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#$Date: 2022-07-11 00:02:25 +0300 (Mon, 11 Jul 2022) $
#$Revision: 276741 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/72/1567268.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_1567268
loop_
_publ_author_name
'Kalinina, I. V.'
'Pervukhina, N. V.'
'Podberezskaya, N. V.'
'Fedin, V. P.'
_publ_section_title
;
 Cubane Tellurido Clusters [Zn(NH3)4]3[Mo4Te4(CN)12] and
 [Cd(NH3)4]3[W4Te4(CN)12]: Syntheses and Crystal Structures
;
_journal_issue                   6
_journal_name_full               'Russian Journal of Coordination Chemistry'
_journal_page_first              389
_journal_page_last               393
_journal_paper_doi               10.1023/A:1016072510161
_journal_volume                  28
_journal_year                    2002
_chemical_formula_moiety         '3(H12 N4 Cd), C12 W4 N12 Te4'
_chemical_formula_sum            'C12 H36 Cd3 N24 Te4 W4'
_chemical_formula_weight         2099.65
_space_group_crystal_system      cubic
_space_group_IT_number           218
_space_group_name_Hall           'P -4n 2 3'
_space_group_name_H-M_alt        'P -4 3 n'
_symmetry_Int_Tables_number      218
_symmetry_space_group_name_H-M   'P -4 3 n'
_audit_creation_method           'manually at INEOS RAS'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.809(2)
_cell_length_b                   12.809(2)
_cell_length_c                   12.809(2)
_cell_volume                     2101.6(6)
_diffrn_ambient_temperature      295
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_exptl_crystal_density_diffrn    3.318
_refine_ls_R_factor_gt           0.0243
_refine_ls_wR_factor_ref         0.0390
_cod_data_source_file            R36-37old.cif
_cod_data_source_block           compound_R37old
_cod_original_formula_sum        'C12 H36 W4 N24 Te4 Cd3'
_cod_database_code               1567268
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 z,x,y
3 y,z,x
4 x,-y,-z
5 z,-x,-y
6 y,-z,-x
7 -x,y,-z
8 -z,x,-y
9 -y,z,-x
10 -x,-y,z
11 -z,-x,y
12 -y,-z,x
13 1/2+y,1/2+x,1/2+z
14 1/2+x,1/2+z,1/2+y
15 1/2+z,1/2+y,1/2+x
16 1/2-y,1/2+x,1/2-z
17 1/2-x,1/2+z,1/2-y
18 1/2-z,1/2+y,1/2-x
19 1/2+y,1/2-x,1/2-z
20 1/2+x,1/2-z,1/2-y
21 1/2+z,1/2-y,1/2-x
22 1/2-y,1/2-x,1/2+z
23 1/2-x,1/2-z,1/2+y
24 1/2-z,1/2-y,1/2+x
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
Cd Cd 0.0 0.2500 0.5000 0.118(2)
W W -0.0819(1) -0.0819(1) -0.0819(1) 0.026(1)
Te Te 0.1207(1) -0.1207(1) -0.1207(1) 0.030(1)
C C -0.0950(20) -0.2491(9) -0.0970(20) 0.038(4)
N(1) N -0.0990(17) -0.3371(9) -0.1154(16) 0.051(4)
N(2) N 0.1260(14) 0.1447(13) 0.4295(10) 0.066(5)
