#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:15:50 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180384 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/53/7205314.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_7205314
loop_
_publ_author_name
'Cheng, Xian'
'Liu, Tao'
'Duan, Xianying'
'Wang, Fangming'
'Meng, Qingjin'
'Lu, Changsheng'
_publ_section_title
;
 A novel 2D coordination polymer with unprecedented [Ag]7 chains and
 two 3D silver--organic frameworks constructed by
 methylenediisophthalic acid (H4MDIP) with strong Ag--Ag interactions
;
_journal_issue                   5
_journal_name_full               CrystEngComm
_journal_page_first              1314
_journal_paper_doi               10.1039/c0ce00360c
_journal_volume                  13
_journal_year                    2011
_chemical_formula_moiety         'C62 H43 Ag8 N8 O16'
_chemical_formula_sum            'C62 H43 Ag8 N8 O16'
_chemical_formula_weight         2019.00
_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                84.391(2)
_cell_angle_beta                 83.6660(10)
_cell_angle_gamma                76.304(3)
_cell_formula_units_Z            2
_cell_length_a                   12.561(2)
_cell_length_b                   13.1448(12)
_cell_length_c                   18.7697(18)
_cell_measurement_reflns_used    7230
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      27.88
_cell_measurement_theta_min      2.17
_cell_volume                     2984.4(6)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0236
_diffrn_reflns_av_sigmaI/netI    0.0647
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            16193
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.92
_exptl_absorpt_coefficient_mu    2.647
_exptl_absorpt_correction_T_max  0.56
_exptl_absorpt_correction_T_min  0.47
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            colouress
_exptl_crystal_density_diffrn    2.247
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       pin
_exptl_crystal_F_000             1950
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.871
_refine_diff_density_min         -1.629
_refine_diff_density_rms         0.168
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     847
_refine_ls_number_reflns         11455
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0871
_refine_ls_R_factor_gt           0.0582
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.07P)²+1.55P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1224
_refine_ls_wR_factor_ref         0.1287
_reflns_number_gt                8256
_reflns_number_total             11455
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0CE00360C.TXT
_cod_data_source_block           11
_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 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        2984.3(6)
_cod_original_sg_symbol_H-M      'P-1 '
_cod_database_code               7205314
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 -0.45800(5) 0.54994(5) 0.77601(3) 0.03559(15) Uani 1 1 d . . .
Ag2 Ag -0.22862(5) 0.57081(5) 0.70518(3) 0.03557(15) Uani 1 1 d . . .
Ag3 Ag 0.00895(5) 0.52421(5) 0.78068(3) 0.03447(15) Uani 1 1 d . . .
Ag4 Ag 0.20615(5) 0.39735(5) 0.70958(3) 0.03686(15) Uani 1 1 d . . .
Ag5 Ag 0.38981(5) 0.19599(5) 0.78256(3) 0.03348(14) Uani 1 1 d . . .
Ag6 Ag 0.48451(5) 0.00494(5) 0.71743(3) 0.03902(16) Uani 1 1 d . . .
Ag7 Ag 0.62948(5) -0.18715(5) 0.78181(3) 0.03805(15) Uani 1 1 d . . .
Ag8 Ag 0.09934(5) 0.18550(5) 1.23994(3) 0.03686(15) Uani 1 1 d . . .
C1 C -0.6410(7) 0.7566(6) 0.7676(5) 0.041(2) Uani 1 1 d . . .
H1 H -0.5980 0.7959 0.7847 0.049 Uiso 1 1 calc R . .
C2 C -0.6894(7) 0.6284(7) 0.7318(5) 0.0421(19) Uani 1 1 d . . .
H2 H -0.6888 0.5612 0.7199 0.050 Uiso 1 1 calc R . .
C3 C -0.7673(7) 0.7130(6) 0.7211(4) 0.0356(18) Uani 1 1 d . . .
H3 H -0.8320 0.7162 0.7003 0.043 Uiso 1 1 calc R . .
C4 C -0.8013(7) 0.9042(6) 0.7417(4) 0.0400(19) Uani 1 1 d . . .
H4A H -0.7866 0.9390 0.7815 0.048 Uiso 1 1 calc R . .
H4B H -0.8788 0.9031 0.7476 0.048 Uiso 1 1 calc R . .
C5 C -0.7797(7) 0.9680(7) 0.6732(5) 0.0407(19) Uani 1 1 d . . .
C6 C -0.8056(7) 1.0766(7) 0.6751(5) 0.044(2) Uani 1 1 d . . .
H6 H -0.8251 1.1068 0.7188 0.053 Uiso 1 1 calc R . .
C7 C -0.8022(8) 1.1400(7) 0.6115(5) 0.046(2) Uani 1 1 d . . .
H7 H -0.8195 1.2127 0.6127 0.056 Uiso 1 1 calc R . .
C8 C -0.7730(7) 1.0949(7) 0.5461(5) 0.045(2) Uani 1 1 d . . .
H8 H -0.7707 1.1374 0.5036 0.054 Uiso 1 1 calc R . .
C9 C -0.7471(7) 0.9863(7) 0.5443(5) 0.043(2) Uani 1 1 d . . .
C10 C -0.7505(6) 0.9228(7) 0.6079(4) 0.0393(18) Uani 1 1 d . . .
H10 H -0.7332 0.8502 0.6066 0.047 Uiso 1 1 calc R . .
C11 C -0.7113(7) 0.9402(7) 0.4744(5) 0.043(2) Uani 1 1 d . . .
H11 H -0.6452 0.8917 0.4650 0.052 Uiso 1 1 calc R . .
C12 C -0.7810(7) 1.0491(7) 0.3646(5) 0.046(2) Uani 1 1 d . . .
H12 H -0.7175 1.0721 0.3482 0.055 Uiso 1 1 calc R . .
C13 C -0.9440(7) 1.0305(6) 0.3748(4) 0.0364(18) Uani 1 1 d . . .
H13 H -1.0179 1.0417 0.3673 0.044 Uiso 1 1 calc R . .
C14 C -0.8953(7) 0.9650(7) 0.4253(5) 0.0408(19) Uani 1 1 d . . .
H14 H -0.9264 0.9184 0.4565 0.049 Uiso 1 1 calc R . .
C15 C -0.2467(8) 0.3585(7) 0.7736(5) 0.045(2) Uani 1 1 d . . .
H15 H -0.2021 0.3901 0.7963 0.055 Uiso 1 1 calc R . .
C16 C -0.3919(8) 0.3254(6) 0.7314(4) 0.0397(19) Uani 1 1 d . . .
H16 H -0.4631 0.3300 0.7198 0.048 Uiso 1 1 calc R . .
C17 C -0.3022(7) 0.2438(7) 0.7209(5) 0.0424(19) Uani 1 1 d . . .
H17 H -0.3027 0.1831 0.6994 0.051 Uiso 1 1 calc R . .
C18 C -0.1026(7) 0.1973(7) 0.7386(4) 0.0376(18) Uani 1 1 d . . .
H18A H -0.0548 0.2375 0.7106 0.045 Uiso 1 1 calc R . .
H18B H -0.1029 0.1377 0.7120 0.045 Uiso 1 1 calc R . .
C19 C -0.0561(8) 0.1580(6) 0.8074(5) 0.042(2) Uani 1 1 d . . .
C20 C -0.0011(7) 0.2207(6) 0.8422(5) 0.0409(19) Uani 1 1 d . . .
H20 H -0.0009 0.2891 0.8241 0.049 Uiso 1 1 calc R . .
C21 C 0.0522(7) 0.1781(7) 0.9035(4) 0.0398(19) Uani 1 1 d . . .
C22 C 0.0583(8) 0.0775(7) 0.9271(5) 0.047(2) Uani 1 1 d . . .
H22 H 0.0940 0.0499 0.9680 0.056 Uiso 1 1 calc R . .
C23 C 0.0117(8) 0.0143(7) 0.8910(5) 0.047(2) Uani 1 1 d . . .
H23 H 0.0226 -0.0570 0.9047 0.056 Uiso 1 1 calc R . .
C24 C -0.0511(7) 0.0571(7) 0.8345(5) 0.044(2) Uani 1 1 d . . .
H24 H -0.0903 0.0165 0.8149 0.053 Uiso 1 1 calc R . .
C25 C 0.1041(7) 0.2501(7) 0.9388(4) 0.043(2) Uani 1 1 d . . .
H25A H 0.0867 0.3202 0.9152 0.052 Uiso 1 1 calc R . .
H25B H 0.1834 0.2248 0.9350 0.052 Uiso 1 1 calc R . .
C26 C 0.1146(6) 0.2245(6) 1.0738(4) 0.0319(16) Uani 1 1 d . . .
H26 H 0.1903 0.1974 1.0712 0.038 Uiso 1 1 calc R . .
C27 C -0.0492(7) 0.3002(7) 1.0389(5) 0.041(2) Uani 1 1 d . . .
H27 H -0.1052 0.3323 1.0100 0.050 Uiso 1 1 calc R . .
C28 C -0.0551(7) 0.2884(6) 1.1157(5) 0.042(2) Uani 1 1 d . . .
H28 H -0.1167 0.3089 1.1478 0.050 Uiso 1 1 calc R . .
C29 C 0.0396(7) 0.6429(6) 0.5490(4) 0.0380(19) Uani 1 1 d . . .
C30 C -0.0114(6) 0.6337(6) 0.4897(4) 0.0338(17) Uani 1 1 d . . .
H30 H -0.0877 0.6462 0.4928 0.041 Uiso 1 1 calc R . .
C31 C 0.0479(6) 0.6067(6) 0.4266(4) 0.0316(16) Uani 1 1 d . . .
C32 C 0.1627(6) 0.5911(6) 0.4206(4) 0.0302(15) Uani 1 1 d . . .
H32 H 0.2026 0.5761 0.3766 0.036 Uiso 1 1 calc R . .
C33 C 0.2178(7) 0.5981(6) 0.4802(4) 0.0337(17) Uani 1 1 d . . .
C34 C 0.3411(7) 0.5663(7) 0.4719(5) 0.0401(19) Uani 1 1 d . . .
H34A H 0.3710 0.5955 0.5086 0.048 Uiso 1 1 calc R . .
H34B H 0.3686 0.5930 0.4252 0.048 Uiso 1 1 calc R . .
C35 C 0.3762(6) 0.4478(6) 0.4790(4) 0.0325(16) Uani 1 1 d . . .
C36 C 0.3937(7) 0.3899(6) 0.4175(4) 0.041(2) Uani 1 1 d . . .
H36 H 0.3859 0.4266 0.3727 0.049 Uiso 1 1 calc R . .
C37 C 0.4225(7) 0.2793(6) 0.4205(4) 0.0361(17) Uani 1 1 d . . .
C38 C 0.4429(7) 0.2255(6) 0.4893(4) 0.0353(17) Uani 1 1 d . . .
H38 H 0.4691 0.1530 0.4929 0.042 Uiso 1 1 calc R . .
C39 C 0.4233(7) 0.2825(7) 0.5534(4) 0.0368(18) Uani 1 1 d . . .
C40 C 0.3903(6) 0.3935(6) 0.5443(4) 0.0335(17) Uani 1 1 d . . .
H40 H 0.3777 0.4313 0.5849 0.040 Uiso 1 1 calc R . .
C41 C -0.0206(7) 0.6590(7) 0.6233(4) 0.042(2) Uani 1 1 d . . .
C42 C -0.0106(7) 0.5913(6) 0.3638(4) 0.0342(17) Uani 1 1 d . . .
C43 C 0.4297(7) 0.2217(7) 0.3606(4) 0.0394(18) Uani 1 1 d . . .
C44 C 0.4362(6) 0.2238(6) 0.6221(4) 0.0349(17) Uani 1 1 d . . .
C45 C 0.6396(6) 0.0490(6) 0.9174(4) 0.0353(17) Uani 1 1 d . . .
C46 C 0.6380(6) -0.0049(6) 0.9855(4) 0.0338(16) Uani 1 1 d . . .
H46 H 0.6420 -0.0768 0.9893 0.041 Uiso 1 1 calc R . .
C47 C 0.6305(6) 0.0469(6) 1.0470(4) 0.0327(16) Uani 1 1 d . . .
C48 C 0.6217(6) 0.1573(6) 1.0402(4) 0.0318(16) Uani 1 1 d . . .
H48 H 0.6182 0.1918 1.0817 0.038 Uiso 1 1 calc R . .
C49 C 0.6182(7) 0.2127(6) 0.9778(5) 0.0419(19) Uani 1 1 d . . .
C50 C 0.6310(7) 0.1597(6) 0.9123(4) 0.0385(18) Uani 1 1 d . . .
H50 H 0.6336 0.1971 0.8677 0.046 Uiso 1 1 calc R . .
C51 C 0.5930(6) 0.3330(6) 0.9711(4) 0.0327(16) Uani 1 1 d . . .
H51A H 0.6251 0.3583 1.0086 0.039 Uiso 1 1 calc R . .
H51B H 0.6238 0.3579 0.9249 0.039 Uiso 1 1 calc R . .
C52 C 0.4680(6) 0.3732(6) 0.9783(4) 0.0323(16) Uani 1 1 d . . .
C53 C 0.4133(6) 0.3895(6) 1.0440(4) 0.0368(18) Uani 1 1 d . . .
H53 H 0.4511 0.3799 1.0850 0.044 Uiso 1 1 calc R . .
C54 C 0.2972(6) 0.4213(5) 1.0488(4) 0.0280(15) Uani 1 1 d . . .
C55 C 0.2405(7) 0.4402(6) 0.9873(4) 0.0379(18) Uani 1 1 d . . .
H55 H 0.1643 0.4632 0.9916 0.045 Uiso 1 1 calc R . .
C56 C 0.2972(6) 0.4249(5) 0.9188(4) 0.0285(15) Uani 1 1 d . . .
C57 C 0.4137(7) 0.3926(7) 0.9165(5) 0.042(2) Uani 1 1 d . . .
H57 H 0.4546 0.3843 0.8721 0.051 Uiso 1 1 calc R . .
C58 C 0.6417(7) -0.0030(6) 0.8513(4) 0.0380(18) Uani 1 1 d . . .
C59 C 0.6205(7) -0.0116(7) 1.1195(4) 0.0389(18) Uani 1 1 d . . .
C60 C 0.2358(7) 0.4331(6) 1.1191(4) 0.0367(18) Uani 1 1 d . . .
C61 C 0.2450(6) 0.4378(6) 0.8540(4) 0.0328(16) Uani 1 1 d . . .
C84 C 0.1604(7) 0.6232(6) 0.5423(4) 0.0361(17) Uani 1 1 d . . .
H84 H 0.1969 0.6284 0.5818 0.043 Uiso 1 1 calc R . .
N1 N -0.6112(5) 0.6564(5) 0.7631(3) 0.0315(14) Uani 1 1 d . . .
N2 N -0.7367(6) 0.7962(5) 0.7457(3) 0.0336(14) Uani 1 1 d . . .
N3 N -0.7898(6) 0.9786(5) 0.4230(3) 0.0351(14) Uani 1 1 d . . .
N4 N -0.8722(5) 1.0785(5) 0.3361(4) 0.0369(15) Uani 1 1 d . . .
N5 N -0.3536(5) 0.4005(5) 0.7633(3) 0.0364(15) Uani 1 1 d . . .
N6 N -0.2142(6) 0.2632(5) 0.7457(4) 0.0386(16) Uani 1 1 d . . .
N7 N 0.0598(6) 0.2526(6) 1.0173(4) 0.0393(16) Uani 1 1 d . . .
N8 N 0.0549(5) 0.2378(5) 1.1328(4) 0.0361(15) Uani 1 1 d . . .
O1 O 0.0270(5) 0.6577(4) 0.6756(3) 0.0371(12) Uani 1 1 d . . .
O2 O -0.1243(5) 0.6686(5) 0.6235(3) 0.0388(13) Uani 1 1 d . . .
O3 O -0.1153(4) 0.6065(4) 0.3731(3) 0.0369(12) Uani 1 1 d . . .
O4 O 0.0442(4) 0.5705(4) 0.3043(3) 0.0336(12) Uani 1 1 d . . .
O5 O 0.3859(5) 0.2778(5) 0.3071(3) 0.0470(15) Uani 1 1 d . . .
O6 O 0.4586(6) 0.1266(5) 0.3657(4) 0.0554(17) Uani 1 1 d . . .
O7 O 0.4679(5) 0.1181(5) 0.6277(3) 0.0444(14) Uani 1 1 d . . .
O8 O 0.3952(4) 0.2743(4) 0.6784(3) 0.0340(12) Uani 1 1 d . . .
O9 O 0.6266(5) 0.0435(4) 0.7944(3) 0.0381(13) Uani 1 1 d . . .
O10 O 0.6620(4) -0.1086(4) 0.8624(3) 0.0366(12) Uani 1 1 d . . .
O11 O 0.6156(5) -0.1041(4) 1.1203(3) 0.0380(13) Uani 1 1 d . . .
O12 O 0.6018(4) 0.0393(4) 1.1740(3) 0.0334(12) Uani 1 1 d . . .
O13 O 0.2874(4) 0.3965(4) 1.1757(3) 0.0313(11) Uani 1 1 d . . .
O14 O 0.1329(5) 0.4783(5) 1.1251(3) 0.0457(14) Uani 1 1 d . . .
O15 O 0.1413(4) 0.4780(4) 0.8590(3) 0.0323(11) Uani 1 1 d . . .
O16 O 0.2959(4) 0.3960(4) 0.7999(3) 0.0375(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'
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'
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
N5 Ag1 N1 149.8(3) . . ?
N5 Ag1 Ag2 69.53(18) . . ?
N1 Ag1 Ag2 127.47(15) . . ?
O13 Ag2 O2 126.15(18) 2_567 . ?
O13 Ag2 O5 77.82(18) 2_567 2_566 ?
O2 Ag2 O5 87.0(2) . 2_566 ?
O13 Ag2 Ag1 57.09(13) 2_567 . ?
O2 Ag2 Ag1 147.60(14) . . ?
O5 Ag2 Ag1 61.35(16) 2_566 . ?
O13 Ag2 Ag3 77.68(13) 2_567 . ?
O2 Ag2 Ag3 78.16(14) . . ?
O5 Ag2 Ag3 135.18(15) 2_566 . ?
Ag1 Ag2 Ag3 128.51(2) . . ?
O15 Ag3 O4 131.84(18) . 2_566 ?
O15 Ag3 O14 91.83(19) . 2_567 ?
O4 Ag3 O14 101.2(2) 2_566 2_567 ?
O15 Ag3 O1 119.98(18) . . ?
O4 Ag3 O1 84.85(18) 2_566 . ?
O14 Ag3 O1 131.05(19) 2_567 . ?
O15 Ag3 Ag4 71.00(13) . . ?
O4 Ag3 Ag4 71.55(12) 2_566 . ?
O14 Ag3 Ag4 143.93(15) 2_567 . ?
O1 Ag3 Ag4 84.35(13) . . ?
O15 Ag3 Ag2 164.02(13) . . ?
O4 Ag3 Ag2 50.82(13) 2_566 . ?
O14 Ag3 Ag2 72.69(14) 2_567 . ?
O1 Ag3 Ag2 74.69(13) . . ?
Ag4 Ag3 Ag2 119.46(3) . . ?
O3 Ag4 O16 176.7(2) 2_566 . ?
O3 Ag4 O8 105.42(19) 2_566 . ?
O16 Ag4 O8 75.49(18) . . ?
O3 Ag4 Ag3 87.61(15) 2_566 . ?
O16 Ag4 Ag3 91.19(14) . . ?
O8 Ag4 Ag3 165.81(11) . . ?
O3 Ag4 Ag5 126.90(15) 2_566 . ?
O16 Ag4 Ag5 52.00(14) . . ?
O8 Ag4 Ag5 39.09(10) . . ?
Ag3 Ag4 Ag5 127.84(3) . . ?
O11 Ag5 O8 173.7(2) 2_657 . ?
O11 Ag5 Ag6 86.43(17) 2_657 . ?
O8 Ag5 Ag6 87.85(14) . . ?
O11 Ag5 Ag4 132.44(17) 2_657 . ?
O8 Ag5 Ag4 50.13(13) . . ?
Ag6 Ag5 Ag4 124.76(3) . . ?
O7 Ag6 O12 142.7(2) . 2_657 ?
O7 Ag6 O6 87.7(2) . 2_656 ?
O12 Ag6 O6 117.5(2) 2_657 2_656 ?
O7 Ag6 O9 107.9(2) . . ?
O12 Ag6 O9 84.31(17) 2_657 . ?
O6 Ag6 O9 119.5(2) 2_656 . ?
O7 Ag6 Ag5 77.21(15) . . ?
O12 Ag6 Ag5 73.43(14) 2_657 . ?
O6 Ag6 Ag5 163.75(16) 2_656 . ?
O9 Ag6 Ag5 71.74(12) . . ?
O7 Ag6 Ag7 144.80(15) . . ?
O12 Ag6 Ag7 72.53(14) 2_657 . ?
O6 Ag6 Ag7 68.65(16) 2_656 . ?
O9 Ag6 Ag7 66.23(13) . . ?
Ag5 Ag6 Ag7 127.52(3) . . ?
O10 Ag7 O5 173.7(2) . 2_656 ?
O10 Ag7 Ag6 92.57(14) . . ?
O5 Ag7 Ag6 91.33(15) 2_656 . ?
N8 Ag8 N4 157.7(3) . 1_646 ?
N2 C1 N1 112.5(7) . . ?
N2 C1 H1 123.7 . . ?
N1 C1 H1 123.7 . . ?
C3 C2 N1 107.4(7) . . ?
C3 C2 H2 126.3 . . ?
N1 C2 H2 126.3 . . ?
C2 C3 N2 108.2(7) . . ?
C2 C3 H3 125.9 . . ?
N2 C3 H3 125.9 . . ?
N2 C4 C5 115.0(6) . . ?
N2 C4 H4A 108.5 . . ?
C5 C4 H4A 108.5 . . ?
N2 C4 H4B 108.5 . . ?
C5 C4 H4B 108.5 . . ?
H4A C4 H4B 107.5 . . ?
C6 C5 C10 120.0(8) . . ?
C6 C5 C4 117.5(8) . . ?
C10 C5 C4 121.8(8) . . ?
C5 C6 C7 120.0(8) . . ?
C5 C6 H6 120.0 . . ?
C7 C6 H6 120.0 . . ?
C8 C7 C6 120.0(9) . . ?
C8 C7 H7 120.0 . . ?
C6 C7 H7 120.0 . . ?
C7 C8 C9 120.0(9) . . ?
C7 C8 H8 120.0 . . ?
C9 C8 H8 120.0 . . ?
C10 C9 C8 120.0(8) . . ?
C10 C9 C11 121.0(8) . . ?
C8 C9 C11 118.9(8) . . ?
C9 C10 C5 120.0(8) . . ?
C9 C10 H10 120.0 . . ?
C5 C10 H10 120.0 . . ?
N3 C11 C9 112.3(7) . . ?
N3 C11 H11 123.9 . . ?
C9 C11 H11 123.9 . . ?
N4 C12 N3 110.6(7) . . ?
N4 C12 H12 124.7 . . ?
N3 C12 H12 124.7 . . ?
C14 C13 N4 110.3(8) . . ?
C14 C13 H13 124.9 . . ?
N4 C13 H13 124.9 . . ?
C13 C14 N3 106.9(8) . . ?
C13 C14 H14 126.5 . . ?
N3 C14 H14 126.5 . . ?
N5 C15 N6 109.8(8) . . ?
N5 C15 H15 125.1 . . ?
N6 C15 H15 125.1 . . ?
C17 C16 N5 105.4(8) . . ?
C17 C16 H16 127.3 . . ?
N5 C16 H16 127.3 . . ?
N6 C17 C16 110.8(8) . . ?
N6 C17 H17 124.6 . . ?
C16 C17 H17 124.6 . . ?
N6 C18 C19 114.4(7) . . ?
N6 C18 H18A 108.7 . . ?
C19 C18 H18A 108.7 . . ?
N6 C18 H18B 108.7 . . ?
C19 C18 H18B 108.7 . . ?
H18A C18 H18B 107.6 . . ?
C24 C19 C20 118.1(8) . . ?
C24 C19 C18 121.1(8) . . ?
C20 C19 C18 120.2(8) . . ?
C21 C20 C19 119.5(8) . . ?
C21 C20 H20 120.3 . . ?
C19 C20 H20 120.3 . . ?
C22 C21 C20 120.5(9) . . ?
C22 C21 C25 123.0(8) . . ?
C20 C21 C25 116.4(8) . . ?
C21 C22 C23 120.3(8) . . ?
C21 C22 H22 119.8 . . ?
C23 C22 H22 119.8 . . ?
C22 C23 C24 120.3(8) . . ?
C22 C23 H23 119.9 . . ?
C24 C23 H23 119.9 . . ?
C19 C24 C23 120.7(9) . . ?
C19 C24 H24 119.6 . . ?
C23 C24 H24 119.6 . . ?
C21 C25 N7 108.6(7) . . ?
C21 C25 H25A 110.0 . . ?
N7 C25 H25A 110.0 . . ?
C21 C25 H25B 110.0 . . ?
N7 C25 H25B 110.0 . . ?
H25A C25 H25B 108.3 . . ?
N8 C26 N7 113.6(7) . . ?
N8 C26 H26 123.2 . . ?
N7 C26 H26 123.2 . . ?
N7 C27 C28 104.2(7) . . ?
N7 C27 H27 127.9 . . ?
C28 C27 H27 127.9 . . ?
C27 C28 N8 105.3(7) . . ?
C27 C28 H28 127.4 . . ?
N8 C28 H28 127.4 . . ?
C30 C29 C84 118.1(7) . . ?
C30 C29 C41 123.4(7) . . ?
C84 C29 C41 118.0(7) . . ?
C31 C30 C29 121.1(7) . . ?
C31 C30 H30 119.5 . . ?
C29 C30 H30 119.5 . . ?
C30 C31 C32 120.0(7) . . ?
C30 C31 C42 119.6(7) . . ?
C32 C31 C42 120.4(7) . . ?
C31 C32 C33 120.5(7) . . ?
C31 C32 H32 119.7 . . ?
C33 C32 H32 119.7 . . ?
C84 C33 C32 119.7(7) . . ?
C84 C33 C34 123.0(7) . . ?
C32 C33 C34 117.1(7) . . ?
C33 C34 C35 108.8(7) . . ?
C33 C34 H34A 109.9 . . ?
C35 C34 H34A 109.9 . . ?
C33 C34 H34B 109.9 . . ?
C35 C34 H34B 109.9 . . ?
H34A C34 H34B 108.3 . . ?
C40 C35 C36 118.0(7) . . ?
C40 C35 C34 121.6(7) . . ?
C36 C35 C34 120.4(7) . . ?
C37 C36 C35 123.4(7) . . ?
C37 C36 H36 118.3 . . ?
C35 C36 H36 118.3 . . ?
C43 C37 C36 123.3(7) . . ?
C43 C37 C38 119.8(7) . . ?
C36 C37 C38 116.9(7) . . ?
C37 C38 C39 120.8(7) . . ?
C37 C38 H38 119.6 . . ?
C39 C38 H38 119.6 . . ?
C40 C39 C44 124.2(7) . . ?
C40 C39 C38 117.2(7) . . ?
C44 C39 C38 118.5(7) . . ?
C35 C40 C39 123.5(7) . . ?
C35 C40 H40 118.3 . . ?
C39 C40 H40 118.3 . . ?
O1 C41 O2 125.2(8) . . ?
O1 C41 C29 122.2(8) . . ?
O2 C41 C29 112.5(7) . . ?
O4 C42 O3 123.4(7) . . ?
O4 C42 C31 119.4(7) . . ?
O3 C42 C31 117.1(7) . . ?
O6 C43 O5 125.8(8) . . ?
O6 C43 C37 120.6(8) . . ?
O5 C43 C37 112.6(7) . . ?
O8 C44 O7 120.2(7) . . ?
O8 C44 C39 116.6(7) . . ?
O7 C44 C39 121.8(7) . . ?
C46 C45 C50 119.0(7) . . ?
C46 C45 C58 122.2(7) . . ?
C50 C45 C58 118.7(7) . . ?
C47 C46 C45 121.0(7) . . ?
C47 C46 H46 119.5 . . ?
C45 C46 H46 119.5 . . ?
C46 C47 C48 118.8(7) . . ?
C46 C47 C59 119.7(7) . . ?
C48 C47 C59 121.2(7) . . ?
C49 C48 C47 122.7(8) . . ?
C49 C48 H48 118.6 . . ?
C47 C48 H48 118.6 . . ?
C48 C49 C50 119.5(7) . . ?
C48 C49 C51 122.7(8) . . ?
C50 C49 C51 117.6(7) . . ?
C45 C50 C49 118.8(7) . . ?
C45 C50 H50 120.6 . . ?
C49 C50 H50 120.6 . . ?
C52 C51 C49 107.9(7) . . ?
C52 C51 H51A 110.1 . . ?
C49 C51 H51A 110.1 . . ?
C52 C51 H51B 110.1 . . ?
C49 C51 H51B 110.1 . . ?
H51A C51 H51B 108.4 . . ?
C53 C52 C57 121.7(7) . . ?
C53 C52 C51 120.0(7) . . ?
C57 C52 C51 118.3(7) . . ?
C52 C53 C54 118.2(8) . . ?
C52 C53 H53 120.9 . . ?
C54 C53 H53 120.9 . . ?
C55 C54 C53 121.1(7) . . ?
C55 C54 C60 119.5(7) . . ?
C53 C54 C60 119.4(7) . . ?
C54 C55 C56 120.8(7) . . ?
C54 C55 H55 119.6 . . ?
C56 C55 H55 119.6 . . ?
C55 C56 C57 116.3(7) . . ?
C55 C56 C61 124.1(7) . . ?
C57 C56 C61 119.6(7) . . ?
C52 C57 C56 121.8(8) . . ?
C52 C57 H57 119.1 . . ?
C56 C57 H57 119.1 . . ?
O9 C58 O10 123.9(8) . . ?
O9 C58 C45 123.3(7) . . ?
O10 C58 C45 112.8(7) . . ?
O11 C59 O12 123.9(8) . . ?
O11 C59 C47 116.9(7) . . ?
O12 C59 C47 118.4(7) . . ?
O14 C60 O13 120.8(7) . . ?
O14 C60 C54 120.9(7) . . ?
O13 C60 C54 118.3(7) . . ?
O16 C61 O15 123.3(7) . . ?
O16 C61 C56 119.5(7) . . ?
O15 C61 C56 116.2(7) . . ?
C33 C84 C29 120.5(8) . . ?
C33 C84 H84 119.7 . . ?
C29 C84 H84 119.7 . . ?
C1 N1 C2 107.0(7) . . ?
C1 N1 Ag1 131.0(5) . . ?
C2 N1 Ag1 120.6(5) . . ?
C1 N2 C3 104.6(7) . . ?
C1 N2 C4 130.8(7) . . ?
C3 N2 C4 124.5(7) . . ?
C14 N3 C12 104.4(7) . . ?
C14 N3 C11 128.2(7) . . ?
C12 N3 C11 126.8(7) . . ?
C12 N4 C13 107.5(7) . . ?
C12 N4 Ag8 125.3(6) . 1_464 ?
C13 N4 Ag8 127.2(6) . 1_464 ?
C15 N5 C16 106.9(7) . . ?
C15 N5 Ag1 133.8(6) . . ?
C16 N5 Ag1 119.0(5) . . ?
C17 N6 C15 107.0(8) . . ?
C17 N6 C18 125.7(7) . . ?
C15 N6 C18 127.1(7) . . ?
C26 N7 C27 109.2(7) . . ?
C26 N7 C25 128.1(7) . . ?
C27 N7 C25 122.3(7) . . ?
C26 N8 C28 107.5(7) . . ?
C26 N8 Ag8 128.4(6) . . ?
C28 N8 Ag8 124.0(5) . . ?
C41 O1 Ag3 119.8(5) . . ?
C41 O2 Ag2 124.0(5) . . ?
C42 O3 Ag4 121.3(5) . 2_566 ?
C42 O4 Ag3 123.4(5) . 2_566 ?
C43 O5 Ag7 114.1(5) . 2_656 ?
C43 O5 Ag2 134.3(5) . 2_566 ?
Ag7 O5 Ag2 101.4(2) 2_656 2_566 ?
C43 O6 Ag6 134.8(6) . 2_656 ?
C44 O7 Ag6 132.8(5) . . ?
C44 O8 Ag5 121.5(5) . . ?
C44 O8 Ag4 132.0(5) . . ?
Ag5 O8 Ag4 90.78(17) . . ?
C58 O9 Ag6 120.2(6) . . ?
C58 O10 Ag7 116.3(5) . . ?
C59 O11 Ag5 120.5(5) . 2_657 ?
C59 O12 Ag6 126.7(5) . 2_657 ?
C60 O13 Ag2 127.8(5) . 2_567 ?
C60 O14 Ag3 132.7(5) . 2_567 ?
C61 O15 Ag3 135.4(5) . . ?
C61 O16 Ag4 117.8(5) . . ?
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 N5 2.107(7) . ?
Ag1 N1 2.117(6) . ?
Ag1 Ag2 3.0987(10) . ?
Ag2 O13 2.325(5) 2_567 ?
Ag2 O2 2.385(6) . ?
Ag2 O5 2.463(6) 2_566 ?
Ag2 Ag3 3.3445(10) . ?
Ag3 O15 2.275(5) . ?
Ag3 O4 2.357(6) 2_566 ?
Ag3 O14 2.372(6) 2_567 ?
Ag3 O1 2.536(5) . ?
Ag3 Ag4 2.9063(9) . ?
Ag4 O3 2.036(6) 2_566 ?
Ag4 O16 2.133(6) . ?
Ag4 O8 2.580(5) . ?
Ag4 Ag5 3.3617(8) . ?
Ag5 O11 2.090(5) 2_657 ?
Ag5 O8 2.120(5) . ?
Ag5 Ag6 2.8426(9) . ?
Ag6 O7 2.129(6) . ?
Ag6 O12 2.291(5) 2_657 ?
Ag6 O6 2.373(6) 2_656 ?
Ag6 O9 2.583(6) . ?
Ag6 Ag7 2.9771(9) . ?
Ag7 O10 2.040(6) . ?
Ag7 O5 2.193(6) 2_656 ?
Ag8 N8 2.151(7) . ?
Ag8 N4 2.185(6) 1_646 ?
C1 N2 1.286(10) . ?
C1 N1 1.290(10) . ?
C1 H1 0.9300 . ?
C2 C3 1.311(12) . ?
C2 N1 1.337(10) . ?
C2 H2 0.9300 . ?
C3 N2 1.376(10) . ?
C3 H3 0.9300 . ?
C4 N2 1.459(10) . ?
C4 C5 1.499(11) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.390(12) . ?
C5 C10 1.390(12) . ?
C6 C7 1.390(13) . ?
C6 H6 0.9300 . ?
C7 C8 1.390(13) . ?
C7 H7 0.9300 . ?
C8 C9 1.390(13) . ?
C8 H8 0.9300 . ?
C9 C10 1.390(12) . ?
C9 C11 1.479(12) . ?
C10 H10 0.9300 . ?
C11 N3 1.428(11) . ?
C11 H11 0.9300 . ?
C12 N4 1.277(11) . ?
C12 N3 1.376(10) . ?
C12 H12 0.9300 . ?
C13 C14 1.315(12) . ?
C13 N4 1.332(10) . ?
C13 H13 0.9300 . ?
C14 N3 1.374(11) . ?
C14 H14 0.9300 . ?
C15 N5 1.353(11) . ?
C15 N6 1.360(10) . ?
C15 H15 0.9300 . ?
C16 C17 1.371(12) . ?
C16 N5 1.403(11) . ?
C16 H16 0.9300 . ?
C17 N6 1.331(11) . ?
C17 H17 0.9300 . ?
C18 N6 1.463(10) . ?
C18 C19 1.472(12) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C24 1.363(12) . ?
C19 C20 1.434(12) . ?
C20 C21 1.397(11) . ?
C20 H20 0.9300 . ?
C21 C22 1.340(12) . ?
C21 C25 1.506(13) . ?
C22 C23 1.386(14) . ?
C22 H22 0.9300 . ?
C23 C24 1.386(13) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 N7 1.516(10) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 N8 1.268(10) . ?
C26 N7 1.304(10) . ?
C26 H26 0.9300 . ?
C27 N7 1.398(11) . ?
C27 C28 1.431(12) . ?
C27 H27 0.9300 . ?
C28 N8 1.440(10) . ?
C28 H28 0.9300 . ?
C29 C30 1.373(12) . ?
C29 C84 1.471(11) . ?
C29 C41 1.521(11) . ?
C30 C31 1.358(10) . ?
C30 H30 0.9300 . ?
C31 C32 1.401(10) . ?
C31 C42 1.510(11) . ?
C32 C33 1.401(10) . ?
C32 H32 0.9300 . ?
C33 C84 1.327(11) . ?
C33 C34 1.500(11) . ?
C34 C35 1.512(11) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C35 C40 1.364(11) . ?
C35 C36 1.413(11) . ?
C36 C37 1.410(11) . ?
C36 H36 0.9300 . ?
C37 C43 1.399(11) . ?
C37 C38 1.428(10) . ?
C38 C39 1.448(11) . ?
C38 H38 0.9300 . ?
C39 C40 1.418(12) . ?
C39 C44 1.441(10) . ?
C40 H40 0.9300 . ?
C41 O1 1.201(10) . ?
C41 O2 1.278(10) . ?
C42 O4 1.263(9) . ?
C42 O3 1.278(9) . ?
C43 O6 1.214(10) . ?
C43 O5 1.280(10) . ?
C44 O8 1.296(9) . ?
C44 O7 1.349(10) . ?
C45 C46 1.400(11) . ?
C45 C50 1.428(11) . ?
C45 C58 1.469(11) . ?
C46 C47 1.380(11) . ?
C46 H46 0.9300 . ?
C47 C48 1.424(11) . ?
C47 C59 1.505(11) . ?
C48 C49 1.318(11) . ?
C48 H48 0.9300 . ?
C49 C50 1.446(12) . ?
C49 C51 1.532(11) . ?
C50 H50 0.9300 . ?
C51 C52 1.528(10) . ?
C51 H51A 0.9700 . ?
C51 H51B 0.9700 . ?
C52 C53 1.355(11) . ?
C52 C57 1.383(12) . ?
C53 C54 1.414(10) . ?
C53 H53 0.9300 . ?
C54 C55 1.393(11) . ?
C54 C60 1.457(10) . ?
C55 C56 1.407(11) . ?
C55 H55 0.9300 . ?
C56 C57 1.421(11) . ?
C56 C61 1.423(11) . ?
C57 H57 0.9300 . ?
C58 O9 1.188(10) . ?
C58 O10 1.350(10) . ?
C59 O11 1.230(10) . ?
C59 O12 1.247(10) . ?
C60 O14 1.286(9) . ?
C60 O13 1.297(10) . ?
C61 O16 1.242(9) . ?
C61 O15 1.281(9) . ?
C84 H84 0.9300 . ?
N4 Ag8 2.185(6) 1_464 ?
O3 Ag4 2.036(6) 2_566 ?
O4 Ag3 2.357(6) 2_566 ?
O5 Ag7 2.193(6) 2_656 ?
O5 Ag2 2.463(6) 2_566 ?
O6 Ag6 2.373(6) 2_656 ?
O11 Ag5 2.090(5) 2_657 ?
O12 Ag6 2.291(5) 2_657 ?
O13 Ag2 2.325(5) 2_567 ?
O14 Ag3 2.372(6) 2_567 ?
