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#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
#$Revision: 278324 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/10/2001035.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_2001035
loop_
_publ_author_name
'Galešić, N.'
'Jordanovska, V. B.'
_publ_section_title
;
 Structures of dimethylammonium metal(III) sulfate hexahydrates (metal
 = Al, Cr)
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              256
_journal_page_last               258
_journal_paper_doi               10.1107/S0108270191009435
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C2 H8 N1,H12 Cr1 O6,2(O4 S1)'
_chemical_formula_sum            'C2 H20 Cr N O14 S2'
_chemical_formula_weight         398.29
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.87(6)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.391(8)
_cell_length_b                   10.748(3)
_cell_length_c                   11.400(10)
_cell_volume                     769.0(12)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.05
_exptl_crystal_density_diffrn    1.720
_exptl_crystal_density_meas      1.64
_exptl_crystal_F_000             414
_cod_data_source_file            ge0269.cif
_cod_data_source_block           ge0269b
_cod_original_cell_volume        769.0(10)
_cod_original_formula_sum        'C2 H20 Cr1 N1 O14 S2'
_cod_database_code               2001035
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,y+1/2,-z+1/2
3 -x,-y,-z
4 x+1/2,-y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cr .0 .5 .5 2.12(2)
S .06920(10) .18280(10) .24000(10) 2.90(2)
O(1) .2403(3) .4333(2) .4356(2) 2.91(6)
O(2) .2109(4) .5775(2) .6270(2) 3.62(7)
O(3) .0066(3) .3452(2) .5904(2) 3.51(7)
O(4) .0584(4) .0471(2) .2197(2) 3.75(7)
O(5) .2006(5) .2068(2) .3574(3) 5.01(9)
O(6) -.1484(4) .2324(2) .2366(2) 4.30(8)
O(7) .1605(5) .2430(3) .1461(3) 5.40(10)
N .0565(18) .4840(10) 1.0435(8) 8.6(4)
C .1442(10) .4736(6) .9395(6) 8.1(2)
H(11) .2559 .3569 .4196 ?
H(12) .3035 .4705 .3894 ?
H(21) .1920 .6421 .6725 ?
H(22) .3171 .5407 .6674 ?
H(31) -.0936 .3148 .6008 ?
H(32) .1012 .3197 .6279 ?
H(41) .0559 .4185 1.0995 ?
H(42) -.0419 .4338 .9989 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Cr O(1) 1.959(2)
Cr O(2) 1.967(2)
Cr O(3) 1.953(2)
S O(4) 1.476(2)
S O(5) 1.462(3)
S O(6) 1.483(2)
S O(7) 1.464(3)
N C 1.410(10)
O(1) H(11) 0.85
O(1) H(12) 0.83
O(2) H(21) 0.89
O(2) H(22) 0.84
O(3) H(31) 0.75
O(3) H(32) 0.73
N H(41) 0.95
N H(42) 0.91
