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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/19/2001972.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_2001972
loop_
_publ_author_name
'Herdtweck, E.'
'Kreusel, U.'
_publ_section_title
;
 Structure of tetrakis(dimethylammonium) chloride
 hexachlorobismuthate(III),
 {[(CH~3~)~2~NH~2~]^+^}~4~.Cl^{--^}.[BiCl~6~]^3{--^}
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              318
_journal_page_last               320
_journal_paper_doi               10.1107/S0108270192007017
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         '4(C2 H8 N1), Cl1, Bi1 Cl6'
_chemical_formula_sum            'C8 H32 Bi Cl7 N4'
_chemical_formula_weight         641.5
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.3420(10)
_cell_length_b                   13.5100(10)
_cell_length_c                   8.6930(10)
_cell_volume                     1214.6(2)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    20.01
_exptl_crystal_density_diffrn    1.754
_exptl_crystal_F_000             620
_[local]_cod_data_source_file    se1009.cif
_[local]_cod_data_source_block   se1009_structure_1_of_1
_[local]_cod_chemical_formula_sum_orig 'C8 H32 Bi1 Cl7 N4'
_cod_original_cell_volume        1215
_cod_database_code               2001972
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Bi .5 .0 .06444(7) .0478(2)
Cl(1) .7318(3) .0939(3) .0612(5) .0714(12)
Cl(2) .4103(4) .1386(3) -.1381(5) .0724(13)
Cl(3) .5749(5) -.1210(5) .2893(6) .0979(19)
Cl(4) .0 .0 .4991(11) .152(5)
N(1) .121(2) .1886(14) .008(3) .118(9)
C(11) .063(3) .140(2) -.128(3) .113(10)
C(12) .093(2) .1386(18) .150(3) .109(10)
N(2) .2368(17) .4056(14) .5381(17) .087(6)
C(21) .180(3) .432(2) .394(3) .125(11)
C(22) .258(3) .3048(18) .540(3) .117(11)
H(11) .088(2) .2542(14) .015(3) ?
H(12) .212(2) .1905(14) -.005(3) ?
H(111) .084(3) .176(2) -.218(3) ?
H(112) -.029(3) .138(2) -.116(3) ?
H(113) .095(3) .074(2) -.136(3) ?
H(121) .132(2) .1730(18) .233(3) ?
H(122) .125(2) .0729(18) .146(3) ?
H(123) .002(2) .1367(18) .166(3) ?
H(21) .1803(17) .4233(14) .6198(17) ?
H(22) .3168(17) .4392(14) .5501(17) ?
H(211) .165(3) .502(2) .392(3) ?
H(212) .100(3) .399(2) .382(3) ?
H(213) .236(3) .415(2) .313(3) ?
H(221) .296(3) .2863(18) .635(3) ?
H(222) .314(3) .2873(18) .458(3) ?
H(233) .178(3) .2713(18) .528(3) ?
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
Cl(1) Bi Cl(2) 88.50(10)
Cl(1) Bi Cl(3) 92.2(2)
Cl(2) Bi Cl(3) 172.9(2)
C(11) N(1) C(12) 113(2)
C(21) N(1) C(22) 109(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
N(1) C(11) 1.48(4)
N(1) H(11) 0.95(3)
C(11) H(113) 0.95(4)
N(1) C(12) 1.44(4)
N(1) H(12) 0.95(3)
C(12) H(121) 0.95(4)
C(11) H(111) 0.95(4)
C(12) H(122) 0.95(3)
C(11) H(112) 0.95(4)
C(12) H(123) 0.95(3)
N(2) C(21) 1.43(3)
N(2) H(21) 0.95(2)
C(21) H(213) 0.95(4)
N(2) C(22) 1.38(3)
N(2) H(22) 0.95(3)
C(22) H(221) 0.95(4)
C(21) H(211) 0.95(4)
C(22) H(222) 0.95(4)
C(21) H(212) 0.95(4)
C(22) H(233) 0.95(5)
Bi Cl(1) 2.713(4)
Bi Cl(2) 2.732(4)
Bi Cl(3) 2.663(6)