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#$Date: 2011-09-17 23:27:16 +0300 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2005686.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2005686
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year      1996
_journal_page_first 	2752
_journal_page_last 	2754
_publ_section_title
;
A \m-Oxamidato-Bridged Dinuclear Copper(II) Complex
;
_chemical_formula_iupac '[Cu2 (C6 H12 N4 O2) (C8 H6 N2)2 (H2 O)2] (Cl O4)2'
_chemical_formula_moiety 	'C11 H14 Cu N4 O2 , Cl O4'
_chemical_formula_sum            'C11 H14 Cl Cu N4 O6'
_[local]_cod_chemical_formula_sum_orig 'C11 H14 O6 N4 Cl Cu'
_chemical_formula_weight 	397.26
_symmetry_cell_setting 	triclinic
loop_
_symmetry_equiv_pos_as_xyz
 'x,y,z'
 '-x,-y,-z'
_symmetry_space_group_name_H-M 	'P -1'
_cell_length_a 	6.936(2)
_cell_length_b 	9.747(3)
_cell_length_c 	12.057(1)
_cell_angle_alpha 	101.81(1)
_cell_angle_beta 	102.65(2)
_cell_angle_gamma 	112.03(1)
_cell_volume 	699.2(3)
_cell_formula_units_Z 	2
_exptl_crystal_density_diffrn 	1.892
_cell_measurement_temperature 	293(1)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
 Cu -.14962(5) .10383(3) -.17221(2) 1.989(6)
 O1 .1176(4) .3298(3) -.1253(2) 4.76(6)
 N11 -.2035(3) .0290(2) -.3485(2) 2.09(4)
 N1 -.3559(3) .2187(2) -.1643(2) 2.48(4)
 C2 -.4344(4) .2054(3) -.0605(2) 3.07(6)
 C3 -.2584(4) .2092(3) .0410(2) 2.27(5)
 N4 -.1453(3) .1186(2) -.0107(2) 2.21(4)
 C5 -.0501(3) .0405(3) .0402(2) 1.94(5)
 O51 -.0317(3) .0236(2) .1436(1) 2.30(3)
 O103 .2834(6) .4552(3) .1229(3) 10.7(1)
 Cl .4084(1) .41754(7) .21281(6) 3.40(2)
 O101 .3973(3) .2678(2) .1740(2) 4.34(5)
 O102 .3451(6) .4395(4) .3150(3) 10.3(1)
 O104 .6141(5) .5105(4) .2425(3) 8.9(1)
 N14 -.2970(3) -.1115(2) -.5905(2) 2.72(5)
 C12 -.2476(4) -.1144(3) -.3890(2) 2.39(5)
 C13 -.2972(4) -.1843(3) -.5107(2) 2.67(6)
 C15 -.2475(4) .0379(3) -.5505(2) 2.24(5)
 C16 -.2038(3) .1106(3) -.4293(2) 2.01(5)
 C17 -.1623(4) .2643(3) -.3937(2) 2.64(6)
 C18 -.1655(4) .3410(3) -.4769(2) 3.21(6)
 C19 -.2023(5) .2702(3) -.5961(2) 3.40(6)
 C20 -.2423(4) .1220(3) -.6331(2) 3.07(6)
 H17 -.143(6) .310(4) -.314(3) 4.0
 H12 -.244(6) -.171(4) -.334(3) 4.0
 H31 -.306(6) .172(4) .102(3) 4.0
 H20 -.263(6) .073(4) -.713(3) 4.0
 HN12 -.290(6) .312(4) -.154(3) 4.0
 HN11 -.450(6) .202(4) -.227(3) 4.0
 H19 -.195(6) .326(4) -.648(3) 4.0
 H21 -.545(6) .108(4) -.082(3) 4.0
 H13 -.331(6) -.284(4) -.538(3) 4.0
 H22 -.481(6) .287(4) -.037(3) 4.0
 H18 -.153(6) .435(4) -.456(3) 4.0
 HW11 .174(6) .370(4) -.058(3) 4.0
 HW12 .195(6) .366(4) -.157(3) 4.0
 H32 -.174(6) .303(4) .073(3) 4.0
_cod_database_code 2005686