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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/10/2001044.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_2001044
loop_
_publ_author_name
'Jin, S.'
'Nieuwenhuyzen, M.'
'Robinson, W. T.'
'Wilkins, C. J.'
_publ_section_title
;
 Structures of dichlorobis(trimethylamine oxide)cobalt(II),
 diiodobis(trimethylamine oxide)cobalt(II), dichlorobis(trimethylamine
 oxide)zinc and dibromobis(trimethylamine oxide)zinc
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              274
_journal_page_last               279
_journal_paper_doi               10.1107/S0108270191010223
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C6 H18 Co I2 N2 O2'
_chemical_formula_weight         462.95
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.742(4)
_cell_length_b                   11.291(3)
_cell_length_c                   10.404(3)
_cell_volume                     1379.4(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    5.653
_exptl_crystal_density_diffrn    2.23
_exptl_crystal_density_meas      2.15
_exptl_crystal_F_000             868
_cod_data_source_file            mu0274.cif
_cod_data_source_block           mu0274b
_cod_original_formula_sum        'C6 H18 Co1 I2 N2 O2'
_cod_database_code               2001044
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
I .46000(10) .20970(10) .53970(10) .0160(10)
Co .5000 .33660(10) .7500 .0120(10)
O .6314(3) .4187(4) .6849(4) .170(10)
N .7085(3) .4865(4) .7601(5) .0140(10)
C(1) .6458(5) .5516(6) .8638(6) .021(2)
C(2) .7635(5) .5721(6) .6693(6) .021(2)
C(3) .7958(5) .4050(6) .8154(6) .021(2)
H(1A) .6108 .4955 .9208 ?
H(1B) .6986 .5997 .9111 ?
H(1D) .5882 .6011 .8263 ?
H(2A) .8029 .5292 .6032 ?
H(2D) .7064 .6217 .6310 ?
H(2B) .8168 .6203 .7158 ?
H(3D) .7599 .3503 .8732 ?
H(3A) .8325 .3620 .7474 ?
H(3B) .8514 .4507 .8614 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
I Co 2.6580(10)
N C(1) 1.499(8)
N C(3) 1.493(8)
Co O 1.923(4)
O N 1.421(6)
N C(2) 1.497(8)
