#------------------------------------------------------------------------------
#$Date: 2016-03-21 11:13:33 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178684 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/95/4079569.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_4079569
loop_
_publ_author_name
'Hu, Ting'
'Zhao, Liang'
'Mak, Thomas C. W.'
_publ_section_title
;
 Assembly of Silver-Organic Frameworks and Discrete Molecules Containing
 Embedded 1,3-Butadiyne-1,4-diide with Ancillary Heteroaromatic N-Donor
 Ligands
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              7539
_journal_paper_doi               10.1021/om300838r
_journal_volume                  31
_journal_year                    2012
_chemical_formula_sum            'C48 H32 Ag12 F30 N16 O20'
_chemical_formula_weight         3017.34
_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                98.792(2)
_cell_angle_beta                 99.649(3)
_cell_angle_gamma                97.927(2)
_cell_formula_units_Z            3
_cell_length_a                   14.9245(19)
_cell_length_b                   16.1583(18)
_cell_length_c                   25.451(3)
_cell_measurement_reflns_used    106602
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      55.742
_cell_measurement_theta_min      4.715
_cell_volume                     5894.9(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 0.984
_diffrn_measured_fraction_theta_max 0.984
_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  0.0927
_diffrn_reflns_av_sigmaI/netI    0.0881
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            101269
_diffrn_reflns_theta_full        28.16
_diffrn_reflns_theta_max         28.16
_diffrn_reflns_theta_min         1.65
_exptl_absorpt_coefficient_mu    3.064
_exptl_absorpt_correction_T_max  0.6399
_exptl_absorpt_correction_T_min  0.5793
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.550
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4278
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         4.070
_refine_diff_density_min         -3.367
_refine_diff_density_rms         0.250
_refine_ls_extinction_coef       0.00022(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1726
_refine_ls_number_reflns         28440
_refine_ls_number_restraints     86
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.1127
_refine_ls_R_factor_gt           0.0698
_refine_ls_shift/su_max          0.037
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0953P)²+40.0996P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1751
_refine_ls_wR_factor_ref         0.2034
_reflns_number_gt                18722
_reflns_number_total             28440
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om300838r_si_002.cif
_cod_data_source_block           6
_cod_database_code               4079569
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 0.13919(5) 0.25954(4) 0.36205(3) 0.03527(17) Uani 1 1 d .
Ag2 Ag 0.15316(6) 0.09740(5) 0.38521(4) 0.0578(3) Uani 1 1 d .
Ag3 Ag 0.30673(6) 0.15372(4) 0.46755(3) 0.0515(2) Uani 1 1 d .
Ag4 Ag 0.28825(5) 0.31742(4) 0.45107(3) 0.04045(19) Uani 1 1 d .
Ag5 Ag 0.40269(7) 0.20289(5) 0.18603(4) 0.0697(3) Uani 1 1 d .
Ag6 Ag 0.35485(5) 0.03631(4) 0.20121(3) 0.03865(18) Uani 1 1 d .
Ag7 Ag 0.50536(5) 0.05029(4) 0.28523(3) 0.03552(17) Uani 1 1 d .
Ag8 Ag 0.54319(5) 0.22220(4) 0.27661(3) 0.04343(19) Uani 1 1 d .
C1 C 0.2694(6) 0.2027(5) 0.3841(4) 0.036(2) Uani 1 1 d .
C2 C 0.3139(6) 0.1863(4) 0.3490(3) 0.0272(17) Uani 1 1 d .
C3 C 0.3621(6) 0.1648(5) 0.3086(3) 0.0286(18) Uani 1 1 d .
C4 C 0.4046(7) 0.1419(5) 0.2732(4) 0.036(2) Uani 1 1 d .
Ag9 Ag 0.16914(10) 0.18518(7) 0.24346(6) 0.0366(3) Uani 0.50 1 d P
Ag10 Ag 0.29287(9) -0.02415(8) 0.30416(5) 0.0328(3) Uani 0.50 1 d P
Ag11 Ag 0.50369(10) 0.17099(8) 0.41981(6) 0.0414(3) Uani 0.50 1 d P
Ag12 Ag 0.39530(9) 0.37680(8) 0.35715(5) 0.0341(3) Uani 0.50 1 d P
N1 N 0.0537(5) -0.0729(4) 0.1839(3) 0.0393(18) Uani 1 1 d .
H1 H 0.0119 -0.1097 0.1617 0.047 Uiso 1 1 calc R
N2 N 0.1728(6) -0.0170(5) 0.2465(4) 0.048(2) Uani 1 1 d .
N2D N 0.1320(6) 0.0493(5) 0.2277(3) 0.046(2) Uani 1 1 d .
C25 C 0.1220(7) -0.0895(6) 0.2183(4) 0.047(3) Uani 1 1 d .
H25 H 0.1332 -0.1436 0.2224 0.056 Uiso 1 1 calc R
C26 C 0.0611(6) 0.0129(5) 0.1898(4) 0.035(2) Uani 1 1 d .
H26 H 0.0217 0.0414 0.1698 0.042 Uiso 1 1 calc R
N3 N 0.1784(6) 0.4484(4) 0.2579(3) 0.0396(19) Uani 1 1 d .
H3 H 0.1501 0.4890 0.2499 0.048 Uiso 1 1 calc R
N4 N 0.2084(7) 0.3220(5) 0.2608(4) 0.052(2) Uani 1 1 d .
N4D N 0.2808(6) 0.3819(6) 0.2952(4) 0.055(2) Uani 1 1 d .
C27 C 0.1498(7) 0.3658(6) 0.2390(4) 0.044(2) Uani 1 1 d .
H27 H 0.0959 0.3427 0.2140 0.053 Uiso 1 1 calc R
C28 C 0.2587(7) 0.4565(6) 0.2913(4) 0.050(3) Uani 1 1 d .
H28 H 0.2943 0.5080 0.3094 0.060 Uiso 1 1 calc R
N5 N 0.6256(6) 0.4219(5) 0.4795(4) 0.045(2) Uani 1 1 d .
H5 H 0.6666 0.4576 0.5030 0.054 Uiso 1 1 calc R
N6 N 0.5076(6) 0.3706(5) 0.4156(4) 0.047(2) Uani 1 1 d .
N6D N 0.5452(6) 0.3041(5) 0.4332(4) 0.047(2) Uani 1 1 d .
C29 C 0.5585(7) 0.4418(6) 0.4451(4) 0.045(2) Uani 1 1 d .
H29 H 0.5485 0.4966 0.4421 0.054 Uiso 1 1 calc R
C30 C 0.6194(7) 0.3378(6) 0.4718(4) 0.044(2) Uani 1 1 d .
H30 H 0.6594 0.3077 0.4901 0.053 Uiso 1 1 calc R
N7 N 0.5060(6) -0.0905(5) 0.4106(3) 0.044(2) Uani 1 1 d .
H7 H 0.5329 -0.1305 0.4212 0.053 Uiso 1 1 calc R
N8 N 0.4716(6) 0.0349(5) 0.4051(4) 0.047(2) Uani 1 1 d .
N8D N 0.4128(6) -0.0251(6) 0.3635(4) 0.048(2) Uani 1 1 d .
C31 C 0.5276(7) -0.0082(6) 0.4332(4) 0.046(2) Uani 1 1 d .
H31 H 0.5736 0.0153 0.4633 0.055 Uiso 1 1 calc R
C32 C 0.4352(7) -0.1002(6) 0.3686(4) 0.045(2) Uani 1 1 d .
H32 H 0.4065 -0.1516 0.3467 0.053 Uiso 1 1 calc R
O1 O -0.0006(4) 0.1935(3) 0.3103(2) 0.0325(14) Uani 1 1 d .
O2 O 0.0129(4) 0.0656(4) 0.3319(3) 0.0431(17) Uani 1 1 d .
C5 C -0.0268(6) 0.1170(5) 0.3096(3) 0.0289(18) Uani 1 1 d .
C6 C -0.1226(6) 0.0782(5) 0.2746(4) 0.035(2) Uani 1 1 d .
F1 F -0.1772(4) 0.1355(3) 0.2667(3) 0.0529(16) Uani 1 1 d .
F2 F -0.1687(4) 0.0229(5) 0.2975(4) 0.086(3) Uani 1 1 d .
F3 F -0.1151(5) 0.0394(6) 0.2277(3) 0.099(3) Uani 1 1 d .
O3 O 0.1921(5) -0.0331(4) 0.3968(3) 0.0488(18) Uani 1 1 d .
O4 O 0.3013(5) 0.0129(4) 0.4716(3) 0.0397(15) Uani 1 1 d .
C7 C 0.2492(6) -0.0418(5) 0.4363(4) 0.0338(19) Uani 1 1 d .
C8 C 0.2540(7) -0.1343(5) 0.4409(4) 0.039(2) Uani 1 1 d .
F4 F 0.1810(4) -0.1699(4) 0.4569(3) 0.0576(17) Uani 1 1 d .
F5 F 0.2542(5) -0.1818(4) 0.3924(3) 0.0593(17) Uani 1 1 d .
F6 F 0.3287(4) -0.1443(4) 0.4747(3) 0.0633(19) Uani 1 1 d .
O5 O 0.4243(4) 0.2186(4) 0.5375(3) 0.0407(16) Uani 1 1 d .
O6 O 0.4076(4) 0.3513(4) 0.5262(3) 0.0393(15) Uani 1 1 d .
C9 C 0.4434(6) 0.2971(5) 0.5480(4) 0.0324(19) Uani 1 1 d .
C10 C 0.5214(8) 0.3324(6) 0.5974(4) 0.050(3) Uani 1 1 d .
F7 F 0.5583(7) 0.4093(5) 0.5995(4) 0.110(4) Uani 1 1 d .
F8 F 0.5059(7) 0.3135(8) 0.6403(3) 0.135(5) Uani 1 1 d .
F9 F 0.5946(6) 0.2918(6) 0.5914(5) 0.120(4) Uani 1 1 d .
O7 O 0.2476(4) 0.4490(3) 0.4416(3) 0.0374(15) Uani 1 1 d .
O8 O 0.1209(5) 0.3971(4) 0.3771(3) 0.0452(18) Uani 1 1 d .
C11 C 0.1750(6) 0.4525(5) 0.4109(4) 0.0333(19) Uani 1 1 d .
C12 C 0.1460(8) 0.5407(6) 0.4165(5) 0.058(3) Uani 1 1 d .
F10 F 0.0905(10) 0.5498(7) 0.4487(5) 0.149(5) Uani 1 1 d .
F11 F 0.2111(7) 0.6020(4) 0.4337(6) 0.176(7) Uani 1 1 d .
F12 F 0.0993(6) 0.5550(4) 0.3705(3) 0.084(3) Uani 1 1 d .
O9 O 0.1347(8) 0.1505(8) 0.4801(5) 0.110(4) Uani 1 1 d DU
O10 O 0.1777(6) 0.2859(6) 0.5097(4) 0.081(3) Uani 1 1 d DU
C13 C 0.1206(9) 0.2275(10) 0.4956(6) 0.085(5) Uani 1 1 d D
C14 C 0.0315(13) 0.2449(14) 0.5049(10) 0.188(5) Uani 1 1 d DU
F13 F -0.0356(10) 0.1822(10) 0.4913(6) 0.189(5) Uani 1 1 d DU
F14 F 0.0297(10) 0.2834(11) 0.5519(6) 0.197(6) Uani 1 1 d DU
F15 F 0.0105(17) 0.2960(14) 0.4701(11) 0.48(3) Uani 1 1 d DU
O11 O 0.2625(5) 0.1701(4) 0.1269(3) 0.0465(18) Uani 1 1 d .
O12 O 0.2452(4) 0.0298(3) 0.1241(2) 0.0354(14) Uani 1 1 d .
C15 C 0.2269(6) 0.0947(5) 0.1081(4) 0.0329(19) Uani 1 1 d .
C16 C 0.1487(7) 0.0802(5) 0.0583(4) 0.037(2) Uani 1 1 d .
F16 F 0.1362(5) 0.1485(4) 0.0379(3) 0.0608(18) Uani 1 1 d .
F17 F 0.1621(5) 0.0217(4) 0.0193(2) 0.0628(18) Uani 1 1 d .
F18 F 0.0692(4) 0.0477(5) 0.0703(3) 0.0644(18) Uani 1 1 d .
O13 O 0.3696(5) -0.1033(4) 0.1900(3) 0.0506(19) Uani 1 1 d .
O14 O 0.5036(5) -0.0871(4) 0.2489(3) 0.0453(17) Uani 1 1 d .
C17 C 0.4378(7) -0.1272(6) 0.2115(4) 0.040(2) Uani 1 1 d .
C18 C 0.4487(9) -0.2186(7) 0.1917(6) 0.071(4) Uani 1 1 d .
F19 F 0.3737(6) -0.2647(4) 0.1606(4) 0.097(3) Uani 1 1 d .
F20 F 0.4670(7) -0.2598(4) 0.2313(4) 0.121(4) Uani 1 1 d .
F21 F 0.5166(8) -0.2200(6) 0.1654(6) 0.156(6) Uani 1 1 d .
O15 O 0.6443(5) 0.0824(4) 0.3413(3) 0.0426(16) Uani 1 1 d .
O16 O 0.6722(5) 0.2222(4) 0.3395(3) 0.0448(17) Uani 1 1 d .
C19 C 0.6883(6) 0.1557(5) 0.3550(3) 0.0319(18) Uani 1 1 d .
C20 C 0.7765(7) 0.1693(7) 0.3982(4) 0.048(3) Uani 1 1 d .
F22 F 0.7723(5) 0.2261(4) 0.4409(2) 0.0647(19) Uani 1 1 d .
F23 F 0.8495(5) 0.2031(6) 0.3808(3) 0.086(3) Uani 1 1 d .
F24 F 0.7936(6) 0.1003(4) 0.4163(4) 0.111(4) Uani 1 1 d .
O17 O 0.5481(5) 0.3618(4) 0.2726(3) 0.054(2) Uani 1 1 d .
O18 O 0.4301(4) 0.3483(4) 0.2031(3) 0.0376(15) Uani 1 1 d .
C21 C 0.4941(6) 0.3875(5) 0.2385(4) 0.035(2) Uani 1 1 d .
C22 C 0.5123(9) 0.4828(8) 0.2422(5) 0.063(3) Uani 1 1 d DU
F25 F 0.4626(8) 0.5161(5) 0.2139(5) 0.154(4) Uani 1 1 d DU
F26 F 0.4705(15) 0.5108(16) 0.2887(8) 0.299(10) Uani 1 1 d DU
F27 F 0.5873(6) 0.5244(5) 0.2679(5) 0.146(5) Uani 1 1 d D
O19 O 0.6165(6) 0.1696(5) 0.2044(3) 0.063(2) Uani 1 1 d .
O20 O 0.4911(5) 0.0875(5) 0.1516(3) 0.0522(19) Uani 1 1 d .
C23 C 0.5762(7) 0.1060(6) 0.1721(4) 0.042(2) Uani 1 1 d .
C24 C 0.6369(9) 0.0430(8) 0.1542(5) 0.060(3) Uani 1 1 d .
F28 F 0.6023(6) -0.0026(7) 0.1064(4) 0.126(4) Uani 1 1 d .
F29 F 0.7188(5) 0.0803(6) 0.1494(3) 0.092(3) Uani 1 1 d .
F30 F 0.6552(8) -0.0020(7) 0.1915(5) 0.131(4) Uani 1 1 d .
Ag13 Ag 0.24651(6) 0.35009(4) 0.62079(3) 0.0488(2) Uani 1 1 d .
N9 N 0.3511(7) 0.1488(6) 0.6835(4) 0.060(3) Uani 1 1 d .
H9 H 0.3868 0.1305 0.7077 0.071 Uiso 1 1 calc R
N10 N 0.2815(6) 0.2357(5) 0.6402(4) 0.048(2) Uani 1 1 d .
C33 C 0.2524(8) 0.1560(7) 0.6130(5) 0.058(3) Uani 1 1 d .
H33 H 0.2095 0.1413 0.5806 0.070 Uiso 1 1 calc R
C34 C 0.2938(8) 0.1000(7) 0.6388(5) 0.058(3) Uani 1 1 d .
H34 H 0.2851 0.0413 0.6284 0.069 Uiso 1 1 calc R
C35 C 0.3422(8) 0.2300(7) 0.6832(4) 0.054(3) Uani 1 1 d .
H35 H 0.3740 0.2758 0.7095 0.064 Uiso 1 1 calc R
N11 N 0.2332(6) 0.6082(5) 0.6203(4) 0.051(2) Uani 1 1 d .
H11 H 0.2538 0.6612 0.6327 0.061 Uiso 1 1 calc R
N12 N 0.2221(6) 0.4714(5) 0.6098(3) 0.044(2) Uani 1 1 d .
C36 C 0.1582(8) 0.5764(7) 0.5816(5) 0.062(3) Uani 1 1 d .
H36 H 0.1190 0.6067 0.5630 0.074 Uiso 1 1 calc R
C37 C 0.1516(8) 0.4914(7) 0.5754(5) 0.065(4) Uani 1 1 d .
H37 H 0.1058 0.4523 0.5512 0.078 Uiso 1 1 calc R
C38 C 0.2699(7) 0.5438(6) 0.6360(4) 0.043(2) Uani 1 1 d .
H38 H 0.3228 0.5496 0.6623 0.052 Uiso 1 1 calc R
Ag14 Ag 0.42250(5) 0.07643(4) 0.04475(3) 0.04482(19) Uani 1 1 d .
N13 N 0.3778(6) -0.0552(4) 0.0227(3) 0.043(2) Uani 1 1 d .
N14 N 0.2968(5) -0.1770(5) -0.0195(3) 0.0394(18) Uani 1 1 d .
H14 H 0.2551 -0.2138 -0.0417 0.047 Uiso 1 1 calc R
C39 C 0.3098(7) -0.0934(6) -0.0176(4) 0.040(2) Uani 1 1 d .
H39 H 0.2759 -0.0656 -0.0413 0.048 Uiso 1 1 calc R
C40 C 0.3616(7) -0.1936(6) 0.0203(4) 0.046(2) Uani 1 1 d .
H40 H 0.3704 -0.2467 0.0278 0.055 Uiso 1 1 calc R
C41 C 0.4107(7) -0.1171(6) 0.0469(5) 0.049(3) Uani 1 1 d .
H41 H 0.4587 -0.1086 0.0767 0.059 Uiso 1 1 calc R
N15 N 0.4513(6) 0.2095(5) 0.0595(3) 0.043(2) Uani 1 1 d .
N16 N 0.5215(7) 0.3441(5) 0.0858(4) 0.055(2) Uani 1 1 d .
H16 H 0.5613 0.3885 0.1012 0.066 Uiso 1 1 calc R
C42 C 0.5281(7) 0.2625(6) 0.0890(4) 0.050(3) Uani 1 1 d .
H42 H 0.5782 0.2450 0.1087 0.060 Uiso 1 1 calc R
C43 C 0.4389(6) 0.3415(5) 0.0533(3) 0.0295(18) Uani 1 1 d .
H43 H 0.4149 0.3878 0.0427 0.035 Uiso 1 1 calc R
C44 C 0.3990(7) 0.2613(6) 0.0395(4) 0.047(3) Uani 1 1 d .
H44 H 0.3406 0.2431 0.0181 0.057 Uiso 1 1 calc R
Ag15 Ag 0.81063(4) 0.59959(4) 0.03211(3) 0.03273(15) Uani 1 1 d .
Ag16 Ag 0.81302(5) 0.43826(4) 0.06432(3) 0.03901(17) Uani 1 1 d .
Ag17 Ag 0.95720(6) 0.50584(4) 0.15161(4) 0.0614(3) Uani 1 1 d .
Ag18 Ag 0.96790(5) 0.66123(4) 0.11498(3) 0.03450(15) Uani 1 1 d .
C45 C 0.9367(6) 0.5390(5) 0.0554(4) 0.034(2) Uani 1 1 d .
C46 C 0.9771(6) 0.5135(4) 0.0203(3) 0.0280(17) Uani 1 1 d .
Ag20 Ag 0.95980(15) 0.67338(11) -0.02761(9) 0.0367(2) Uani 0.3330(13) 1 d P
Ag21 Ag 1.16169(7) 0.60442(6) 0.08510(4) 0.0367(2) Uani 0.6670(13) 1 d P
N17 N 0.7169(5) 0.5933(5) -0.1404(3) 0.0397(18) Uani 1 1 d .
H17 H 0.6698 0.6083 -0.1586 0.048 Uiso 1 1 calc R
N18D N 0.8102(6) 0.5129(5) -0.1076(3) 0.045(2) Uani 1 1 d .
N18 N 0.8460(6) 0.5990(6) -0.0855(4) 0.050(2) Uani 1 1 d .
C57 C 0.7878(8) 0.6451(6) -0.1074(4) 0.049(3) Uani 1 1 d .
H57 H 0.7954 0.7041 -0.1006 0.058 Uiso 1 1 calc R
C58 C 0.7320(7) 0.5138(6) -0.1403(4) 0.039(2) Uani 1 1 d .
H58 H 0.6928 0.4656 -0.1605 0.047 Uiso 1 1 calc R
N19 N 1.1617(6) 0.8596(4) 0.0769(3) 0.0412(19) Uani 1 1 d .
H19 H 1.1844 0.9122 0.0893 0.049 Uiso 1 1 calc R
N20D N 1.1413(6) 0.7218(5) 0.0667(4) 0.047(2) Uani 1 1 d .
N20 N 1.0765(6) 0.7448(5) 0.0271(4) 0.048(2) Uani 1 1 d .
C59 C 1.0895(7) 0.8302(6) 0.0352(4) 0.045(2) Uani 1 1 d .
H59 H 1.0552 0.8631 0.0156 0.054 Uiso 1 1 calc R
C60 C 1.1917(7) 0.7941(6) 0.0953(4) 0.043(2) Uani 1 1 d .
H60 H 1.2406 0.7980 0.1240 0.051 Uiso 1 1 calc R
O21 O 0.6693(4) 0.5370(3) -0.0160(2) 0.0329(14) Uani 1 1 d .
O22 O 0.6908(5) 0.4048(4) -0.0072(3) 0.0450(17) Uani 1 1 d .
C47 C 0.6466(6) 0.4582(5) -0.0237(3) 0.0299(18) Uani 1 1 d .
C48 C 0.5526(6) 0.4231(5) -0.0607(4) 0.0334(19) Uani 1 1 d .
F31 F 0.5625(4) 0.4115(4) -0.1118(2) 0.0587(17) Uani 1 1 d .
F32 F 0.4924(4) 0.4745(4) -0.0574(3) 0.0637(19) Uani 1 1 d .
F33 F 0.5146(4) 0.3492(4) -0.0516(3) 0.070(2) Uani 1 1 d .
O23 O 0.8390(4) 0.3108(3) 0.0889(3) 0.0395(15) Uani 1 1 d .
O24 O 0.9651(4) 0.3684(3) 0.1526(3) 0.0374(15) Uani 1 1 d .
C49 C 0.9098(6) 0.3093(5) 0.1234(4) 0.0312(18) Uani 1 1 d .
C50 C 0.9311(8) 0.2202(5) 0.1295(4) 0.045(3) Uani 1 1 d .
F34 F 0.8753(6) 0.1593(4) 0.1011(4) 0.114(4) Uani 1 1 d .
F35 F 0.9522(8) 0.2097(4) 0.1784(3) 0.103(3) Uani 1 1 d .
F36 F 1.0102(7) 0.2128(5) 0.1109(5) 0.119(4) Uani 1 1 d .
O25 O 1.0867(4) 0.5740(3) 0.2155(3) 0.0390(15) Uani 1 1 d .
O26 O 1.0880(4) 0.7008(4) 0.1889(3) 0.0392(15) Uani 1 1 d .
C51 C 1.1177(6) 0.6489(5) 0.2165(4) 0.0325(19) Uani 1 1 d .
C52 C 1.2080(7) 0.6831(6) 0.2578(4) 0.050(3) Uani 1 1 d .
F37 F 1.2056(7) 0.6616(5) 0.3048(3) 0.098(3) Uani 1 1 d .
F38 F 1.2761(5) 0.6456(6) 0.2431(4) 0.103(3) Uani 1 1 d .
F39 F 1.2326(6) 0.7653(4) 0.2663(4) 0.098(3) Uani 1 1 d .
O27 O 0.9197(4) 0.7897(3) 0.1158(3) 0.0384(15) Uani 1 1 d .
O28 O 0.7948(5) 0.7387(4) 0.0498(3) 0.0417(16) Uani 1 1 d .
C53 C 0.8453(6) 0.7927(5) 0.0855(3) 0.0305(18) Uani 1 1 d .
C54 C 0.8147(8) 0.8799(6) 0.0961(4) 0.052(3) Uani 1 1 d .
F40 F 0.7949(7) 0.8936(5) 0.1450(3) 0.096(3) Uani 1 1 d .
F41 F 0.8804(5) 0.9429(3) 0.0955(3) 0.078(2) Uani 1 1 d .
F42 F 0.7433(5) 0.8881(4) 0.0593(3) 0.068(2) Uani 1 1 d .
O29 O 0.7260(5) 0.5128(5) 0.1213(3) 0.0528(19) Uani 1 1 d .
O30 O 0.8491(4) 0.5936(4) 0.1772(3) 0.0443(16) Uani 1 1 d .
C55 C 0.7659(7) 0.5731(6) 0.1552(4) 0.038(2) Uani 1 1 d .
C56 C 0.7081(8) 0.6398(8) 0.1730(5) 0.061(3) Uani 1 1 d .
F43 F 0.6226(6) 0.6213(7) 0.1560(4) 0.119(4) Uani 1 1 d .
F44 F 0.7160(6) 0.6453(6) 0.2293(3) 0.092(3) Uani 1 1 d .
F45 F 0.7441(6) 0.7188(5) 0.1712(5) 0.105(3) Uani 1 1 d .
Ag19 Ag 0.91384(5) 0.58498(4) 0.28506(3) 0.04199(19) Uani 1 1 d .
N21 N 0.9578(6) 0.7158(5) 0.3041(4) 0.050(2) Uani 1 1 d .
N22 N 1.0403(9) 0.8403(5) 0.3395(5) 0.085(4) Uani 1 1 d .
H22 H 1.0849 0.8777 0.3589 0.102 Uiso 1 1 calc R
C61 C 0.9301(7) 0.4000(5) 0.2918(4) 0.040(2) Uani 1 1 d .
H61 H 0.9873 0.4171 0.3147 0.048 Uiso 1 1 calc R
C62 C 0.8011(6) 0.4013(5) 0.2392(4) 0.040(2) Uani 1 1 d .
H62 H 0.7527 0.4201 0.2189 0.048 Uiso 1 1 calc R
C63 C 0.8064(6) 0.3190(5) 0.2435(4) 0.036(2) Uani 1 1 d .
H63 H 0.7624 0.2715 0.2270 0.043 Uiso 1 1 calc R
N23 N 0.8801(5) 0.4521(4) 0.2703(3) 0.0357(18) Uani 1 1 d .
N24 N 0.8875(5) 0.3194(4) 0.2760(3) 0.037 Uani 1 1 d .
H24 H 0.9083 0.2755 0.2851 0.045 Uiso 1 1 calc R
C64 C 1.0288(10) 0.7556(7) 0.3380(5) 0.079 Uani 1 1 d .
H64 H 1.0686 0.7291 0.3594 0.094 Uiso 1 1 calc R
C65 C 0.9680(9) 0.8549(6) 0.3048(6) 0.066 Uani 1 1 d .
H65 H 0.9535 0.9075 0.2995 0.080 Uiso 1 1 calc R
C66 C 0.9208(9) 0.7779(6) 0.2790(6) 0.072 Uani 1 1 d .
H66 H 0.8719 0.7680 0.2496 0.087 Uiso 1 1 calc R
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
O8 Ag1 C1 128.6(3) . .
O8 Ag1 O1 102.5(2) . .
C1 Ag1 O1 128.5(3) . .
O8 Ag1 Ag2 157.6(2) . .
C1 Ag1 Ag2 51.7(2) . .
O1 Ag1 Ag2 83.90(14) . .
O8 Ag1 Ag4 82.55(16) . .
C1 Ag1 Ag4 51.2(2) . .
O1 Ag1 Ag4 161.95(17) . .
Ag2 Ag1 Ag4 85.31(3) . .
O8 Ag1 Ag9 116.3(2) . .
C1 Ag1 Ag9 80.0(2) . .
O1 Ag1 Ag9 71.29(17) . .
Ag2 Ag1 Ag9 86.04(4) . .
Ag4 Ag1 Ag9 122.32(4) . .
O2 Ag2 C1 128.0(3) . .
O2 Ag2 O3 104.3(2) . .
C1 Ag2 O3 117.2(3) . .
O2 Ag2 O9 108.2(4) . .
C1 Ag2 O9 95.6(4) . .
O3 Ag2 O9 98.8(4) . .
O2 Ag2 Ag3 167.4(2) . .
C1 Ag2 Ag3 55.3(2) . .
O3 Ag2 Ag3 81.55(16) . .
O9 Ag2 Ag3 59.5(3) . .
O2 Ag2 Ag1 82.01(15) . .
C1 Ag2 Ag1 52.4(2) . .
O3 Ag2 Ag1 168.1(2) . .
O9 Ag2 Ag1 88.6(3) . .
Ag3 Ag2 Ag1 94.34(3) . .
O5 Ag3 O4 103.1(2) . .
O5 Ag3 C1 125.0(3) . .
O4 Ag3 C1 122.3(3) . .
O5 Ag3 Ag2 171.37(16) . .
O4 Ag3 Ag2 84.50(16) . .
C1 Ag3 Ag2 51.4(2) . .
O5 Ag3 Ag4 85.53(15) . .
O4 Ag3 Ag4 171.23(16) . .
C1 Ag3 Ag4 51.36(19) . .
Ag2 Ag3 Ag4 86.76(3) . .
O5 Ag3 Ag11 71.80(19) . .
O4 Ag3 Ag11 94.24(19) . .
C1 Ag3 Ag11 75.3(3) . .
Ag2 Ag3 Ag11 112.07(5) . .
Ag4 Ag3 Ag11 89.79(4) . .
C1 Ag4 O6 124.9(3) . .
C1 Ag4 O7 126.4(3) . .
O6 Ag4 O7 102.7(2) . .
C1 Ag4 O10 107.6(4) . .
O6 Ag4 O10 90.1(3) . .
O7 Ag4 O10 94.2(4) . .
C1 Ag4 Ag3 55.2(2) . .
O6 Ag4 Ag3 81.11(15) . .
O7 Ag4 Ag3 169.86(18) . .
O10 Ag4 Ag3 76.3(3) . .
C1 Ag4 Ag1 51.7(2) . .
O6 Ag4 Ag1 174.21(16) . .
O7 Ag4 Ag1 82.48(15) . .
O10 Ag4 Ag1 87.0(2) . .
Ag3 Ag4 Ag1 93.34(3) . .
C1 Ag4 Ag12 72.7(3) . .
O6 Ag4 Ag12 100.88(18) . .
O7 Ag4 Ag12 75.64(19) . .
O10 Ag4 Ag12 166.4(3) . .
Ag3 Ag4 Ag12 113.12(4) . .
Ag1 Ag4 Ag12 82.77(3) . .
O18 Ag5 O11 103.3(2) . .
O18 Ag5 C4 111.8(3) . .
O11 Ag5 C4 114.2(3) . .
O18 Ag5 O20 135.0(3) . .
O11 Ag5 O20 103.4(2) . .
C4 Ag5 O20 88.9(3) . .
O18 Ag5 Ag8 83.38(16) . .
O11 Ag5 Ag8 163.9(2) . .
C4 Ag5 Ag8 49.9(2) . .
O20 Ag5 Ag8 80.78(16) . .
O18 Ag5 Ag6 159.94(18) . .
O11 Ag5 Ag6 82.19(16) . .
C4 Ag5 Ag6 49.5(2) . .
O20 Ag5 Ag6 59.71(18) . .
Ag8 Ag5 Ag6 86.81(3) . .
C4 Ag6 O13 131.0(3) . .
C4 Ag6 O12 129.4(3) . .
O13 Ag6 O12 98.3(2) . .
C4 Ag6 Ag7 52.2(2) . .
O13 Ag6 Ag7 82.37(18) . .
O12 Ag6 Ag7 171.85(17) . .
C4 Ag6 Ag5 59.9(2) . .
O13 Ag6 Ag5 152.5(2) . .
O12 Ag6 Ag5 82.39(14) . .
Ag7 Ag6 Ag5 93.30(3) . .
C4 Ag6 Ag10 71.1(3) . .
O13 Ag6 Ag10 76.2(2) . .
O12 Ag6 Ag10 119.41(17) . .
Ag7 Ag6 Ag10 68.67(3) . .
Ag5 Ag6 Ag10 127.46(4) . .
O15 Ag7 C4 125.0(3) . .
O15 Ag7 O14 101.3(2) . .
C4 Ag7 O14 133.6(3) . .
O15 Ag7 Ag6 166.00(18) . .
C4 Ag7 Ag6 51.6(2) . .
O14 Ag7 Ag6 83.29(18) . .
O15 Ag7 Ag8 82.62(16) . .
C4 Ag7 Ag8 51.7(2) . .
O14 Ag7 Ag8 147.95(19) . .
Ag6 Ag7 Ag8 86.54(3) . .
O15 Ag7 Ag10 132.33(19) . .
C4 Ag7 Ag10 66.7(3) . .
O14 Ag7 Ag10 83.7(2) . .
Ag6 Ag7 Ag10 60.97(3) . .
Ag8 Ag7 Ag10 117.26(3) . .
C4 Ag8 O17 118.3(3) . .
C4 Ag8 O16 123.7(3) . .
O17 Ag8 O16 102.9(2) . .
C4 Ag8 O19 112.1(3) . .
O17 Ag8 O19 104.1(3) . .
O16 Ag8 O19 91.1(3) . .
C4 Ag8 Ag5 59.7(2) . .
O17 Ag8 Ag5 82.59(17) . .
O16 Ag8 Ag5 168.68(19) . .
O19 Ag8 Ag5 77.9(2) . .
C4 Ag8 Ag7 51.8(2) . .
O17 Ag8 Ag7 169.8(2) . .
O16 Ag8 Ag7 83.20(16) . .
O19 Ag8 Ag7 83.8(2) . .
Ag5 Ag8 Ag7 92.87(3) . .
C2 C1 Ag2 114.1(6) . .
C2 C1 Ag4 131.0(8) . .
Ag2 C1 Ag4 114.8(5) . .
C2 C1 Ag1 118.1(7) . .
Ag2 C1 Ag1 76.0(3) . .
Ag4 C1 Ag1 77.1(3) . .
C2 C1 Ag3 118.8(6) . .
Ag2 C1 Ag3 73.3(3) . .
Ag4 C1 Ag3 73.5(3) . .
Ag1 C1 Ag3 122.3(5) . .
C1 C2 C3 177.9(9) . .
C4 C3 C2 177.0(9) . .
C3 C4 Ag6 127.1(7) . .
C3 C4 Ag8 116.3(7) . .
Ag6 C4 Ag8 116.3(4) . .
C3 C4 Ag7 121.1(7) . .
Ag6 C4 Ag7 76.2(3) . .
Ag8 C4 Ag7 76.5(3) . .
C3 C4 Ag5 124.3(6) . .
Ag6 C4 Ag5 70.6(3) . .
Ag8 C4 Ag5 70.4(3) . .
Ag7 C4 Ag5 114.2(4) . .
N2D Ag9 N4 178.8(4) . .
N2D Ag9 Ag1 109.6(3) . .
N4 Ag9 Ag1 69.7(3) . .
N8D Ag10 N2 177.2(4) . .
N8D Ag10 Ag6 109.2(3) . .
N2 Ag10 Ag6 70.8(3) . .
N8D Ag10 Ag7 59.2(2) . .
N2 Ag10 Ag7 120.5(3) . .
Ag6 Ag10 Ag7 50.36(3) . .
N6D Ag11 N8 175.7(4) . .
N6D Ag11 Ag3 101.8(3) . .
N8 Ag11 Ag3 82.3(2) . .
N6 Ag12 N4D 178.6(4) . .
N6 Ag12 Ag4 80.2(3) . .
N4D Ag12 Ag4 100.9(3) . .
C25 N1 C26 107.7(8) . .
C25 N1 H1 126.2 . .
C26 N1 H1 126.2 . .
C25 N2 N2D 106.6(8) . .
C25 N2 Ag10 118.1(7) . .
N2D N2 Ag10 135.2(7) . .
C26 N2D N2 106.2(8) . .
C26 N2D Ag9 119.4(7) . .
N2 N2D Ag9 134.1(7) . .
N1 C25 N2 109.7(8) . .
N1 C25 H25 125.2 . .
N2 C25 H25 125.2 . .
N2D C26 N1 109.8(8) . .
N2D C26 H26 125.1 . .
N1 C26 H26 125.1 . .
C27 N3 C28 107.3(8) . .
C27 N3 H3 126.3 . .
C28 N3 H3 126.3 . .
C27 N4 N4D 106.2(8) . .
C27 N4 Ag9 116.9(7) . .
N4D N4 Ag9 136.6(7) . .
C28 N4D N4 106.0(8) . .
C28 N4D Ag12 117.3(8) . .
N4 N4D Ag12 135.6(6) . .
N4 C27 N3 110.1(9) . .
N4 C27 H27 125.0 . .
N3 C27 H27 125.0 . .
N4D C28 N3 110.3(9) . .
N4D C28 H28 124.8 . .
N3 C28 H28 124.8 . .
C30 N5 C29 109.0(8) . .
C30 N5 H5 125.5 . .
C29 N5 H5 125.5 . .
C29 N6 N6D 106.9(8) . .
C29 N6 Ag12 119.8(7) . .
N6D N6 Ag12 133.2(7) . .
C30 N6D N6 107.2(8) . .
C30 N6D Ag11 117.3(7) . .
N6 N6D Ag11 134.9(7) . .
N6 C29 N5 108.9(8) . .
N6 C29 H29 125.6 . .
N5 C29 H29 125.6 . .
N5 C30 N6D 107.9(8) . .
N5 C30 H30 126.0 . .
N6D C30 H30 126.0 . .
C32 N7 C31 108.5(8) . .
C32 N7 H7 125.7 . .
C31 N7 H7 125.8 . .
C31 N8 N8D 106.7(8) . .
C31 N8 Ag11 118.6(7) . .
N8D N8 Ag11 133.3(6) . .
C32 N8D N8 107.0(8) . .
C32 N8D Ag10 116.7(8) . .
N8 N8D Ag10 135.8(7) . .
N8 C31 N7 108.6(9) . .
N8 C31 H31 125.7 . .
N7 C31 H31 125.7 . .
N8D C32 N7 109.2(9) . .
N8D C32 H32 125.4 . .
N7 C32 H32 125.4 . .
C5 O1 Ag1 119.5(5) . .
C5 O2 Ag2 124.6(5) . .
O1 C5 O2 129.9(8) . .
O1 C5 C6 116.0(7) . .
O2 C5 C6 114.1(7) . .
F3 C6 F2 107.5(9) . .
F3 C6 F1 107.7(9) . .
F2 C6 F1 104.9(8) . .
F3 C6 C5 110.9(8) . .
F2 C6 C5 112.0(8) . .
F1 C6 C5 113.3(7) . .
C7 O3 Ag2 122.4(6) . .
C7 O4 Ag3 120.5(6) . .
O3 C7 O4 129.4(8) . .
O3 C7 C8 113.9(8) . .
O4 C7 C8 116.7(8) . .
F6 C8 F4 108.0(8) . .
F6 C8 F5 106.6(8) . .
F4 C8 F5 105.2(8) . .
F6 C8 C7 113.7(8) . .
F4 C8 C7 111.3(8) . .
F5 C8 C7 111.6(8) . .
C9 O5 Ag3 119.8(6) . .
C9 O6 Ag4 123.3(6) . .
O5 C9 O6 130.2(8) . .
O5 C9 C10 114.4(8) . .
O6 C9 C10 115.3(8) . .
F8 C10 F7 116.1(12) . .
F8 C10 F9 100.3(11) . .
F7 C10 F9 100.6(12) . .
F8 C10 C9 114.9(10) . .
F7 C10 C9 114.2(8) . .
F9 C10 C9 108.4(10) . .
C11 O7 Ag4 119.6(5) . .
C11 O8 Ag1 123.2(5) . .
O8 C11 O7 131.2(8) . .
O8 C11 C12 114.2(8) . .
O7 C11 C12 114.6(8) . .
F11 C12 F10 105.1(13) . .
F11 C12 F12 107.2(12) . .
F10 C12 F12 103.0(11) . .
F11 C12 C11 114.9(10) . .
F10 C12 C11 112.7(11) . .
F12 C12 C11 112.9(9) . .
C13 O9 Ag2 122.2(11) . .
C13 O10 Ag4 119.3(9) . .
O10 C13 O9 124.5(16) . .
O10 C13 C14 112.9(17) . .
O9 C13 C14 121.9(16) . .
F14 C14 F13 109(2) . .
F14 C14 F15 108(2) . .
F13 C14 F15 104(2) . .
F14 C14 C13 115.9(19) . .
F13 C14 C13 117(2) . .
F15 C14 C13 103(2) . .
C15 O11 Ag5 120.6(6) . .
C15 O12 Ag6 121.2(6) . .
O12 C15 O11 129.1(9) . .
O12 C15 C16 115.1(7) . .
O11 C15 C16 115.8(7) . .
F16 C16 F17 108.1(8) . .
F16 C16 F18 108.0(8) . .
F17 C16 F18 104.0(8) . .
F16 C16 C15 114.8(8) . .
F17 C16 C15 111.0(7) . .
F18 C16 C15 110.4(8) . .
C17 O13 Ag6 122.1(7) . .
C17 O14 Ag7 120.8(6) . .
O13 C17 O14 129.6(9) . .
O13 C17 C18 117.0(10) . .
O14 C17 C18 113.4(9) . .
F20 C18 F21 106.9(12) . .
F20 C18 F19 104.3(12) . .
F21 C18 F19 108.9(14) . .
F20 C18 C17 112.7(12) . .
F21 C18 C17 110.3(11) . .
F19 C18 C17 113.4(10) . .
C19 O15 Ag7 122.9(6) . .
C19 O16 Ag8 120.7(6) . .
O15 C19 O16 130.2(9) . .
O15 C19 C20 117.0(8) . .
O16 C19 C20 112.8(8) . .
F24 C20 F23 109.1(10) . .
F24 C20 F22 106.7(10) . .
F23 C20 F22 103.6(10) . .
F24 C20 C19 113.9(9) . .
F23 C20 C19 111.8(9) . .
F22 C20 C19 111.1(8) . .
C21 O17 Ag8 122.6(6) . .
C21 O18 Ag5 120.7(5) . .
O18 C21 O17 130.4(8) . .
O18 C21 C22 116.2(8) . .
O17 C21 C22 113.4(9) . .
F25 C22 F27 119.0(12) . .
F25 C22 F26 90.9(13) . .
F27 C22 F26 88.6(13) . .
F25 C22 C21 120.2(11) . .
F27 C22 C21 119.6(11) . .
F26 C22 C21 101.1(14) . .
C23 O19 Ag8 118.1(7) . .
C23 O20 Ag5 111.7(7) . .
O19 C23 O20 127.7(11) . .
O19 C23 C24 115.4(10) . .
O20 C23 C24 116.9(10) . .
F30 C24 F28 113.5(14) . .
F30 C24 F29 103.9(12) . .
F28 C24 F29 104.3(11) . .
F30 C24 C23 109.4(10) . .
F28 C24 C23 112.5(11) . .
F29 C24 C23 112.8(11) . .
N12 Ag13 N10 173.3(3) . .
C35 N9 C34 108.3(10) . .
C35 N9 H9 125.9 . .
C34 N9 H9 125.9 . .
C35 N10 C33 106.0(9) . .
C35 N10 Ag13 124.4(7) . .
C33 N10 Ag13 129.5(8) . .
N10 C33 C34 110.9(11) . .
N10 C33 H33 124.5 . .
C34 C33 H33 124.5 . .
N9 C34 C33 104.7(10) . .
N9 C34 H34 127.7 . .
C33 C34 H34 127.7 . .
N10 C35 N9 110.1(11) . .
N10 C35 H35 125.0 . .
N9 C35 H35 125.0 . .
C38 N11 C36 108.1(9) . .
C38 N11 H11 126.0 . .
C36 N11 H11 126.0 . .
C38 N12 C37 105.5(8) . .
C38 N12 Ag13 127.0(7) . .
C37 N12 Ag13 127.5(7) . .
N11 C36 C37 105.7(9) . .
N11 C36 H36 127.2 . .
C37 C36 H36 127.2 . .
C36 C37 N12 109.6(10) . .
C36 C37 H37 125.2 . .
N12 C37 H37 125.2 . .
N12 C38 N11 111.2(9) . .
N12 C38 H38 124.4 . .
N11 C38 H38 124.4 . .
N15 Ag14 N13 172.3(3) . .
C39 N13 C41 106.9(8) . .
C39 N13 Ag14 125.5(6) . .
C41 N13 Ag14 127.5(7) . .
C39 N14 C40 107.6(8) . .
C39 N14 H14 126.2 . .
C40 N14 H14 126.2 . .
N13 C39 N14 110.5(8) . .
N13 C39 H39 124.8 . .
N14 C39 H39 124.8 . .
C41 C40 N14 106.5(9) . .
C41 C40 H40 126.7 . .
N14 C40 H40 126.7 . .
N13 C41 C40 108.4(9) . .
N13 C41 H41 125.8 . .
C40 C41 H41 125.8 . .
C44 N15 C42 103.9(8) . .
C44 N15 Ag14 126.8(7) . .
C42 N15 Ag14 129.2(6) . .
C43 N16 C42 105.7(9) . .
C43 N16 H16 127.2 . .
C42 N16 H16 127.2 . .
N15 C42 N16 110.6(9) . .
N15 C42 H42 124.7 . .
N16 C42 H42 124.7 . .
C44 C43 N16 107.3(8) . .
C44 C43 H43 126.3 . .
N16 C43 H43 126.3 . .
C43 C44 N15 112.5(9) . .
C43 C44 H44 123.7 . .
N15 C44 H44 123.7 . .
O21 Ag15 O28 102.3(2) . .
O21 Ag15 C45 128.7(3) . .
O28 Ag15 C45 128.9(3) . .
O21 Ag15 Ag18 164.63(17) . .
O28 Ag15 Ag18 80.59(16) . .
C45 Ag15 Ag18 50.6(2) . .
O21 Ag15 Ag16 83.44(14) . .
O28 Ag15 Ag16 150.75(19) . .
C45 Ag15 Ag16 53.2(2) . .
Ag18 Ag15 Ag16 86.90(3) . .
O21 Ag15 Ag20 119.60(17) . .
O28 Ag15 Ag20 81.6(2) . .
C45 Ag15 Ag20 73.2(3) . .
Ag18 Ag15 Ag20 75.68(5) . .
Ag16 Ag15 Ag20 120.77(4) . .
O22 Ag16 O23 105.8(2) . .
O22 Ag16 C45 115.9(3) . .
O23 Ag16 C45 120.4(3) . .
O22 Ag16 O29 92.2(3) . .
O23 Ag16 O29 112.6(3) . .
C45 Ag16 O29 106.4(3) . .
O22 Ag16 Ag17 170.77(15) . .
O23 Ag16 Ag17 83.29(16) . .
C45 Ag16 Ag17 59.1(2) . .
O29 Ag16 Ag17 82.36(17) . .
O22 Ag16 Ag15 79.42(16) . .
O23 Ag16 Ag15 170.92(18) . .
C45 Ag16 Ag15 50.7(2) . .
O29 Ag16 Ag15 74.1(2) . .
Ag17 Ag16 Ag15 91.87(3) . .
O24 Ag17 O25 102.1(2) . .
O24 Ag17 O30 132.5(3) . .
O25 Ag17 O30 98.9(2) . .
O24 Ag17 C45 112.2(3) . .
O25 Ag17 C45 119.4(3) . .
O30 Ag17 C45 93.0(3) . .
O24 Ag17 Ag16 82.85(15) . .
O25 Ag17 Ag16 171.31(18) . .
O30 Ag17 Ag16 82.45(16) . .
C45 Ag17 Ag16 52.0(2) . .
O24 Ag17 Ag18 159.26(19) . .
O25 Ag17 Ag18 84.20(15) . .
O30 Ag17 Ag18 64.36(18) . .
C45 Ag17 Ag18 49.08(18) . .
Ag16 Ag17 Ag18 88.72(3) . .
C45 Ag18 O27 133.9(3) . .
C45 Ag18 O26 126.8(3) . .
O27 Ag18 O26 98.2(2) . .
C45 Ag18 Ag17 59.9(2) . .
O27 Ag18 Ag17 148.36(18) . .
O26 Ag18 Ag17 82.06(15) . .
C45 Ag18 Ag15 51.7(2) . .
O27 Ag18 Ag15 84.88(16) . .
O26 Ag18 Ag15 173.01(17) . .
Ag17 Ag18 Ag15 92.05(3) . .
C45 Ag18 Ag21 69.7(2) . .
O27 Ag18 Ag21 128.95(18) . .
O26 Ag18 Ag21 68.67(18) . .
Ag17 Ag18 Ag21 80.85(3) . .
Ag15 Ag18 Ag21 114.23(3) . .
C46 C45 Ag18 130.0(7) . .
C46 C45 Ag15 118.7(7) . .
Ag18 C45 Ag15 77.7(3) . .
C46 C45 Ag16 113.2(6) . .
Ag18 C45 Ag16 116.6(4) . .
Ag15 C45 Ag16 76.2(3) . .
C46 C45 Ag17 126.4(6) . .
Ag18 C45 Ag17 71.0(3) . .
Ag15 C45 Ag17 113.7(4) . .
Ag16 C45 Ag17 68.9(3) . .
C45 C46 C46 178.4(10) . 2_765
N20 Ag20 N18 177.2(4) . .
N20 Ag20 Ag15 111.8(3) . .
N18 Ag20 Ag15 70.4(3) . .
N20D Ag21 N18D 176.6(4) . 2_765
N20D Ag21 Ag18 66.8(3) . .
N18D Ag21 Ag18 114.7(3) 2_765 .
C57 N17 C58 107.7(8) . .
C57 N17 H17 126.2 . .
C58 N17 H17 126.2 . .
C58 N18D N18 105.2(8) . .
C58 N18D Ag21 119.1(7) . 2_765
N18 N18D Ag21 133.7(6) . 2_765
C57 N18 N18D 107.3(8) . .
C57 N18 Ag20 113.3(7) . .
N18D N18 Ag20 139.3(7) . .
N17 C57 N18 109.0(9) . .
N17 C57 H57 125.5 . .
N18 C57 H57 125.5 . .
N18D C58 N17 110.8(9) . .
N18D C58 H58 124.6 . .
N17 C58 H58 124.6 . .
C60 N19 C59 108.9(8) . .
C60 N19 H19 125.6 . .
C59 N19 H19 125.6 . .
C60 N20D N20 106.3(8) . .
C60 N20D Ag21 122.1(7) . .
N20 N20D Ag21 131.6(7) . .
C59 N20 N20D 107.2(8) . .
C59 N20 Ag20 120.0(7) . .
N20D N20 Ag20 131.8(6) . .
N20 C59 N19 107.7(8) . .
N20 C59 H59 126.1 . .
N19 C59 H59 126.1 . .
N19 C60 N20D 109.8(8) . .
N19 C60 H60 125.1 . .
N20D C60 H60 125.1 . .
C47 O21 Ag15 120.1(5) . .
C47 O22 Ag16 123.0(6) . .
O22 C47 O21 128.9(8) . .
O22 C47 C48 115.9(7) . .
O21 C47 C48 115.1(7) . .
F31 C48 F32 105.7(8) . .
F31 C48 F33 107.1(8) . .
F32 C48 F33 107.4(9) . .
F31 C48 C47 109.5(8) . .
F32 C48 C47 113.6(7) . .
F33 C48 C47 113.1(7) . .
C49 O23 Ag16 119.2(5) . .
C49 O24 Ag17 124.0(5) . .
O24 C49 O23 129.6(8) . .
O24 C49 C50 114.9(8) . .
O23 C49 C50 115.5(8) . .
F34 C50 F35 112.0(10) . .
F34 C50 F36 103.2(11) . .
F35 C50 F36 102.4(11) . .
F34 C50 C49 116.2(9) . .
F35 C50 C49 114.4(9) . .
F36 C50 C49 106.9(9) . .
C51 O25 Ag17 120.2(6) . .
C51 O26 Ag18 122.8(5) . .
O25 C51 O26 130.2(8) . .
O25 C51 C52 114.2(8) . .
O26 C51 C52 115.6(8) . .
F39 C52 F37 107.0(10) . .
F39 C52 F38 109.7(11) . .
F37 C52 F38 101.5(10) . .
F39 C52 C51 114.6(8) . .
F37 C52 C51 112.9(10) . .
F38 C52 C51 110.2(9) . .
C53 O27 Ag18 118.4(5) . .
C53 O28 Ag15 124.9(5) . .
O28 C53 O27 130.8(8) . .
O28 C53 C54 116.6(8) . .
O27 C53 C54 112.6(8) . .
F40 C54 F42 110.1(11) . .
F40 C54 F41 105.7(9) . .
F42 C54 F41 105.4(8) . .
F40 C54 C53 109.8(8) . .
F42 C54 C53 113.2(8) . .
F41 C54 C53 112.4(10) . .
C55 O29 Ag16 118.7(7) . .
C55 O30 Ag17 119.5(6) . .
O29 C55 O30 131.0(10) . .
O29 C55 C56 116.4(9) . .
O30 C55 C56 112.5(9) . .
F43 C56 F45 114.4(13) . .
F43 C56 F44 102.7(11) . .
F45 C56 F44 100.0(10) . .
F43 C56 C55 116.7(10) . .
F45 C56 C55 114.3(10) . .
F44 C56 C55 106.0(10) . .
N21 Ag19 N23 175.0(3) . .
C64 N21 C66 105.2(9) . .
C64 N21 Ag19 127.2(8) . .
C66 N21 Ag19 127.4(7) . .
C65 N22 C64 106.5(9) . .
C65 N22 H22 126.7 . .
C64 N22 H22 126.7 . .
N23 C61 N24 110.9(8) . .
N23 C61 H61 124.6 . .
N24 C61 H61 124.6 . .
N23 C62 C63 108.3(8) . .
N23 C62 H62 125.9 . .
C63 C62 H62 125.9 . .
N24 C63 C62 106.9(8) . .
N24 C63 H63 126.5 . .
C62 C63 H63 126.5 . .
C61 N23 C62 105.9(7) . .
C61 N23 Ag19 125.7(6) . .
C62 N23 Ag19 128.4(6) . .
C61 N24 C63 108.0(7) . .
C61 N24 H24 126.0 . .
C63 N24 H24 126.0 . .
N21 C64 N22 112.8(11) . .
N21 C64 H64 123.6 . .
N22 C64 H64 123.6 . .
N22 C65 C66 106.6(10) . .
N22 C65 H65 126.7 . .
C66 C65 H65 126.7 . .
C65 C66 N21 108.3(10) . .
C65 C66 H66 125.8 . .
N21 C66 H66 125.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 O8 2.260(6) .
Ag1 C1 2.285(9) .
Ag1 O1 2.294(6) .
Ag1 Ag2 2.7993(10) .
Ag1 Ag4 2.8365(10) .
Ag1 Ag9 3.2008(17) .
Ag2 O2 2.242(6) .
Ag2 C1 2.264(10) .
Ag2 O3 2.311(6) .
Ag2 O9 2.511(15) .
Ag2 Ag3 2.7758(11) .
Ag3 O5 2.285(6) .
Ag3 O4 2.285(6) .
Ag3 C1 2.384(9) .
Ag3 Ag4 2.7840(10) .
Ag3 Ag11 3.357(2) .
Ag4 C1 2.268(8) .
Ag4 O6 2.324(6) .
Ag4 O7 2.326(6) .
Ag4 O10 2.456(10) .
Ag4 Ag12 3.2780(17) .
Ag5 O18 2.290(6) .
Ag5 O11 2.306(7) .
Ag5 C4 2.558(9) .
Ag5 O20 2.559(8) .
Ag5 Ag8 2.7907(12) .
Ag5 Ag6 2.7900(11) .
Ag6 C4 2.249(9) .
Ag6 O13 2.277(6) .
Ag6 O12 2.313(6) .
Ag6 Ag7 2.7878(10) .
Ag6 Ag10 3.1655(16) .
Ag7 O15 2.256(7) .
Ag7 C4 2.269(9) .
Ag7 O14 2.265(6) .
Ag7 Ag8 2.8067(10) .
Ag7 Ag10 3.3725(17) .
Ag8 C4 2.265(10) .
Ag8 O17 2.265(6) .
Ag8 O16 2.289(7) .
Ag8 O19 2.398(9) .
C1 C2 1.219(13) .
C2 C3 1.379(13) .
C3 C4 1.227(13) .
Ag9 N2D 2.147(8) .
Ag9 N4 2.164(9) .
Ag10 N8D 2.143(9) .
Ag10 N2 2.146(9) .
Ag11 N6D 2.112(8) .
Ag11 N8 2.146(9) .
Ag12 N6 2.071(9) .
Ag12 N4D 2.142(9) .
N1 C25 1.313(12) .
N1 C26 1.358(10) .
N1 H1 0.8600 .
N2 C25 1.333(13) .
N2 N2D 1.409(12) .
N2D C26 1.308(13) .
C25 H25 0.9300 .
C26 H26 0.9300 .
N3 C27 1.332(11) .
N3 C28 1.326(13) .
N3 H3 0.8600 .
N4 C27 1.305(13) .
N4 N4D 1.416(13) .
N4D C28 1.306(13) .
C27 H27 0.9300 .
C28 H28 0.9300 .
N5 C30 1.331(12) .
N5 C29 1.324(13) .
N5 H5 0.8600 .
N6 C29 1.329(12) .
N6 N6D 1.378(11) .
N6D C30 1.340(13) .
C29 H29 0.9300 .
C30 H30 0.9300 .
N7 C32 1.345(12) .
N7 C31 1.338(13) .
N7 H7 0.8600 .
N8 C31 1.344(12) .
N8 N8D 1.403(13) .
N8D C32 1.323(13) .
C31 H31 0.9300 .
C32 H32 0.9300 .
O1 C5 1.241(9) .
O2 C5 1.237(10) .
C5 C6 1.544(12) .
C6 F3 1.293(11) .
C6 F2 1.316(11) .
C6 F1 1.331(10) .
O3 C7 1.244(11) .
O4 C7 1.235(11) .
C7 C8 1.527(11) .
C8 F6 1.335(11) .
C8 F4 1.315(12) .
C8 F5 1.351(12) .
O5 C9 1.237(10) .
O6 C9 1.241(10) .
C9 C10 1.539(13) .
C10 F8 1.227(15) .
C10 F7 1.277(12) .
C10 F9 1.367(16) .
O7 C11 1.238(11) .
O8 C11 1.235(11) .
C11 C12 1.539(12) .
C12 F11 1.255(14) .
C12 F10 1.266(17) .
C12 F12 1.329(13) .
O9 C13 1.30(2) .
O10 C13 1.149(17) .
C13 C14 1.446(19) .
C14 F14 1.27(2) .
C14 F13 1.28(2) .
C14 F15 1.33(2) .
O11 C15 1.247(10) .
O12 C15 1.229(10) .
C15 C16 1.538(12) .
C16 F16 1.311(10) .
C16 F17 1.324(11) .
C16 F18 1.333(12) .
O13 C17 1.212(12) .
O14 C17 1.269(12) .
C17 C18 1.526(14) .
C18 F20 1.301(17) .
C18 F21 1.306(18) .
C18 F19 1.315(15) .
O15 C19 1.241(11) .
O16 C19 1.240(10) .
C19 C20 1.534(13) .
C20 F24 1.311(12) .
C20 F23 1.323(14) .
C20 F22 1.326(12) .
O17 C21 1.243(11) .
O18 C21 1.223(11) .
C21 C22 1.511(15) .
C22 F25 1.187(13) .
C22 F27 1.243(13) .
C22 F26 1.468(19) .
O19 C23 1.225(12) .
O20 C23 1.265(12) .
C23 C24 1.521(17) .
C24 F30 1.297(15) .
C24 F28 1.303(15) .
C24 F29 1.320(14) .
Ag13 N12 2.093(8) .
Ag13 N10 2.096(8) .
N9 C35 1.339(13) .
N9 C34 1.364(16) .
N9 H9 0.8600 .
N10 C35 1.322(14) .
N10 C33 1.341(13) .
C33 C34 1.355(15) .
C33 H33 0.9300 .
C34 H34 0.9300 .
C35 H35 0.9300 .
N11 C38 1.324(12) .
N11 C36 1.343(14) .
N11 H11 0.8600 .
N12 C38 1.302(12) .
N12 C37 1.360(13) .
C36 C37 1.346(15) .
C36 H36 0.9300 .
C37 H37 0.9300 .
C38 H38 0.9300 .
Ag14 N15 2.095(8) .
Ag14 N13 2.099(7) .
N13 C39 1.321(12) .
N13 C41 1.358(12) .
N14 C39 1.331(11) .
N14 C40 1.363(12) .
N14 H14 0.8600 .
C39 H39 0.9300 .
C40 C41 1.361(13) .
C40 H40 0.9300 .
C41 H41 0.9300 .
N15 C44 1.321(12) .
N15 C42 1.363(12) .
N16 C43 1.356(13) .
N16 C42 1.349(13) .
N16 H16 0.8600 .
C42 H42 0.9300 .
C43 C44 1.318(12) .
C43 H43 0.9300 .
C44 H44 0.9300 .
Ag15 O21 2.267(6) .
Ag15 O28 2.277(6) .
Ag15 C45 2.272(8) .
Ag15 Ag18 2.8290(9) .
Ag15 Ag16 2.8529(9) .
Ag15 Ag20 3.105(2) .
Ag16 O22 2.291(7) .
Ag16 O23 2.306(6) .
Ag16 C45 2.352(9) .
Ag16 O29 2.403(7) .
Ag16 Ag17 2.7867(11) .
Ag17 O24 2.243(5) .
Ag17 O25 2.325(6) .
Ag17 O30 2.395(7) .
Ag17 C45 2.564(10) .
Ag17 Ag18 2.8024(11) .
Ag18 C45 2.239(8) .
Ag18 O27 2.288(6) .
Ag18 O26 2.312(6) .
Ag18 Ag21 3.3231(14) .
C45 C46 1.211(12) .
C46 C46 1.381(18) 2_765
Ag20 N20 2.108(9) .
Ag20 N18 2.135(9) .
Ag21 N20D 2.072(8) .
Ag21 N18D 2.137(8) 2_765
N17 C57 1.330(13) .
N17 C58 1.336(11) .
N17 H17 0.8600 .
N18D C58 1.318(12) .
N18D N18 1.411(12) .
N18D Ag21 2.137(8) 2_765
N18 C57 1.328(13) .
C57 H57 0.9300 .
C58 H58 0.9300 .
N19 C60 1.324(12) .
N19 C59 1.354(13) .
N19 H19 0.8600 .
N20D C60 1.333(12) .
N20D N20 1.406(12) .
N20 C59 1.345(12) .
C59 H59 0.9300 .
C60 H60 0.9300 .
O21 C47 1.248(9) .
O22 C47 1.237(10) .
C47 C48 1.533(12) .
C48 F31 1.322(12) .
C48 F32 1.310(11) .
C48 F33 1.321(10) .
O23 C49 1.261(11) .
O24 C49 1.227(10) .
C49 C50 1.541(11) .
C50 F34 1.240(12) .
C50 F35 1.274(12) .
C50 F36 1.356(15) .
O25 C51 1.229(10) .
O26 C51 1.255(10) .
C51 C52 1.539(13) .
C52 F39 1.303(11) .
C52 F37 1.299(14) .
C52 F38 1.331(14) .
O27 C53 1.252(10) .
O28 C53 1.226(10) .
C53 C54 1.539(12) .
C54 F40 1.319(14) .
C54 F42 1.332(12) .
C54 F41 1.317(13) .
O29 C55 1.207(12) .
O30 C55 1.251(12) .
C55 C56 1.533(15) .
C56 F43 1.256(14) .
C56 F45 1.325(15) .
C56 F44 1.407(15) .
Ag19 N21 2.081(7) .
Ag19 N23 2.096(6) .
N21 C64 1.271(13) .
N21 C66 1.398(13) .
N22 C65 1.347(15) .
N22 C64 1.350(13) .
N22 H22 0.8600 .
C61 N23 1.320(11) .
C61 N24 1.338(10) .
C61 H61 0.9300 .
C62 N23 1.382(11) .
C62 C63 1.363(12) .
C62 H62 0.9300 .
C63 N24 1.345(11) .
C63 H63 0.9300 .
N24 H24 0.8600 .
C64 H64 0.9300 .
C65 C66 1.352(14) .
C65 H65 0.9300 .
C66 H66 0.9300 .
