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#$Date: 2012-02-03 19:16:24 +0200 (Fri, 03 Feb 2012) $
#$Revision: 32112 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/07/2000780.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_2000780
loop_
_publ_author_name
'Arrieta, J. M.'
'Germain, G.'
'Vlassi, M.'
'Craciunescu, D. G.'
'Parrondo Iglesias, E.'
'Debaerdemaeker, T.'
_publ_section_title
;
 Bis[2-(2-hydroxyethyl)piperazinium] hexachloroosmate(IV) dichloride
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1305
_journal_page_last               1307
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         '2(C6 H15 N2 O1),Cl6 Os1,2(H1 Cl1)'
_chemical_formula_sum            'C12 H32 Cl8 N4 O2 Os'
_chemical_formula_weight         738.2
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.06(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.252(3)
_cell_length_b                   9.176(2)
_cell_length_c                   11.974(8)
_cell_volume                     1219.4(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    6.14
_exptl_crystal_density_diffrn    2.01
_exptl_crystal_F_000             720
_[local]_cod_data_source_file    ab0247.cif
_[local]_cod_data_source_block   ab0247a
_[local]_cod_chemical_formula_sum_orig 'C12 H32 Cl8 N4 O2 Os1'
_cod_original_cell_volume        1219.0(10)
_cod_database_code               2000780
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Os .0 .0 .0
Cl(1) .1023(4) .2169(5) .0108(5)
Cl(2) -.1557(4) .1269(6) .0210(5)
Cl(3) -.1002(4) .0213(7) -.2151(4)
N(1) .1694(16) .364(2) .3274(18)
C(2) .1077(13) .500(2) .2616(12)
C(3) -.0221(18) .467(2) .1756(19)
N(4) -.0857(19) .402(2) .251(2)
C(5) -.0256(17) .265(2) .3164(17)
C(6) .1062(18) .297(3) .3974(18)
C(7) .1691(19) .565(2) .1882(18)
C(8) .2863(18) .640(2) .2660(19)
O(9) .3797(13) .5464(17) .3452(15)
Cl(4) .0819(4) .7038(6) .4546(4)
H1A .1709(16) .287(2) .2601(18)
H1B .2606(16) .391(2) .3908(18)
H2 .1114(13) .577(2) .3312(12)
H3A -.0671(18) .566(2) .1306(19)
H3B -.0244(18) .389(2) .1069(19)
H4A -.1782(19) .378(2) .190(2)
H4B -.0834(19) .481(2) .318(2)
H5A -.0693(17) .226(2) .3724(17)
H5B -.0322(17) .183(2) .2492(17)
H6A .1506(18) .196(3) .4373(18)
H6B .1119(18) .370(3) .4700(18)
H7A .1879(19) .479(2) .1377(18)
H7B .1088(19) .643(2) .1242(18)
H8A .2686(18) .719(2) .3229(19)
H8B .3179(18) .695(2) .2055(19)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Os Cl(1) 2.326(4)
Os Cl(2) 2.338(5)
Os Cl(3) 2.346(4)
N(1) C(2) 1.49(3)
N(1) C(6) 1.50(3)
C(2) C(3) 1.51(3)
C(2) C(7) 1.50(3)
C(3) N(4) 1.54(3)
N(4) C(5) 1.50(3)
C(5) C(6) 1.52(3)
C(7) C(8) 1.51(3)
C(8) O(9) 1.42(3)