#------------------------------------------------------------------------------
#$Date: 2016-12-12 09:17:37 +0100 (lun 12 de dic de 2016) $
#$Revision: 189067 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/05/2310513.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_2310513
loop_
_publ_author_name
'Wiesner, J. R.'
'di Vaira, M.'
'Srivastava, R. C.'
'Kennard, C. H. L.'
'Lingafelter, E. C.'
_publ_section_title
;
 The crystal structures of tetramethylammonium tetrachloro- cobaltate(II),
 -nickelate(II), and -zincate(II)
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              565
_journal_page_last               574
_journal_paper_doi               10.1107/S0365110X67003214
_journal_volume                  23
_journal_year                    1967
_chemical_formula_sum            'C8 H24 Cl4 N2 Zn'
_chemical_name_systematic        '(N (C H3)4)2 (Zn Cl4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.276
_cell_length_b                   8.998
_cell_length_c                   15.541
_cell_volume                     1716.650
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Wiesner_ACCRA9_1967_1392.cif
_cod_data_source_block           C8H24Cl4N2Zn1
_cod_original_cell_volume        1716.65
_cod_original_formula_sum        'C8 H24 Cl4 N2 Zn1'
_cod_database_code               2310513
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_attached_hydrogens
Cl3 Cl-1 0.3142 0.25 0.5414 1 0.0 0
C2 C 0.1098 0.25 0.0084 1 0.0 3
C3 C 0.1046 0.3708 0.1421 1 0.0 3
Cl2 Cl-1 0.3061 0.0456 0.3388 1 0.0 0
C5 C 0.4111 0.25 0.888 1 0.0 3
Zn1 Zn+2 0.2459 0.25 0.4068 1 0.0 0
C6 C 0.533 0.3756 0.8415 1 0.0 3
N2 N+1 0.4914 0.25 0.8256 1 0.0 0
C4 C 0.4436 0.25 0.7377 1 0.0 3
C1 C 0.2686 0.25 0.1012 1 0.0 3
Cl1 Cl-1 0.0631 0.25 0.4062 1 0.0 0
N1 N+1 0.1508 0.25 0.0954 1 0.0 0
