#------------------------------------------------------------------------------
#$Date: 2009-11-14 13:09:05 +0000 (Sat, 14 Nov 2009) $
#$Revision: 846 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005036.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_2005036
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year       1996
_journal_page_first     1405
_journal_page_last     1407
_publ_section_title
;
Dibromo-[N-(2-pyridylmethylidene)-2-pyridylmethylamine-N,N',N'']copper(II)
Complex
;
_chemical_formula_iupac     '[Cu Br2 (C12 H11 N3)]'
_chemical_formula_sum     'C12 H11 Br2 Cu N3'
_chemical_formula_weight     420.60
_symmetry_cell_setting    'Monoclinic'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
_symmetry_space_group_name_H-M     'P 21/n'
_cell_length_a     7.941(3)
_cell_length_b     12.810(4)
_cell_length_c     13.509(4)
_cell_angle_alpha     90.00
_cell_angle_beta     90.93
_cell_angle_gamma     90.00
_cell_volume     1374.0(8)
_cell_formula_units_Z     4
_exptl_crystal_density_diffrn     2.033
_cell_measurement_temperature     293(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Br1 1  .13491(7)  .27353(5)  .35676(4)  .0441(2)
Br2 1  .54997(8)  .14313(5)  .25117(4)  .0474(2)
Cu1 1  .41313(8)  .17649(5)  .40608(5)  .0353(2)
N1 1  .5548(6)  .3027(4)  .4481(3)  .0384(11)
N2 1  .3818(6)  .1730(4)  .5501(3)  .0372(11)
N3 1  .3038(5)  .0333(3)  .4208(3)  .0361(11)
C1 1  .6547(8)  .3607(5)  .3924(5)  .054(2)
H1A 1  .6642(8)  .3417(5)  .3240(5)  .080
C2 1  .7476(9)  .4428(5)  .4309(6)  .066(2)
H2A 1  .8171(9)  .4845(5)  .3889(6)  .080
C3 1  .7387(9)  .4644(5)  .5303(6)  .068(2)
H3A 1  .8025(9)  .5206(5)  .5592(6)  .080
C4 1  .6388(8)  .4052(5)  .5872(5)  .056(2)
H4A 1  .6319(8)  .4211(5)  .6565(5)  .080
C5 1  .5478(7)  .3241(4)  .5458(4)  .0428(15)
C6 1  .4409(8)  .2542(5)  .6033(4)  .054(2)
H6A  .50  .4151(8)  .2656(5)  .6716(4)  .080
H6B  .50  .3474(8)  .2933(5)  .6279(4)  .080
H6C  .50  .5042(8)  .2283(5)  .6592(4)  .080
C7 1  .2948(7)  .0914(5)  .5890(4)  .046(2)
H7A  .50  .2645(7)  .0868(5)  .6573(4)  .080
H7B  .50  .3610(7)  .0603(5)  .6413(4)  .080
H7C  .50  .1924(7)  .1168(5)  .6170(4)  .080
C8 1  .2536(6)  .0108(4)  .5134(4)  .0369(14)
C9 1  .1677(7)  -.0798(5)  .5344(4)  .044(2)
H9A 1  .1384(7)  -.0956(5)  .6015(4)  .080
C10 1  .1290(7) -0.1493(5)  .4591(5)  .049(2)
H10A 1  .0644(7) -0.2110(5)  .4722(5)  .080
C11 1  .1792(7) -0.1267(5)  .3653(5)  .048(2)
H11A 1  .1570(7) -0.1749(5)  .3123(5)  .080
C12 1  .2657(7)  -.0348(4)  .3484(4)  .0421(14)
H12A 1  .2989(7)  -.0180(4)  .2823(4)  .080