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#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/07/2000742.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_2000742
loop_
_publ_author_name
'Tyršelová, J.'
'Pavelčík, F.'
_publ_section_title
;
 Structure of 1,6-hexanediammonium metavanadate
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1207
_journal_page_last               1209
_journal_paper_doi               10.1107/S0108270191014269
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C6 H18 N2,O6 V2'
_chemical_formula_sum            'C6 H18 N2 O6 V2'
_chemical_formula_weight         316.10
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.379(4)
_cell_length_b                   11.074(9)
_cell_length_c                   19.582(17)
_cell_volume                     1166.4(16)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.565
_exptl_crystal_density_diffrn    1.800
_exptl_crystal_density_meas      1.760(10)
_exptl_crystal_F_000             648
_cod_data_source_file            ab0238.cif
_cod_data_source_block           ab0238a
_cod_original_cell_volume        1166.4(17)
_cod_database_code               2000742
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
V(1) .20980(10) .15430(10) .20610(10)
O(1) .02030(10) .10570(10) .27600(10)
O(2) .19810(10) .30140(10) .20100(10)
O(3) .1058(2) .09720(10) .13590(10)
N(1) .2195(2) .10300(10) .83900(10)
C(1) .4059(2) .01070(10) .97240(10)
C(2) .3735(3) .14040(10) .95490(10)
C(3) .1735(2) .16570(10) .90400(10)
H(1) .237(3) -.0110(16) .9900(8)
H(2) .473(3) -.0256(11) .9295(7)
H(3) .315(4) .1727(16) 1.0002(9)
H(4) .563(3) .1690(12) .9391(6)
H(5) -.001(3) .1407(10) .9217(6)
H(6) .173(2) .2444(11) .8943(6)
H(7) .129(3) .1348(11) .8041(6)
H(8) .386(3) .1097(11) .8227(6)
H(9) .185(2) .0314(11) .8414(6)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
V(1) O(1) 1.7890(10)
V(1) O(2) 1.6330(10)
C(3) C(2) 1.492(2)
V(1) O(3) 1.6130(10)
V(1) O(1) 1.7890(10)
C(1) C(2) 1.488(2)
C(3) N(1) 1.4710(10)
