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#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/10/10/1101061.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_1101061
loop_
_publ_author_name
'Mohammad Abul Haj'
'Miguel Quirós'
'Juan M. Salas'
'René Faure'
_publ_section_title
;
Structure of a tetranuclear heterometallic Ag(I)-Pt(II) complex with a
 triazolopyrimidine derivative.
;
_journal_name_full               'Inorganic Chemistry Communications'
_journal_page_first              254
_journal_page_last               256
_journal_paper_doi               10.1016/S1387-7003(01)00190-3
_journal_volume                  4
_journal_year                    2001
_chemical_formula_sum            'C36 H32 Ag2 N26 O14 Pt2'
_chemical_formula_weight         1658.80
_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'
_cell_angle_alpha                90.00
_cell_angle_beta                 98.06(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.778(5)
_cell_length_b                   13.521(3)
_cell_length_c                   13.315(3)
_cell_measurement_temperature    293(2)
_cell_volume                     4595.0(16)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.398
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1101061
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
Pt Pt 0.130780(17) 0.35621(4) -0.00391(3) 0.02936(14) Uani 1 1 d . . .
Ag Ag 0.14533(4) 0.15079(8) 0.09393(7) 0.0429(3) Uani 1 1 d . . .
N1A N -0.0232(4) 0.3085(8) -0.1466(7) 0.037(2) Uani 1 1 d . . .
C2A C 0.0166(4) 0.3627(9) -0.1106(7) 0.036(3) Uani 1 1 d . . .
H2A H 0.0155 0.4314 -0.1119 0.043 Uiso 1 1 d R . .
N3A N 0.0599(4) 0.3115(7) -0.0703(6) 0.032(2) Uani 1 1 d . . .
C3AA C 0.0455(5) 0.2138(10) -0.0815(8) 0.037(3) Uani 1 1 d . . .
N4A N 0.0732(4) 0.1340(8) -0.0526(7) 0.045(3) Uani 1 1 d . . .
C5A C 0.0473(5) 0.0496(9) -0.0776(10) 0.049(4) Uani 1 1 d . . .
H5A H 0.0654 -0.0091 -0.0615 0.058 Uiso 1 1 d R . .
C6A C -0.0030(5) 0.0416(9) -0.1250(9) 0.048(4) Uani 1 1 d . . .
H6A H -0.0180 -0.0204 -0.1389 0.058 Uiso 1 1 d R . .
C7A C -0.0325(5) 0.1281(10) -0.1522(9) 0.046(3) Uani 1 1 d . . .
O7A O -0.0787(3) 0.1342(7) -0.1987(6) 0.051(2) Uani 1 1 d . . .
N8A N -0.0054(4) 0.2151(8) -0.1272(7) 0.037(2) Uani 1 1 d . . .
N1B N 0.0668(4) 0.4790(8) 0.2381(7) 0.048(3) Uani 1 1 d . . .
C2B C 0.0839(5) 0.4761(9) 0.1537(9) 0.042(3) Uani 1 1 d . . .
H2B H 0.0858 0.5327 0.1147 0.050 Uiso 1 1 d R . .
N3B N 0.0993(3) 0.3869(7) 0.1224(6) 0.031(2) Uani 1 1 d . . .
C3AB C 0.0906(4) 0.3245(9) 0.1960(8) 0.034(3) Uani 1 1 d . . .
N4B N 0.0994(5) 0.2295(8) 0.2020(8) 0.054(3) Uani 1 1 d . . .
C5B C 0.0829(7) 0.1890(12) 0.2864(12) 0.077(5) Uani 1 1 d . . .
H5B H 0.0862 0.1208 0.2942 0.093 Uiso 1 1 d R . .
C6B C 0.0626(7) 0.2385(11) 0.3591(11) 0.074(5) Uani 1 1 d . . .
H6B H 0.0536 0.2030 0.4140 0.089 Uiso 1 1 d R . .
C7B C 0.0539(6) 0.3413(12) 0.3561(11) 0.070(5) Uani 1 1 d . . .
O7B O 0.0390(5) 0.3971(8) 0.4158(7) 0.082(4) Uani 1 1 d . . .
N8B N 0.0697(5) 0.3800(9) 0.2662(8) 0.055(3) Uani 1 1 d . . .
N1P N 0.3334(4) 0.1673(6) 0.1274(6) 0.030(2) Uani 1 1 d . . .
C2P C 0.2803(4) 0.1569(8) 0.1084(8) 0.029(3) Uani 1 1 d . . .
N3P N 0.2486(4) 0.1715(7) 0.1748(7) 0.035(2) Uani 1 1 d . . .
C4P C 0.2708(5) 0.1926(9) 0.2682(9) 0.041(3) Uani 1 1 d . . .
H4P H 0.2493 0.2033 0.3176 0.050 Uiso 1 1 d R . .
C5P C 0.3233(5) 0.1993(10) 0.2953(9) 0.046(3) Uani 1 1 d . . .
H5P H 0.3374 0.2123 0.3622 0.055 Uiso 1 1 d R . .
C6P C 0.3558(5) 0.1863(9) 0.2214(8) 0.039(3) Uani 1 1 d . . .
H6P H 0.3920 0.1908 0.2373 0.046 Uiso 1 1 d R . .
N7P N 0.2953(3) 0.1093(6) -0.0577(6) 0.029(2) Uani 1 1 d . . .
C8P C 0.2597(4) 0.1247(8) 0.0052(8) 0.028(3) Uani 1 1 d . . .
N9P N 0.2089(4) 0.1178(6) -0.0212(7) 0.033(2) Uani 1 1 d . . .
C10P C 0.1924(4) 0.0847(8) -0.1163(9) 0.036(3) Uani 1 1 d . . .
H10P H 0.1566 0.0777 -0.1376 0.043 Uiso 1 1 d R . .
C11P C 0.2268(4) 0.0613(9) -0.1822(8) 0.036(3) Uani 1 1 d . . .
H11P H 0.2152 0.0361 -0.2464 0.044 Uiso 1 1 d R . .
C12P C 0.2792(5) 0.0760(9) -0.1498(8) 0.038(3) Uani 1 1 d . . .
H12P H 0.3036 0.0624 -0.1933 0.045 Uiso 1 1 d R . .
O1W O 0.1480(4) -0.0305(7) 0.1116(7) 0.070(3) Uani 1 1 d . . .
O2W O 0.1823(7) 0.1328(11) 0.4661(11) 0.144(6) Uani 1 1 d . . .
N1N N 0.2018(8) 0.3902(12) 0.4198(12) 0.097(6) Uani 1 1 d . . .
O1N O 0.2072(9) 0.3748(12) 0.5019(10) 0.183(9) Uani 1 1 d . . .
O2N O 0.2083(7) 0.4576(10) 0.3704(9) 0.138(7) Uani 1 1 d . . .
O3N O 0.1815(7) 0.3189(11) 0.3641(13) 0.142(6) Uani 1 1 d . . .
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
Pt N3A 2.008(9) . ?
Pt N3B 2.011(8) . ?
Pt N1P 2.022(9) 7 ?
Pt N7P 2.021(8) 7 ?
Pt Ag 3.0684(12) . ?
Ag N4B 2.255(10) . ?
Ag N9P 2.438(9) . ?
Ag O1W 2.462(9) . ?
Ag N4A 2.509(10) . ?
N1A C2A 1.296(14) . ?
N1A N8A 1.357(13) . ?
C2A N3A 1.358(13) . ?
N3A C3AA 1.375(14) . ?
C3AA N4A 1.321(15) . ?
C3AA N8A 1.367(14) . ?
N4A C5A 1.340(15) . ?
C5A C6A 1.366(16) . ?
C6A C7A 1.413(16) . ?
C7A O7A 1.265(13) . ?
C7A N8A 1.384(15) . ?
N1B C2B 1.264(13) . ?
N1B N8B 1.389(14) . ?
C2B N3B 1.353(14) . ?
N3B C3AB 1.335(14) . ?
C3AB N4B 1.305(15) . ?
C3AB N8B 1.367(14) . ?
N4B C5B 1.371(16) . ?
C5B C6B 1.342(18) . ?
C6B C7B 1.407(19) . ?
C7B O7B 1.197(16) . ?
C7B N8B 1.419(16) . ?
N1P C6P 1.328(12) . ?
N1P C2P 1.363(13) . ?
N1P Pt 2.022(9) 7 ?
C2P N3P 1.301(13) . ?
C2P C8P 1.468(14) . ?
N3P C4P 1.325(13) . ?
C4P C5P 1.354(16) . ?
C5P C6P 1.389(16) . ?
N7P C12P 1.318(13) . ?
N7P C8P 1.344(13) . ?
N7P Pt 2.021(8) 7 ?
C8P N9P 1.309(13) . ?
N9P C10P 1.354(13) . ?
C10P C11P 1.369(15) . ?
C11P C12P 1.374(15) . ?
N1N O1N 1.103(16) . ?
N1N O2N 1.149(16) . ?
N1N O3N 1.282(17) . ?
