#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:23:00 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179720 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/22/7002232.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_7002232
loop_
_publ_author_name
'Zhang, Tianle'
'Song, Hongbin'
'Dai, Xiaomei'
'Meng, Xianggao'
_publ_section_title
;
 One, two and three-dimensional organometallic networks constructed
 from silver(i) pyridyldiethynide complexes
;
_journal_issue                   37
_journal_name_full               'Dalton Transactions'
_journal_page_first              7688
_journal_page_last               7694
_journal_paper_doi               10.1039/b905449a
_journal_year                    2009
_chemical_formula_sum            'C9 H3 Ag5 N4 O9'
_chemical_formula_weight         850.50
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 132.296(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.4628(17)
_cell_length_b                   13.6189(11)
_cell_length_c                   14.3811(12)
_cell_measurement_reflns_used    2917
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.17
_cell_measurement_theta_min      2.69
_cell_volume                     2964.4(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0889
_diffrn_reflns_av_sigmaI/netI    0.0746
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            10119
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    6.551
_exptl_absorpt_correction_T_max  0.5603
_exptl_absorpt_correction_T_min  0.5603
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS,Sheldrick,1997
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    3.811
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3136
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.498
_refine_diff_density_min         -2.278
_refine_diff_density_rms         0.287
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     246
_refine_ls_number_reflns         3244
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0570
_refine_ls_R_factor_gt           0.0441
_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)+(0.0362P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0875
_refine_ls_wR_factor_ref         0.0925
_reflns_number_gt                2633
_reflns_number_total             3244
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b905449a.txt
_cod_data_source_block           compound-2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_sg_symbol_H-M      C2/c
_cod_database_code               7002232
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.21573(4) 0.83443(5) 1.22559(6) 0.02669(17) Uani 1 1 d . . .
Ag2 Ag 0.18535(4) 0.72212(4) 1.02299(5) 0.01957(15) Uani 1 1 d . . .
Ag3 Ag 0.20371(4) 0.94186(4) 0.96072(5) 0.02403(16) Uani 1 1 d . . .
Ag4 Ag 0.14095(5) 1.13922(5) 0.83928(6) 0.0368(2) Uani 1 1 d . . .
Ag5 Ag 0.11824(4) 0.98187(5) 0.67462(5) 0.02437(16) Uani 1 1 d . . .
C1 C -0.0006(5) 0.6381(5) 0.8556(6) 0.0137(14) Uani 1 1 d . . .
H1 H -0.0128 0.7052 0.8310 0.016 Uiso 1 1 calc R . .
C2 C -0.0718(4) 0.5744(5) 0.8005(6) 0.0130(14) Uani 1 1 d . . .
C3 C -0.0541(4) 0.4775(5) 0.8398(6) 0.0162(15) Uani 1 1 d . . .
H3 H -0.1006 0.4325 0.8077 0.019 Uiso 1 1 calc R . .
C4 C 0.0343(5) 0.4477(5) 0.9283(7) 0.0180(16) Uani 1 1 d . . .
H4 H 0.0487 0.3815 0.9562 0.022 Uiso 1 1 calc R . .
C5 C 0.1003(4) 0.5147(5) 0.9748(6) 0.0124(14) Uani 1 1 d . . .
C6 C -0.1599(4) 0.6151(5) 0.7076(6) 0.0139(15) Uani 1 1 d . . .
C7 C -0.2266(5) 0.6620(5) 0.6315(7) 0.0178(16) Uani 1 1 d . . .
C8 C 0.1922(5) 0.4849(5) 1.0642(6) 0.0155(15) Uani 1 1 d . . .
C9 C 0.2674(4) 0.4553(5) 1.1430(6) 0.0163(15) Uani 1 1 d . . .
N1 N 0.0832(4) 0.6098(4) 0.9407(5) 0.0119(12) Uani 1 1 d . . .
N2 N 0.0001(4) 0.8165(4) 0.9997(5) 0.0161(13) Uani 1 1 d . . .
N3 N 0.0000 0.8925(6) 0.7500 0.0181(19) Uani 1 2 d S . .
N4 N 0.2176(4) 1.1390(5) 1.1150(6) 0.0196(14) Uani 1 1 d . . .
N5 N 0.0000 1.2677(7) 0.7500 0.022(2) Uani 1 2 d S . .
O11 O 0.0625(3) 0.7663(4) 1.0889(5) 0.0238(12) Uani 1 1 d . . .
O12 O 0.0147(4) 0.9025(4) 0.9821(5) 0.0270(13) Uani 1 1 d . . .
O13 O -0.0748(4) 0.7841(4) 0.9266(5) 0.0320(14) Uani 1 1 d . . .
O14 O 0.0711(4) 0.8456(4) 0.8098(5) 0.0298(13) Uani 1 1 d . . .
O15 O 0.0000 0.9811(6) 0.7500 0.044(3) Uani 1 2 d S . .
O16 O 0.1737(4) 1.0612(4) 1.0640(5) 0.0240(12) Uani 1 1 d . . .
O17 O 0.2218(4) 1.1992(4) 1.0541(6) 0.0353(15) Uani 1 1 d . . .
O18 O 0.2590(3) 1.1545(4) 1.2283(5) 0.0272(13) Uani 1 1 d . . .
O19 O 0.0000 1.1757(5) 0.7500 0.0250(17) Uani 1 2 d S . .
O20 O 0.0700(3) 1.3114(4) 0.8020(5) 0.0245(12) 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
C7 Ag1 C9 126.7(2) 8_566 4_557 ?
C7 Ag1 O18 94.6(2) 8_566 4_547 ?
C9 Ag1 O18 125.5(2) 4_557 4_547 ?
C7 Ag1 O11 114.2(2) 8_566 . ?
C9 Ag1 O11 108.7(2) 4_557 . ?
O18 Ag1 O11 76.75(17) 4_547 . ?
C7 Ag1 Ag4 171.70(18) 8_566 6_576 ?
C9 Ag1 Ag4 46.53(17) 4_557 6_576 ?
O18 Ag1 Ag4 93.71(13) 4_547 6_576 ?
O11 Ag1 Ag4 68.49(12) . 6_576 ?
C7 Ag1 Ag2 44.68(18) 8_566 . ?
C9 Ag1 Ag2 166.54(17) 4_557 . ?
O18 Ag1 Ag2 67.90(12) 4_547 . ?
O11 Ag1 Ag2 73.33(12) . . ?
Ag4 Ag1 Ag2 140.59(3) 6_576 . ?
C7 Ag1 Ag5 111.10(18) 8_566 6_576 ?
C9 Ag1 Ag5 47.05(17) 4_557 6_576 ?
O18 Ag1 Ag5 151.21(13) 4_547 6_576 ?
O11 Ag1 Ag5 80.80(12) . 6_576 ?
Ag4 Ag1 Ag5 61.04(2) 6_576 6_576 ?
Ag2 Ag1 Ag5 122.08(3) . 6_576 ?
C7 Ag2 N1 163.8(2) 8_566 . ?
C7 Ag2 Ag1 51.1(2) 8_566 . ?
N1 Ag2 Ag1 112.65(14) . . ?
C7 Ag2 Ag3 105.6(2) 8_566 7_567 ?
N1 Ag2 Ag3 85.48(15) . 7_567 ?
Ag1 Ag2 Ag3 130.07(2) . 7_567 ?
C7 Ag2 Ag3 45.87(19) 8_566 . ?
N1 Ag2 Ag3 138.43(14) . . ?
Ag1 Ag2 Ag3 78.87(2) . . ?
Ag3 Ag2 Ag3 118.53(2) 7_567 . ?
C7 Ag2 Ag2 64.0(2) 8_566 7_567 ?
N1 Ag2 Ag2 132.23(15) . 7_567 ?
Ag1 Ag2 Ag2 115.00(3) . 7_567 ?
Ag3 Ag2 Ag2 61.38(2) 7_567 7_567 ?
Ag3 Ag2 Ag2 57.15(2) . 7_567 ?
C7 Ag3 C9 141.8(2) 8_566 7_567 ?
C7 Ag3 O14 98.0(2) 8_566 . ?
C9 Ag3 O14 110.9(2) 7_567 . ?
C7 Ag3 O16 89.4(2) 8_566 . ?
C9 Ag3 O16 104.4(2) 7_567 . ?
O14 Ag3 O16 107.69(18) . . ?
C7 Ag3 C8 114.0(2) 8_566 7_567 ?
C9 Ag3 C8 27.8(2) 7_567 7_567 ?
O14 Ag3 C8 128.0(2) . 7_567 ?
O16 Ag3 C8 112.4(2) . 7_567 ?
C7 Ag3 Ag4 152.52(18) 8_566 . ?
C9 Ag3 Ag4 45.38(17) 7_567 . ?
O14 Ag3 Ag4 100.46(13) . . ?
O16 Ag3 Ag4 65.67(12) . . ?
C8 Ag3 Ag4 69.02(16) 7_567 . ?
C7 Ag3 Ag2 65.14(18) 8_566 7_567 ?
C9 Ag3 Ag2 89.58(17) 7_567 7_567 ?
O14 Ag3 Ag2 90.01(13) . 7_567 ?
O16 Ag3 Ag2 151.11(13) . 7_567 ?
C8 Ag3 Ag2 69.89(16) 7_567 7_567 ?
Ag4 Ag3 Ag2 134.64(3) . 7_567 ?
C7 Ag3 Ag2 40.51(18) 8_566 . ?
C9 Ag3 Ag2 147.36(17) 7_567 . ?
O14 Ag3 Ag2 58.38(13) . . ?
O16 Ag3 Ag2 108.22(12) . . ?
C8 Ag3 Ag2 131.18(16) 7_567 . ?
Ag4 Ag3 Ag2 156.32(3) . . ?
Ag2 Ag3 Ag2 61.47(2) 7_567 . ?
C7 Ag3 Ag5 150.11(18) 8_566 . ?
C9 Ag3 Ag5 42.44(16) 7_567 . ?
O14 Ag3 Ag5 68.49(14) . . ?
O16 Ag3 Ag5 119.76(12) . . ?
C8 Ag3 Ag5 63.41(15) 7_567 . ?
Ag4 Ag3 Ag5 57.042(19) . . ?
Ag2 Ag3 Ag5 87.65(2) 7_567 . ?
Ag2 Ag3 Ag5 116.32(2) . . ?
C9 Ag4 O19 150.4(2) 7_567 . ?
C9 Ag4 O17 104.8(2) 7_567 . ?
O19 Ag4 O17 99.23(16) . . ?
C9 Ag4 Ag1 52.67(19) 7_567 6_575 ?
O19 Ag4 Ag1 126.70(6) . 6_575 ?
O17 Ag4 Ag1 119.97(14) . 6_575 ?
C9 Ag4 Ag3 52.56(19) 7_567 . ?
O19 Ag4 Ag3 114.06(17) . . ?
O17 Ag4 Ag3 84.46(14) . . ?
Ag1 Ag4 Ag3 104.91(3) 6_575 . ?
C9 Ag4 Ag5 47.22(18) 7_567 . ?
O19 Ag4 Ag5 104.25(13) . . ?
O17 Ag4 Ag5 147.83(14) . . ?
Ag1 Ag4 Ag5 60.31(2) 6_575 . ?
Ag3 Ag4 Ag5 66.06(2) . . ?
C9 Ag5 O12 161.9(2) 7_567 2_556 ?
C9 Ag5 O16 105.6(2) 7_567 6_575 ?
O12 Ag5 O16 90.57(18) 2_556 6_575 ?
C9 Ag5 O12 119.1(2) 7_567 6_575 ?
O12 Ag5 O12 70.4(2) 2_556 6_575 ?
O16 Ag5 O12 82.04(17) 6_575 6_575 ?
C9 Ag5 Ag1 51.54(19) 7_567 6_575 ?
O12 Ag5 Ag1 141.76(13) 2_556 6_575 ?
O16 Ag5 Ag1 80.88(12) 6_575 6_575 ?
O12 Ag5 Ag1 71.49(12) 6_575 6_575 ?
C9 Ag5 Ag4 45.77(18) 7_567 . ?
O12 Ag5 Ag4 123.95(14) 2_556 . ?
O16 Ag5 Ag4 139.17(12) 6_575 . ?
O12 Ag5 Ag4 89.44(12) 6_575 . ?
Ag1 Ag5 Ag4 58.65(2) 6_575 . ?
C9 Ag5 Ag3 47.29(19) 7_567 . ?
O12 Ag5 Ag3 115.51(14) 2_556 . ?
O16 Ag5 Ag3 131.24(12) 6_575 . ?
O12 Ag5 Ag3 143.91(12) 6_575 . ?
Ag1 Ag5 Ag3 97.40(2) 6_575 . ?
Ag4 Ag5 Ag3 56.902(19) . . ?
N1 C1 C2 123.3(6) . . ?
N1 C1 H1 118.3 . . ?
C2 C1 H1 118.3 . . ?
C3 C2 C1 118.3(6) . . ?
C3 C2 C6 124.2(6) . . ?
C1 C2 C6 117.4(6) . . ?
C2 C3 C4 118.1(7) . . ?
C2 C3 H3 121.0 . . ?
C4 C3 H3 121.0 . . ?
C5 C4 C3 119.7(7) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
N1 C5 C4 122.2(6) . . ?
N1 C5 C8 117.2(6) . . ?
C4 C5 C8 120.6(6) . . ?
C7 C6 C2 169.7(8) . . ?
C6 C7 Ag2 162.7(6) . 8_465 ?
C6 C7 Ag3 98.7(5) . 8_465 ?
Ag2 C7 Ag3 93.6(3) 8_465 8_465 ?
C6 C7 Ag1 101.0(5) . 8_465 ?
Ag2 C7 Ag1 84.2(2) 8_465 8_465 ?
Ag3 C7 Ag1 116.1(3) 8_465 8_465 ?
C9 C8 C5 175.0(8) . . ?
C9 C8 Ag3 67.2(5) . 7_567 ?
C5 C8 Ag3 117.9(5) . 7_567 ?
C8 C9 Ag4 140.3(6) . 7_567 ?
C8 C9 Ag5 130.5(6) . 7_567 ?
Ag4 C9 Ag5 87.0(2) 7_567 7_567 ?
C8 C9 Ag1 113.1(5) . 4_547 ?
Ag4 C9 Ag1 80.8(2) 7_567 4_547 ?
Ag5 C9 Ag1 81.4(2) 7_567 4_547 ?
C8 C9 Ag3 85.0(5) . 7_567 ?
Ag4 C9 Ag3 82.1(2) 7_567 7_567 ?
Ag5 C9 Ag3 90.3(2) 7_567 7_567 ?
Ag1 C9 Ag3 161.3(3) 4_547 7_567 ?
C1 N1 C5 118.3(6) . . ?
C1 N1 Ag2 117.9(5) . . ?
C5 N1 Ag2 123.8(4) . . ?
O13 N2 O11 121.0(6) . . ?
O13 N2 O12 119.3(6) . . ?
O11 N2 O12 119.7(6) . . ?
O15 N3 O14 120.6(4) . 2_556 ?
O15 N3 O14 120.6(4) . . ?
O14 N3 O14 118.9(9) 2_556 . ?
O17 N4 O18 120.0(7) . . ?
O17 N4 O16 120.4(6) . . ?
O18 N4 O16 119.6(6) . . ?
O20 N5 O20 122.4(9) 2_556 . ?
O20 N5 O19 118.8(5) 2_556 . ?
O20 N5 O19 118.8(5) . . ?
N2 O11 Ag1 118.8(4) . . ?
N2 O12 Ag5 110.0(4) . 2_556 ?
N2 O12 Ag5 118.5(4) . 6_576 ?
Ag5 O12 Ag5 109.6(2) 2_556 6_576 ?
N3 O14 Ag3 114.9(5) . . ?
N4 O16 Ag3 121.4(4) . . ?
N4 O16 Ag5 105.8(4) . 6_576 ?
Ag3 O16 Ag5 126.7(2) . 6_576 ?
N4 O17 Ag4 111.0(5) . . ?
N4 O18 Ag1 110.5(4) . 4_557 ?
N5 O19 Ag4 102.55(18) . . ?
N5 O19 Ag4 102.55(18) . 2_556 ?
Ag4 O19 Ag4 154.9(4) . 2_556 ?
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 C7 2.318(7) 8_566 ?
Ag1 C9 2.350(7) 4_557 ?
Ag1 O18 2.500(6) 4_547 ?
Ag1 O11 2.502(5) . ?
Ag1 Ag4 2.9174(9) 6_576 ?
Ag1 Ag2 2.9626(8) . ?
Ag1 Ag5 2.9677(9) 6_576 ?
Ag2 C7 2.094(7) 8_566 ?
Ag2 N1 2.186(5) . ?
Ag2 Ag3 3.0789(9) 7_567 ?
Ag2 Ag3 3.2174(8) . ?
Ag2 Ag2 3.2202(12) 7_567 ?
Ag3 C7 2.314(7) 8_566 ?
Ag3 C9 2.392(7) 7_567 ?
Ag3 O14 2.422(6) . ?
Ag3 O16 2.540(5) . ?
Ag3 C8 2.586(7) 7_567 ?
Ag3 Ag4 2.9842(9) . ?
Ag3 Ag2 3.0789(9) 7_567 ?
Ag3 Ag5 3.2557(9) . ?
Ag4 C9 2.145(7) 7_567 ?
Ag4 O19 2.2869(18) . ?
Ag4 O17 2.464(6) . ?
Ag4 Ag1 2.9173(9) 6_575 ?
Ag4 Ag5 2.9889(9) . ?
Ag5 C9 2.197(7) 7_567 ?
Ag5 O12 2.323(5) 2_556 ?
Ag5 O16 2.567(5) 6_575 ?
Ag5 O12 2.596(5) 6_575 ?
Ag5 Ag1 2.9677(9) 6_575 ?
C1 N1 1.328(9) . ?
C1 C2 1.396(9) . ?
C1 H1 0.9500 . ?
C2 C3 1.385(10) . ?
C2 C6 1.450(9) . ?
C3 C4 1.399(10) . ?
C3 H3 0.9500 . ?
C4 C5 1.374(9) . ?
C4 H4 0.9500 . ?
C5 N1 1.345(9) . ?
C5 C8 1.449(9) . ?
C6 C7 1.208(9) . ?
C7 Ag2 2.094(7) 8_465 ?
C7 Ag3 2.314(7) 8_465 ?
C7 Ag1 2.318(7) 8_465 ?
C8 C9 1.211(10) . ?
C8 Ag3 2.586(7) 7_567 ?
C9 Ag4 2.145(7) 7_567 ?
C9 Ag5 2.197(7) 7_567 ?
C9 Ag1 2.350(7) 4_547 ?
C9 Ag3 2.392(7) 7_567 ?
N2 O13 1.216(8) . ?
N2 O11 1.241(7) . ?
N2 O12 1.276(7) . ?
N3 O15 1.207(11) . ?
N3 O14 1.256(7) 2_556 ?
N3 O14 1.256(7) . ?
N4 O17 1.244(8) . ?
N4 O18 1.248(8) . ?
N4 O16 1.258(8) . ?
N5 O20 1.234(6) 2_556 ?
N5 O20 1.234(6) . ?
N5 O19 1.253(11) . ?
O12 Ag5 2.323(5) 2_556 ?
O12 Ag5 2.596(5) 6_576 ?
O16 Ag5 2.567(5) 6_576 ?
O18 Ag1 2.500(6) 4_557 ?
O19 Ag4 2.2869(17) 2_556 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C1 H1 O14 0.95 2.44 3.333(9) 157.5 2_556
C3 H3 O18 0.95 2.56 3.489(9) 166.4 8_465
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C9 Ag1 Ag2 C7 55.0(8) 4_557 . . 8_566 ?
O18 Ag1 Ag2 C7 -122.2(3) 4_547 . . 8_566 ?
O11 Ag1 Ag2 C7 155.7(3) . . . 8_566 ?
Ag4 Ag1 Ag2 C7 170.4(3) 6_576 . . 8_566 ?
Ag5 Ag1 Ag2 C7 88.3(3) 6_576 . . 8_566 ?
C7 Ag1 Ag2 N1 -179.2(3) 8_566 . . . ?
C9 Ag1 Ag2 N1 -124.2(7) 4_557 . . . ?
O18 Ag1 Ag2 N1 58.6(2) 4_547 . . . ?
O11 Ag1 Ag2 N1 -23.54(19) . . . . ?
Ag4 Ag1 Ag2 N1 -8.82(16) 6_576 . . . ?
Ag5 Ag1 Ag2 N1 -90.92(16) 6_576 . . . ?
C7 Ag1 Ag2 Ag3 76.9(3) 8_566 . . 7_567 ?
C9 Ag1 Ag2 Ag3 131.9(7) 4_557 . . 7_567 ?
O18 Ag1 Ag2 Ag3 -45.25(14) 4_547 . . 7_567 ?
O11 Ag1 Ag2 Ag3 -127.39(12) . . . 7_567 ?
Ag4 Ag1 Ag2 Ag3 -112.67(5) 6_576 . . 7_567 ?
Ag5 Ag1 Ag2 Ag3 165.23(3) 6_576 . . 7_567 ?
C7 Ag1 Ag2 Ag3 -41.1(3) 8_566 . . . ?
C9 Ag1 Ag2 Ag3 13.9(7) 4_557 . . . ?
O18 Ag1 Ag2 Ag3 -163.32(14) 4_547 . . . ?
O11 Ag1 Ag2 Ag3 114.54(12) . . . . ?
Ag4 Ag1 Ag2 Ag3 129.26(5) 6_576 . . . ?
Ag5 Ag1 Ag2 Ag3 47.16(3) 6_576 . . . ?
C7 Ag1 Ag2 Ag2 4.3(3) 8_566 . . 7_567 ?
C9 Ag1 Ag2 Ag2 59.3(7) 4_557 . . 7_567 ?
O18 Ag1 Ag2 Ag2 -117.89(14) 4_547 . . 7_567 ?
O11 Ag1 Ag2 Ag2 159.97(12) . . . 7_567 ?
Ag4 Ag1 Ag2 Ag2 174.69(4) 6_576 . . 7_567 ?
Ag5 Ag1 Ag2 Ag2 92.59(4) 6_576 . . 7_567 ?
N1 Ag2 Ag3 C7 157.2(4) . . . 8_566 ?
Ag1 Ag2 Ag3 C7 45.5(3) . . . 8_566 ?
Ag3 Ag2 Ag3 C7 -84.2(3) 7_567 . . 8_566 ?
Ag2 Ag2 Ag3 C7 -84.2(3) 7_567 . . 8_566 ?
C7 Ag2 Ag3 C9 114.5(4) 8_566 . . 7_567 ?
N1 Ag2 Ag3 C9 -88.3(4) . . . 7_567 ?
Ag1 Ag2 Ag3 C9 160.0(3) . . . 7_567 ?
Ag3 Ag2 Ag3 C9 30.2(3) 7_567 . . 7_567 ?
Ag2 Ag2 Ag3 C9 30.2(3) 7_567 . . 7_567 ?
C7 Ag2 Ag3 O14 -166.2(3) 8_566 . . . ?
N1 Ag2 Ag3 O14 -9.0(3) . . . . ?
Ag1 Ag2 Ag3 O14 -120.67(16) . . . . ?
Ag3 Ag2 Ag3 O14 109.56(16) 7_567 . . . ?
Ag2 Ag2 Ag3 O14 109.56(16) 7_567 . . . ?
C7 Ag2 Ag3 O16 -66.2(3) 8_566 . . . ?
N1 Ag2 Ag3 O16 91.0(3) . . . . ?
Ag1 Ag2 Ag3 O16 -20.71(13) . . . . ?
Ag3 Ag2 Ag3 O16 -150.48(13) 7_567 . . . ?
Ag2 Ag2 Ag3 O16 -150.48(13) 7_567 . . . ?
C7 Ag2 Ag3 C8 78.9(3) 8_566 . . 7_567 ?
N1 Ag2 Ag3 C8 -123.9(3) . . . 7_567 ?
Ag1 Ag2 Ag3 C8 124.4(2) . . . 7_567 ?
Ag3 Ag2 Ag3 C8 -5.4(2) 7_567 . . 7_567 ?
Ag2 Ag2 Ag3 C8 -5.4(2) 7_567 . . 7_567 ?
C7 Ag2 Ag3 Ag4 -137.0(3) 8_566 . . . ?
N1 Ag2 Ag3 Ag4 20.2(2) . . . . ?
Ag1 Ag2 Ag3 Ag4 -91.48(7) . . . . ?
Ag3 Ag2 Ag3 Ag4 138.75(7) 7_567 . . . ?
Ag2 Ag2 Ag3 Ag4 138.75(7) 7_567 . . . ?
C7 Ag2 Ag3 Ag2 84.2(3) 8_566 . . 7_567 ?
N1 Ag2 Ag3 Ag2 -118.5(2) . . . 7_567 ?
Ag1 Ag2 Ag3 Ag2 129.77(3) . . . 7_567 ?
Ag3 Ag2 Ag3 Ag2 0.0 7_567 . . 7_567 ?
C7 Ag2 Ag3 Ag5 155.5(3) 8_566 . . . ?
N1 Ag2 Ag3 Ag5 -47.3(2) . . . . ?
Ag1 Ag2 Ag3 Ag5 -158.95(3) . . . . ?
Ag3 Ag2 Ag3 Ag5 71.28(3) 7_567 . . . ?
Ag2 Ag2 Ag3 Ag5 71.28(3) 7_567 . . . ?
C7 Ag3 Ag4 C9 119.6(4) 8_566 . . 7_567 ?
O14 Ag3 Ag4 C9 -109.1(3) . . . 7_567 ?
O16 Ag3 Ag4 C9 146.1(3) . . . 7_567 ?
C8 Ag3 Ag4 C9 17.8(3) 7_567 . . 7_567 ?
Ag2 Ag3 Ag4 C9 -8.6(2) 7_567 . . 7_567 ?
Ag2 Ag3 Ag4 C9 -134.1(2) . . . 7_567 ?
Ag5 Ag3 Ag4 C9 -53.4(2) . . . 7_567 ?
C7 Ag3 Ag4 O19 -91.4(4) 8_566 . . . ?
C9 Ag3 Ag4 O19 149.0(2) 7_567 . . . ?
O14 Ag3 Ag4 O19 39.88(16) . . . . ?
O16 Ag3 Ag4 O19 -64.93(16) . . . . ?
C8 Ag3 Ag4 O19 166.72(19) 7_567 . . . ?
Ag2 Ag3 Ag4 O19 140.40(9) 7_567 . . . ?
Ag2 Ag3 Ag4 O19 14.90(11) . . . . ?
Ag5 Ag3 Ag4 O19 95.54(9) . . . . ?
C7 Ag3 Ag4 O17 6.2(4) 8_566 . . . ?
C9 Ag3 Ag4 O17 -113.4(3) 7_567 . . . ?
O14 Ag3 Ag4 O17 137.5(2) . . . . ?
O16 Ag3 Ag4 O17 32.7(2) . . . . ?
C8 Ag3 Ag4 O17 -95.6(2) 7_567 . . . ?
Ag2 Ag3 Ag4 O17 -121.95(15) 7_567 . . . ?
Ag2 Ag3 Ag4 O17 112.55(16) . . . . ?
Ag5 Ag3 Ag4 O17 -166.80(14) . . . . ?
C7 Ag3 Ag4 Ag1 125.8(4) 8_566 . . 6_575 ?
C9 Ag3 Ag4 Ag1 6.2(2) 7_567 . . 6_575 ?
O14 Ag3 Ag4 Ag1 -102.89(14) . . . 6_575 ?
O16 Ag3 Ag4 Ag1 152.30(13) . . . 6_575 ?
C8 Ag3 Ag4 Ag1 23.95(16) 7_567 . . 6_575 ?
Ag2 Ag3 Ag4 Ag1 -2.38(5) 7_567 . . 6_575 ?
Ag2 Ag3 Ag4 Ag1 -127.87(6) . . . 6_575 ?
Ag5 Ag3 Ag4 Ag1 -47.23(2) . . . 6_575 ?
C7 Ag3 Ag4 Ag5 173.0(4) 8_566 . . . ?
C9 Ag3 Ag4 Ag5 53.4(2) 7_567 . . . ?
O14 Ag3 Ag4 Ag5 -55.66(14) . . . . ?
O16 Ag3 Ag4 Ag5 -160.47(13) . . . . ?
C8 Ag3 Ag4 Ag5 71.18(16) 7_567 . . . ?
Ag2 Ag3 Ag4 Ag5 44.85(4) 7_567 . . . ?
Ag2 Ag3 Ag4 Ag5 -80.64(7) . . . . ?
O19 Ag4 Ag5 C9 -170.6(3) . . . 7_567 ?
O17 Ag4 Ag5 C9 -35.0(4) . . . 7_567 ?
Ag1 Ag4 Ag5 C9 64.9(3) 6_575 . . 7_567 ?
Ag3 Ag4 Ag5 C9 -60.3(3) . . . 7_567 ?
C9 Ag4 Ag5 O12 160.7(3) 7_567 . . 2_556 ?
O19 Ag4 Ag5 O12 -9.9(2) . . . 2_556 ?
O17 Ag4 Ag5 O12 125.7(3) . . . 2_556 ?
Ag1 Ag4 Ag5 O12 -134.32(16) 6_575 . . 2_556 ?
Ag3 Ag4 Ag5 O12 100.43(16) . . . 2_556 ?
C9 Ag4 Ag5 O16 -56.4(3) 7_567 . . 6_575 ?
O19 Ag4 Ag5 O16 133.0(2) . . . 6_575 ?
O17 Ag4 Ag5 O16 -91.4(3) . . . 6_575 ?
Ag1 Ag4 Ag5 O16 8.56(18) 6_575 . . 6_575 ?
Ag3 Ag4 Ag5 O16 -116.69(18) . . . 6_575 ?
C9 Ag4 Ag5 O12 -133.5(3) 7_567 . . 6_575 ?
O19 Ag4 Ag5 O12 55.86(18) . . . 6_575 ?
O17 Ag4 Ag5 O12 -168.5(3) . . . 6_575 ?
Ag1 Ag4 Ag5 O12 -68.54(12) 6_575 . . 6_575 ?
Ag3 Ag4 Ag5 O12 166.20(12) . . . 6_575 ?
C9 Ag4 Ag5 Ag1 -64.9(3) 7_567 . . 6_575 ?
O19 Ag4 Ag5 Ag1 124.40(13) . . . 6_575 ?
O17 Ag4 Ag5 Ag1 -100.0(3) . . . 6_575 ?
Ag3 Ag4 Ag5 Ag1 -125.26(3) . . . 6_575 ?
C9 Ag4 Ag5 Ag3 60.3(3) 7_567 . . . ?
O19 Ag4 Ag5 Ag3 -110.34(13) . . . . ?
O17 Ag4 Ag5 Ag3 25.3(3) . . . . ?
Ag1 Ag4 Ag5 Ag3 125.26(3) 6_575 . . . ?
C7 Ag3 Ag5 C9 -115.6(4) 8_566 . . 7_567 ?
O14 Ag3 Ag5 C9 177.1(3) . . . 7_567 ?
O16 Ag3 Ag5 C9 78.4(3) . . . 7_567 ?
C8 Ag3 Ag5 C9 -23.3(3) 7_567 . . 7_567 ?
Ag4 Ag3 Ag5 C9 57.9(2) . . . 7_567 ?
Ag2 Ag3 Ag5 C9 -91.9(2) 7_567 . . 7_567 ?
Ag2 Ag3 Ag5 C9 -148.3(2) . . . 7_567 ?
C7 Ag3 Ag5 O12 71.1(4) 8_566 . . 2_556 ?
C9 Ag3 Ag5 O12 -173.2(3) 7_567 . . 2_556 ?
O14 Ag3 Ag5 O12 3.9(2) . . . 2_556 ?
O16 Ag3 Ag5 O12 -94.8(2) . . . 2_556 ?
C8 Ag3 Ag5 O12 163.5(2) 7_567 . . 2_556 ?
Ag4 Ag3 Ag5 O12 -115.31(15) . . . 2_556 ?
Ag2 Ag3 Ag5 O12 94.84(15) 7_567 . . 2_556 ?
Ag2 Ag3 Ag5 O12 38.45(15) . . . 2_556 ?
C7 Ag3 Ag5 O16 -44.5(4) 8_566 . . 6_575 ?
C9 Ag3 Ag5 O16 71.1(3) 7_567 . . 6_575 ?
O14 Ag3 Ag5 O16 -111.8(2) . . . 6_575 ?
O16 Ag3 Ag5 O16 149.6(2) . . . 6_575 ?
C8 Ag3 Ag5 O16 47.8(2) 7_567 . . 6_575 ?
Ag4 Ag3 Ag5 O16 129.02(16) . . . 6_575 ?
Ag2 Ag3 Ag5 O16 -20.83(16) 7_567 . . 6_575 ?
Ag2 Ag3 Ag5 O16 -77.22(16) . . . 6_575 ?
C7 Ag3 Ag5 O12 162.6(4) 8_566 . . 6_575 ?
C9 Ag3 Ag5 O12 -81.8(3) 7_567 . . 6_575 ?
O14 Ag3 Ag5 O12 95.3(2) . . . 6_575 ?
O16 Ag3 Ag5 O12 -3.3(3) . . . 6_575 ?
C8 Ag3 Ag5 O12 -105.1(3) 7_567 . . 6_575 ?
Ag4 Ag3 Ag5 O12 -23.9(2) . . . 6_575 ?
Ag2 Ag3 Ag5 O12 -173.7(2) 7_567 . . 6_575 ?
Ag2 Ag3 Ag5 O12 129.9(2) . . . 6_575 ?
C7 Ag3 Ag5 Ag1 -128.9(4) 8_566 . . 6_575 ?
C9 Ag3 Ag5 Ag1 -13.2(2) 7_567 . . 6_575 ?
O14 Ag3 Ag5 Ag1 163.90(14) . . . 6_575 ?
O16 Ag3 Ag5 Ag1 65.23(14) . . . 6_575 ?
C8 Ag3 Ag5 Ag1 -36.53(18) 7_567 . . 6_575 ?
Ag4 Ag3 Ag5 Ag1 44.68(2) . . . 6_575 ?
Ag2 Ag3 Ag5 Ag1 -105.17(2) 7_567 . . 6_575 ?
Ag2 Ag3 Ag5 Ag1 -161.56(2) . . . 6_575 ?
C7 Ag3 Ag5 Ag4 -173.5(4) 8_566 . . . ?
C9 Ag3 Ag5 Ag4 -57.9(2) 7_567 . . . ?
O14 Ag3 Ag5 Ag4 119.22(14) . . . . ?
O16 Ag3 Ag5 Ag4 20.54(14) . . . . ?
C8 Ag3 Ag5 Ag4 -81.21(18) 7_567 . . . ?
Ag2 Ag3 Ag5 Ag4 -149.85(3) 7_567 . . . ?
Ag2 Ag3 Ag5 Ag4 153.76(3) . . . . ?
N1 C1 C2 C3 2.4(10) . . . . ?
N1 C1 C2 C6 -179.2(6) . . . . ?
C1 C2 C3 C4 -3.0(10) . . . . ?
C6 C2 C3 C4 178.6(6) . . . . ?
C2 C3 C4 C5 1.1(10) . . . . ?
C3 C4 C5 N1 1.8(11) . . . . ?
C3 C4 C5 C8 -178.5(6) . . . . ?
C3 C2 C6 C7 -172(4) . . . . ?
C1 C2 C6 C7 9(4) . . . . ?
C2 C6 C7 Ag2 -14(6) . . . 8_465 ?
C2 C6 C7 Ag3 121(4) . . . 8_465 ?
C2 C6 C7 Ag1 -120(4) . . . 8_465 ?
N1 C5 C8 C9 142(9) . . . . ?
C4 C5 C8 C9 -38(9) . . . . ?
N1 C5 C8 Ag3 -40.3(7) . . . 7_567 ?
C4 C5 C8 Ag3 139.9(6) . . . 7_567 ?
C5 C8 C9 Ag4 107(9) . . . 7_567 ?
Ag3 C8 C9 Ag4 -71.2(8) 7_567 . . 7_567 ?
C5 C8 C9 Ag5 -96(9) . . . 7_567 ?
Ag3 C8 C9 Ag5 86.1(6) 7_567 . . 7_567 ?
C5 C8 C9 Ag1 3(9) . . . 4_547 ?
Ag3 C8 C9 Ag1 -175.2(5) 7_567 . . 4_547 ?
C5 C8 C9 Ag3 178(100) . . . 7_567 ?
C2 C1 N1 C5 0.4(9) . . . . ?
C2 C1 N1 Ag2 -176.9(5) . . . . ?
C4 C5 N1 C1 -2.5(10) . . . . ?
C8 C5 N1 C1 177.7(6) . . . . ?
C4 C5 N1 Ag2 174.7(5) . . . . ?
C8 C5 N1 Ag2 -5.1(8) . . . . ?
C7 Ag2 N1 C1 78.1(10) 8_566 . . . ?
Ag1 Ag2 N1 C1 80.3(5) . . . . ?
Ag3 Ag2 N1 C1 -147.9(5) 7_567 . . . ?
Ag3 Ag2 N1 C1 -18.7(6) . . . . ?
Ag2 Ag2 N1 C1 -104.0(5) 7_567 . . . ?
C7 Ag2 N1 C5 -99.1(10) 8_566 . . . ?
Ag1 Ag2 N1 C5 -96.9(5) . . . . ?
Ag3 Ag2 N1 C5 34.9(5) 7_567 . . . ?
Ag3 Ag2 N1 C5 164.1(4) . . . . ?
Ag2 Ag2 N1 C5 78.8(5) 7_567 . . . ?
O13 N2 O11 Ag1 175.8(5) . . . . ?
O12 N2 O11 Ag1 -2.4(8) . . . . ?
C7 Ag1 O11 N2 -72.7(5) 8_566 . . . ?
C9 Ag1 O11 N2 74.8(5) 4_557 . . . ?
O18 Ag1 O11 N2 -161.7(5) 4_547 . . . ?
Ag4 Ag1 O11 N2 98.8(5) 6_576 . . . ?
Ag2 Ag1 O11 N2 -91.2(5) . . . . ?
Ag5 Ag1 O11 N2 36.4(4) 6_576 . . . ?
O13 N2 O12 Ag5 9.6(7) . . . 2_556 ?
O11 N2 O12 Ag5 -172.2(5) . . . 2_556 ?
O13 N2 O12 Ag5 136.7(5) . . . 6_576 ?
O11 N2 O12 Ag5 -45.1(7) . . . 6_576 ?
O15 N3 O14 Ag3 14.8(4) . . . . ?
O14 N3 O14 Ag3 -165.2(4) 2_556 . . . ?
C7 Ag3 O14 N3 130.4(4) 8_566 . . . ?
C9 Ag3 O14 N3 -75.2(4) 7_567 . . . ?
O16 Ag3 O14 N3 38.5(4) . . . . ?
C8 Ag3 O14 N3 -100.6(4) 7_567 . . . ?
Ag4 Ag3 O14 N3 -29.1(4) . . . . ?
Ag2 Ag3 O14 N3 -164.7(4) 7_567 . . . ?
Ag2 Ag3 O14 N3 139.4(4) . . . . ?
Ag5 Ag3 O14 N3 -77.3(4) . . . . ?
O17 N4 O16 Ag3 56.0(8) . . . . ?
O18 N4 O16 Ag3 -122.2(6) . . . . ?
O17 N4 O16 Ag5 -149.8(5) . . . 6_576 ?
O18 N4 O16 Ag5 32.0(7) . . . 6_576 ?
C7 Ag3 O16 N4 104.5(5) 8_566 . . . ?
C9 Ag3 O16 N4 -39.4(5) 7_567 . . . ?
O14 Ag3 O16 N4 -157.3(5) . . . . ?
C8 Ag3 O16 N4 -11.2(6) 7_567 . . . ?
Ag4 Ag3 O16 N4 -63.6(5) . . . . ?
Ag2 Ag3 O16 N4 77.4(6) 7_567 . . . ?
Ag2 Ag3 O16 N4 141.0(5) . . . . ?
Ag5 Ag3 O16 N4 -82.4(5) . . . . ?
C7 Ag3 O16 Ag5 -43.9(3) 8_566 . . 6_576 ?
C9 Ag3 O16 Ag5 172.1(3) 7_567 . . 6_576 ?
O14 Ag3 O16 Ag5 54.2(3) . . . 6_576 ?
C8 Ag3 O16 Ag5 -159.7(3) 7_567 . . 6_576 ?
Ag4 Ag3 O16 Ag5 148.0(3) . . . 6_576 ?
Ag2 Ag3 O16 Ag5 -71.1(4) 7_567 . . 6_576 ?
Ag2 Ag3 O16 Ag5 -7.5(3) . . . 6_576 ?
Ag5 Ag3 O16 Ag5 129.1(2) . . . 6_576 ?
O18 N4 O17 Ag4 175.9(5) . . . . ?
O16 N4 O17 Ag4 -2.3(8) . . . . ?
C9 Ag4 O17 N4 -83.5(5) 7_567 . . . ?
O19 Ag4 O17 N4 79.0(5) . . . . ?
Ag1 Ag4 O17 N4 -138.6(4) 6_575 . . . ?
Ag3 Ag4 O17 N4 -34.6(5) . . . . ?
Ag5 Ag4 O17 N4 -57.6(6) . . . . ?
O17 N4 O18 Ag1 25.3(8) . . . 4_557 ?
O16 N4 O18 Ag1 -156.5(5) . . . 4_557 ?
O20 N5 O19 Ag4 174.4(3) 2_556 . . . ?
O20 N5 O19 Ag4 -5.6(3) . . . . ?
O20 N5 O19 Ag4 -5.6(3) 2_556 . . 2_556 ?
O20 N5 O19 Ag4 174.4(3) . . . 2_556 ?
C9 Ag4 O19 N5 -148.5(4) 7_567 . . . ?
O17 Ag4 O19 N5 67.64(13) . . . . ?
Ag1 Ag4 O19 N5 -71.15(13) 6_575 . . . ?
Ag3 Ag4 O19 N5 155.67(4) . . . . ?
Ag5 Ag4 O19 N5 -134.53(4) . . . . ?
C9 Ag4 O19 Ag4 31.5(4) 7_567 . . 2_556 ?
O17 Ag4 O19 Ag4 -112.35(13) . . . 2_556 ?
Ag1 Ag4 O19 Ag4 108.86(13) 6_575 . . 2_556 ?
Ag3 Ag4 O19 Ag4 -24.33(4) . . . 2_556 ?
Ag5 Ag4 O19 Ag4 45.48(4) . . . 2_556 ?
