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#$Date: 2018-06-17 08:03:28 +0200 (dom 17 de jun de 2018) $
#$Revision: 208452 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/03/2000348.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2000348
loop_
_publ_author_name
'Casellato, U.'
'Graziani, R.'
'Sánchez González, A.'
_publ_section_title
;
 Structure of dichlorobis(2-chloroimidazole)dimethyltin(IV)
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2125
_journal_page_last               2126
_journal_paper_doi               10.1107/S0108270192003822
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C8 H12 Cl4 N4 Sn'
_chemical_formula_weight         424.7
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.59(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.408(3)
_cell_length_b                   14.318(5)
_cell_length_c                   7.188(3)
_cell_volume                     703.9(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    2.37
_exptl_crystal_density_diffrn    2.003
_exptl_crystal_F_000             412
_cod_data_source_file            na1002.cif
_cod_data_source_block           na1002a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-17
;
_cod_original_cell_volume        704
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C8 H12 Cl4 N4 Sn1'
_cod_database_code               2000348
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,y+1/2,-z
3 -x,-y,-z
4 x+1/2,-y+1/2,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sn .0 .0 .0 .02470(10)
Cl(1) .0273(2) .24450(10) .2642(2) .0429(5)
Cl(2) -.2321(2) .01930(10) .1903(2) .0361(4)
N(1) -.0198(6) .1612(3) -.0867(6) .0290(10)
N(2) -.0286(7) .3148(3) -.0962(8) .037(2)
C(1) -.0040(8) .2386(3) .0186(8) .030(2)
C(2) -.0515(9) .2863(4) -.2855(9) .040(2)
C(3) -.0474(8) .1906(4) -.2801(8) .035(2)
C(4) .2490(7) .0221(4) .2720(7) .035(2)
H(N) -.025 .369 -.051 ?
H(2) -.059 .329 -.387 ?
H(3) -.064 .146 -.392 ?
H(5) .334 -.041 .308 ?
H(6) .195 .037 .389 ?
H(7) .340 .080 .261 ?
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
Cl(2) Sn C(4) 90.90(10)
C(4) Sn N(1) 92.3(2)
Sn N(1) C(3) 121.7(3)
N(1) C(1) Cl(1) 125.9(4)
N(1) C(1) N(2) 111.7(5)
N(2) C(2) C(3) 106.1(5)
Cl(2) Sn N(1) 92.80(10)
Sn N(1) C(1) 132.9(3)
C(1) N(1) C(3) 105.4(4)
N(2) C(1) Cl(1) 122.3(4)
C(1) N(2) C(2) 107.8(4)
C(2) C(3) N(1) 108.9(5)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Sn Cl(2) 2.591(2)
Sn N(1) 2.380(4)
N(1) C(3) 1.391(7)
C(1) Cl(1) 1.692(6)
C(2) C(3) 1.371(8)
Sn C(4) 2.134(4)
N(1) C(1) 1.321(6)
C(1) N(2) 1.337(7)
N(2) C(2) 1.368(9)
