#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2004088.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_2004088
_journal_name_full   'Acta Crystallographica'
_journal_year        1995
_journal_volume    'C51'
_journal_page_first     2275
_journal_page_last     2277
_publ_section_title
;
Diperchlorato[(2RS,5SR,9RS,12RS)-2,5,9,12-tetraazatridecane]copper(II)
;
_chemical_formula_moiety     'C9 H24 Cl2 Cu N4 O8'
_chemical_formula_sum     'C9 H24 Cl2 Cu N4 O8'
_chemical_formula_weight     450.76
_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     7.9490(10)
_cell_length_b     9.071(2)
_cell_length_c     14.032(4)
_cell_angle_alpha     77.58(2)
_cell_angle_beta     77.73(2)
_cell_angle_gamma     64.180(10)
_cell_volume     881.2(3)
_cell_formula_units_Z     2
_exptl_crystal_density_diffrn     1.699
_cell_measurement_temperature     298(3)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
Cu  .23616(6)  .79003(5)  .24900(3) 2.389(19)
Cl(1)  .35993(14)  .78562(13)  .47666(7) 3.62(5)
Cl(2)  -.02461(15)  .75187(13)  .05716(7) 3.76(5)
O(1)  .2338(7)  .9510(5)  .4767(3) 9.0(3)
O(2)  .2536(7)  .6896(7)  .5129(3) 9.4(4)
O(3)  .4984(5)  .7459(5)  .5362(2) 6.4(2)
O(4)  .4424(4)  .7592(4)  .37692(19) 4.69(18)
O(5)  .0839(6)  .7290(5)  -.0356(2) 7.4(3)
O(6) -0.2054(5)  .8748(6)  .0396(3) 8.8(3)
O(7)  -.0447(10)  .6096(6)  .1074(3) 12.0(5)
O(8)  .0564(5)  .8083(4)  .1151(2) 5.00(18)
N(1)  .4947(4)  .6758(4)  .1701(2) 3.17(14)
N(2)  .2620(4)  .5594(3)  .3105(2) 2.84(15)
N(3)  -.0203(4)  .9003(4)  .3256(2) 2.90(14)
N(4)  .2101(4) 1.0240(4)  .1922(2) 2.95(15)
C(1)  .4951(6)  .6879(5)  .0634(3) 4.2(2)
C(2)  .5727(6)  .4989(5)  .2170(3) 4.0(2)
C(3)  .4131(6)  .4440(4)  .2461(3) 3.8(2)
C(4)  .0899(6)  .5259(5)  .3339(3) 3.8(2)
C(5)  -.0676(6)  .6452(5)  .3961(3) 4.03(3)
C(6) -0.1526(5)  .8206(5)  .3433(3) 3.6(2)
C(7) -0.1030(5) 1.0730(4)  .2748(3) 3.44(18)
C(8)  .0479(6) 1.1381(4)  .2521(3) 3.5(2)
C(9)  .3750(7) 1.0642(6)  .1800(4) 4.8(3)
H(N1)  .593  .712  .186 2.6(10)
H(N2)  .317  .538  .371 2.1(9)
H(N3)  .001  .905  .390  .6(7)
H(N4)  .171 1.057  .129 2.6(10)
H(1)  .455  .798  .038 3.2(11)
H(2)  .617  .613  .035 2.4(10)
H(3)  .422  .618  .062 3.0(11)
H(4)  .631  .486  .282 2.7(10)
H(5)  .676  .423  .171 2.4(10)
H(6)  .352  .454  .188 1.0(8)
H(7)  .454  .330  .278 1.4(8)
H(8)  .050  .531  .271  .9(8)
H(9)  .126  .417  .370 2.0(9)
H(10) -0.163  .597  .416 2.8(10)
H(11) -0.014  .637  .457  .9(8)
H(12) -0.182  .826  .273 2.0(9)
H(13) -0.290  .886  .379 2.6(10)
H(14) -0.219 1.143  .317 1.1(8)
H(15) -0.150 1.063  .213 2.0(9)
H(16)  .094 1.142  .316 1.3(8)
H(17)  .004 1.245  .214 1.3(8)
H(18)  .417 1.038  .242 3.1(12)
H(19)  .346 1.188  .155 3.4(11)
H(20)  .472 1.001  .135 2.4(10)