
Ag4 C1 Ag3 81.15(16) . . ?
C2 C1 Ag1 97.5(4) . . ?
Ag2 C1 Ag1 82.68(16) . . ?
Ag4 C1 Ag1 158.1(2) . . ?
Ag3 C1 Ag1 78.38(16) . . ?
C1 C2 C3 179.2(6) . . ?
C7 C3 C4 118.8(4) . . ?
C7 C3 C2 121.9(5) . . ?
C4 C3 C2 119.3(4) . . ?
N1 C4 C3 122.1(5) . . ?
N1 C5 C6 121.7(4) . . ?
C7 C6 C5 119.2(4) . . ?
C7 C6 C8 121.2(4) . . ?
C5 C6 C8 119.6(4) . . ?
C3 C7 C6 118.9(5) . . ?
C9 C8 C6 172.5(5) . . ?
C9 C8 Ag5 68.9(3) . . ?
C6 C8 Ag5 118.2(3) . . ?
C8 C9 Ag6 130.6(4) . . ?
C8 C9 Ag7 146.3(4) . . ?
Ag6 C9 Ag7 80.97(17) . . ?
C8 C9 Ag5 82.4(3) . . ?
Ag6 C9 Ag5 91.66(19) . . ?
Ag7 C9 Ag5 85.33(17) . . ?
C8 C9 Ag3 112.7(4) . 1_655 ?
Ag6 C9 Ag3 81.66(16) . 1_655 ?
Ag7 C9 Ag3 79.58(15) . 1_655 ?
Ag5 C9 Ag3 164.3(2) . 1_655 ?
C10 O1 Ag6 135.3(4) . 1_455 ?
C10 O2 Ag2 125.8(4) . . ?
C10 O2 Ag1 131.2(3) . 2_565 ?
Ag2 O2 Ag1 102.60(15) . 2_565 ?
O1 C10 O2 129.3(5) . . ?
O1 C10 C11 116.1(5) . . ?
O2 C10 C11 114.5(5) . . ?
F12 C11 F13 110.1(12) . . ?
F12 C11 F11 107.3(12) . . ?
F13 C11 F11 106.7(13) . . ?
F12 C11 F13' 98.4(14) . . ?
F13 C11 F13' 12.9(17) . . ?
F11 C11 F13' 116.6(18) . . ?
F12 C11 F12' 13.3(17) . . ?
F13 C11 F12' 117.9(16) . . ?
F11 C11 F12' 94.3(16) . . ?
F13' C11 F12' 107.4(10) . . ?
F12 C11 F11' 116.1(16) . . ?
F13 C11 F11' 96.9(17) . . ?
F11 C11 F11' 10.9(18) . . ?
F13' C11 F11' 107.6(10) . . ?
F12' C11 F11' 103.4(9) . . ?
F12 C11 C10 111.0(12) . . ?
F13 C11 C10 112.4(13) . . ?
F11 C11 C10 109.2(11) . . ?
F13' C11 C10 113.7(10) . . ?
F12' C11 C10 114.3(9) . . ?
F11' C11 C10 109.7(10) . . ?
C12 O3 Ag4 117.8(6) . . ?
C12 O4 Ag6 123.3(4) . 1_455 ?
C12 O4 Ag8 132.8(4) . 1_445 ?
Ag6 O4 Ag8 102.39(18) 1_455 1_445 ?
O3 C12 O4 127.3(7) . . ?
O3 C12 C13 117.8(7) . . ?
O4 C12 C13 114.8(7) . . ?
F22' C13 F23 125.5(13) . . ?
F22' C13 F22 48.3(18) . . ?
F23 C13 F22 98.1(11) . . ?
F22' C13 F21 67.9(19) . . ?
F23 C13 F21 107.9(14) . . ?
F22 C13 F21 114.4(14) . . ?
F22' C13 C12 115.9(12) . . ?
F23 C13 C12 116.4(9) . . ?
F22 C13 C12 111.2(12) . . ?
F21 C13 C12 108.7(10) . . ?
C13 F21 F22' 51.6(10) . . ?
F22' F22 C13 60.8(16) . . ?
F22 F22' C13 70.8(15) . . ?
F22 F22' F21 129(2) . . ?
C13 F22' F21 60.4(17) . . ?
C14 O5 Ag8 134.7(4) . 1_545 ?
C14 O6 Ag5 107.1(4) . . ?
C14 O6 Ag7 139.9(4) . 2_766 ?
Ag5 O6 Ag7 96.11(17) . 2_766 ?
O5 C14 O6 126.0(6) . . ?
O5 C14 C15 116.4(5) . . ?
O6 C14 C15 117.6(5) . . ?
F33' C15 F31' 107.4(14) . . ?
F33' C15 F33 15(2) . . ?
F31' C15 F33 95(2) . . ?
F33' C15 F31 118.5(19) . . ?
F31' C15 F31 21(2) . . ?
F33 C15 F31 108.9(13) . . ?
F33' C15 F32' 105.9(13) . . ?
F31' C15 F32' 105.1(14) . . ?
F33 C15 F32' 118(2) . . ?
F31 C15 F32' 85(2) . . ?
F33' C15 F32 94(2) . . ?
F31' C15 F32 127(2) . . ?
F33 C15 F32 108.0(14) . . ?
F31 C15 F32 107.0(14) . . ?
F32' C15 F32 22(3) . . ?
F33' C15 C14 115.2(15) . . ?
F31' C15 C14 107.9(14) . . ?
F33 C15 C14 113.4(14) . . ?
F31 C15 C14 113.6(12) . . ?
F32' C15 C14 114.7(14) . . ?
F32 C15 C14 105.4(17) . . ?
C16 O7 Ag3 129.4(4) . . ?
C16 O8 Ag1 115.1(4) . . ?
C16 O8 Ag2 142.7(4) . 2_565 ?
Ag1 O8 Ag2 102.19(16) . 2_565 ?
O7 C16 O8 128.8(6) . . ?
O7 C16 C17 116.2(5) . . ?
O8 C16 C17 115.1(5) . . ?
F43 C17 F41 103.3(13) . . ?
F43 C17 F42 103.8(13) . . ?
F41 C17 F42 102.1(13) . . ?
F43 C17 F41' 18.6(19) . . ?
F41 C17 F41' 121.0(16) . . ?
F42 C17 F41' 93.1(16) . . ?
F43 C17 F43' 114.9(17) . . ?
F41 C17 F43' 83.6(16) . . ?
F42 C17 F43' 19.7(18) . . ?
F41' C17 F43' 108.6(8) . . ?
F43 C17 F42' 90.0(19) . . ?
F41 C17 F42' 26.1(16) . . ?
F42 C17 F42' 127.6(19) . . ?
F41' C17 F42' 108.5(11) . . ?
F43' C17 F42' 109.5(10) . . ?
F43 C17 C16 118.9(14) . . ?
F41 C17 C16 116.6(12) . . ?
F42 C17 C16 110.1(14) . . ?
F41' C17 C16 110.2(8) . . ?
F43' C17 C16 113.9(10) . . ?
F42' C17 C16 106.1(11) . . ?
C18 O9 Ag4 129.6(4) . . ?
C18 O10 Ag7 124.3(4) . 1_455 ?
C18 O10 Ag5 136.0(4) . 2_666 ?
Ag7 O10 Ag5 99.62(16) 1_455 2_666 ?
O10 C18 O9 129.6(5) . . ?
O10 C18 C19 115.0(5) . . ?
O9 C18 C19 115.4(5) . . ?
F52' C19 F53 82(2) . . ?
F52' C19 F53' 107.8(12) . . ?
F53 C19 F53' 125.0(17) . . ?
F52' C19 F51' 106.0(12) . . ?
F53 C19 F51' 27.3(18) . . ?
F53' C19 F51' 104.6(11) . . ?
F52' C19 F51 31.1(18) . . ?
F53 C19 F51 107.9(13) . . ?
F53' C19 F51 79.1(15) . . ?
F51' C19 F51 125.9(17) . . ?
F52' C19 F52 131.5(17) . . ?
F53 C19 F52 107.8(13) . . ?
F53' C19 F52 28.1(15) . . ?
F51' C19 F52 82.3(17) . . ?
F51 C19 F52 106.0(12) . . ?
F52' C19 C18 110.1(13) . . ?
F53 C19 C18 112.0(15) . . ?
F53' C19 C18 114.3(9) . . ?
F51' C19 C18 113.4(11) . . ?
F51 C19 C18 113.2(11) . . ?
F52 C19 C18 109.5(12) . . ?
C20 O11 Ag7 123.7(11) . 1_455 ?
C20 O12 Ag3 122.5(16) . . ?
O11 C20 O12 123.0(18) . . ?
O11 C20 C21 122.0(15) . . ?
O12 C20 C21 114.2(14) . . ?
F62 C21 F61 103.9(15) . . ?
F62 C21 F63 105.1(15) . . ?
F61 C21 F63 105.4(16) . . ?
F62 C21 C20 112.1(16) . . ?
F61 C21 C20 112.9(16) . . ?
F63 C21 C20 116.3(16) . . ?
C21 F62 F62 116.5(19) . 2_676 ?
C20' O11' Ag1 110.4(8) . . ?
C20' O12' Ag3 117.8(9) . . ?
O11' C20' O12' 138.4(14) . . ?
O11' C20' C21' 118.1(10) . . ?
O12' C20' C21' 98.5(12) . . ?
F62' C21' F61' 107.3(17) . . ?
F62' C21' F63' 106.0(16) . . ?
F61' C21' F63' 105.0(15) . . ?
F62' C21' C20' 123.0(14) . . ?
F61' C21' C20' 109.2(16) . . ?
F63' C21' C20' 105(2) . . ?
O3W' O3W Ag5 72(2) . . ?
O3W O3W' Ag5 90(2) . . ?
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 O8 2.322(4) . ?
Ag1 O11' 2.349(7) . ?
Ag1 C1 2.384(5) . ?
Ag1 O2 2.450(4) 2_565 ?
Ag1 Ag3 2.9845(6) . ?
Ag1 Ag2 3.0026(7) . ?
Ag2 C1 2.154(5) . ?
Ag2 O2 2.238(4) . ?
Ag2 O8 2.382(4) 2_565 ?
Ag2 Ag3 2.8307(6) . ?
Ag2 Ag4 2.9979(7) . ?
Ag3 C1 2.338(5) . ?
Ag3 O12' 2.340(13) . ?
Ag3 C9 2.356(5) 1_455 ?
Ag3 O7 2.363(5) . ?
Ag3 O12 2.46(2) . ?
Ag3 Ag7 2.9109(6) 1_455 ?
Ag3 Ag6 2.9710(6) 1_455 ?
Ag3 Ag4 2.9921(7) . ?
Ag4 O9 2.195(5) . ?
Ag4 C1 2.261(5) . ?
Ag4 O4W 2.532(18) . ?
Ag4 O3 2.560(7) . ?
Ag4 Ag6 2.9953(7) 1_455 ?
Ag4 Ag7 3.1364(7) 1_455 ?
Ag5 C9 2.348(5) . ?
Ag5 O6 2.384(5) . ?
Ag5 O3W' 2.417(18) . ?
Ag5 O10 2.447(4) 2_666 ?
Ag5 C8 2.494(5) . ?
Ag5 O3W 2.544(14) . ?
Ag5 Ag7 3.0760(8) . ?
Ag5 Ag6 3.2521(7) . ?
Ag6 C9 2.183(5) . ?
Ag6 O4 2.222(5) 1_655 ?
Ag6 O1 2.441(5) 1_655 ?
Ag6 Ag7 2.8380(6) . ?
Ag6 Ag3 2.9710(6) 1_655 ?
Ag6 Ag4 2.9953(7) 1_655 ?
Ag7 C9 2.188(5) . ?
Ag7 O10 2.285(4) 1_655 ?
Ag7 O11 2.361(9) 1_655 ?
Ag7 O6 2.478(4) 2_766 ?
Ag7 Ag3 2.9109(6) 1_655 ?
Ag7 Ag4 3.1364(7) 1_655 ?
Ag8 N1 2.205(4) . ?
Ag8 O5 2.323(4) 1_565 ?
Ag8 O1W 2.453(5) . ?
Ag8 O4 2.548(5) 1_665 ?
N1 C5 1.340(7) . ?
N1 C4 1.342(7) . ?
C1 C2 1.206(7) . ?
C2 C3 1.442(6) . ?
C3 C7 1.385(7) . ?
C3 C4 1.395(7) . ?
C5 C6 1.392(7) . ?
C6 C7 1.390(7) . ?
C6 C8 1.449(7) . ?
C8 C9 1.206(7) . ?
C9 Ag3 2.356(5) 1_655 ?
O1 C10 1.216(7) . ?
O1 Ag6 2.441(5) 1_455 ?
O2 C10 1.242(7) . ?
O2 Ag1 2.450(4) 2_565 ?
C10 C11 1.530(8) . ?
C11 F12 1.259(17) . ?
C11 F13 1.272(17) . ?
C11 F11 1.285(18) . ?
C11 F13' 1.329(13) . ?
C11 F12' 1.336(14) . ?
C11 F11' 1.350(14) . ?
O3 C12 1.218(9) . ?
O4 C12 1.228(8) . ?
O4 Ag6 2.222(5) 1_455 ?
O4 Ag8 2.548(5) 1_445 ?
C12 C13 1.541(12) . ?
C13 F22' 1.21(2) . ?
C13 F23 1.242(11) . ?
C13 F22 1.314(17) . ?
C13 F21 1.347(15) . ?
F21 F22' 1.44(4) . ?
F22 F22' 1.04(3) . ?
O5 C14 1.225(7) . ?
O5 Ag8 2.323(4) 1_545 ?
O6 C14 1.237(7) . ?
O6 Ag7 2.478(4) 2_766 ?
C14 C15 1.528(9) . ?
C15 F33' 1.264(19) . ?
C15 F31' 1.28(2) . ?
C15 F33 1.28(2) . ?
C15 F31 1.28(2) . ?
C15 F32' 1.29(2) . ?
C15 F32 1.30(2) . ?
O7 C16 1.216(7) . ?
O8 C16 1.244(7) . ?
O8 Ag2 2.382(4) 2_565 ?
C16 C17 1.531(9) . ?
C17 F43 1.243(15) . ?
C17 F41 1.255(15) . ?
C17 F42 1.274(14) . ?
C17 F41' 1.317(5) . ?
C17 F43' 1.318(5) . ?
C17 F42' 1.318(5) . ?
O9 C18 1.231(8) . ?
O10 C18 1.230(7) . ?
O10 Ag7 2.285(4) 1_455 ?
O10 Ag5 2.447(4) 2_666 ?
C18 C19 1.533(8) . ?
C19 F52' 1.248(16) . ?
C19 F53 1.257(16) . ?
C19 F53' 1.261(14) . ?
C19 F51' 1.270(14) . ?
C19 F51 1.274(14) . ?
C19 F52 1.293(15) . ?
O11 C20 1.244(5) . ?
O11 Ag7 2.361(9) 1_455 ?
O12 C20 1.250(5) . ?
C20 C21 1.54(3) . ?
C21 F62 1.255(16) . ?
C21 F61 1.259(17) . ?
C21 F63 1.262(16) . ?
F62 F62 1.32(3) 2_676 ?
O11' C20' 1.302(14) . ?
O12' C20' 1.322(13) . ?
C20' C21' 1.62(3) . ?
C21' F62' 1.243(17) . ?
C21' F61' 1.252(18) . ?
C21' F63' 1.261(17) . ?
O3W O3W' 0.81(2) . ?
