#------------------------------------------------------------------------------
#$Date: 2009-11-16 03:43:51 +0200 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2005716.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_2005716
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year       1996
_journal_page_first    	2984
_journal_page_last    	2987
_publ_section_title
;
cis-Diaquabis(2,2'-bipyrimidine-N,N')cobalt(II) Diperchlorate Dihydrate,
[Co(C~8~H~6~N~4~)~2~(H~2~O)~2~](ClO~4~).2H~2~O
;
_chemical_formula_iupac    	'[Co (C8 H6 N4)2 (H2 O)2] (Cl O4)2 , 2H2 O'
_chemical_formula_sum    	'C16 H20 Cl2 Co N8 O12'
_chemical_formula_structural  '[Co (C8 H6 N4)2 (H2 O)2] [Cl O4]2 , 2H2 O'
_chemical_formula_weight    	646.24
_symmetry_cell_setting    	'monoclinic'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_[local]_cod_cif_authors_sg_H-M  'C 2/c'
loop_
_symmetry_equiv_pos_as_xyz
    'x, y, z'
    'x, -y, z+1/2'
    'x+1/2, y+1/2, z'
    'x+1/2, -y+1/2, z+1/2'
    '-x, -y, -z'
    '-x, y, -z-1/2'
    '-x+1/2, -y+1/2, -z'
    '-x+1/2, y+1/2, -z-1/2'
_cell_length_a    	18.104(3)
_cell_length_b    	7.6912(11)
_cell_length_c    	17.600(3)
_cell_angle_alpha    	90.00
_cell_angle_beta    	93.687(7)
_cell_angle_gamma    	90.00
_cell_volume    	2445.6(6)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.755
_exptl_crystal_density_meas    	1.75(1)
_cell_measurement_temperature    	295(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
    Co 1 0.0000 0.08286(5) 0.2500 0.0308(2)
    Cl 1 0.26408(3) 0.01254(8) 0.35975(3) 0.0403(2)
    O1 1 0.24095(13) 0.1155(3) 0.42067(12) 0.0672(6)
    O2A 0.702(10) 0.2159(2) -0.1326(6) 0.3475(4) 0.089(2)
    O3A 0.702(10) 0.3375(2) -0.0468(6) 0.3743(2) 0.0599(13)
    O4A 0.702(10) 0.2610(4) 0.1153(7) 0.2926(2) 0.098(2)
    O2B 0.298(10) 0.2078(6) -0.031(3) 0.3092(6) 0.107(5)
    O3B 0.298(10) 0.2993(15) -0.1330(18) 0.3902(9) 0.204(13)
    O4B 0.298(10) 0.3167(7) 0.1121(16) 0.3223(7) 0.096(5)
    O5 1 -0.06147(10) -0.1231(3) 0.19878(11) 0.0493(4)
    O6 1 0.02316(11) 0.6620(3) 0.11984(10) 0.0498(4)
    N1 1 -0.05753(9) 0.2678(2) 0.17916(9) 0.0333(4)
    N2 1 -0.07176(10) 0.3580(3) 0.05057(10) 0.0376(4)
    N3 1 0.06332(9) 0.0894(2) 0.15212(10) 0.0320(4)
    N4 1 0.05268(10) 0.1729(3) 0.02222(10) 0.0407(4)
    C1 1 -0.11452(13) 0.3677(3) 0.19585(13) 0.0400(5)
    H1 1 -0.12977 0.3685 0.24531 0.048
    C2 1 -0.15115(12) 0.4695(3) 0.14136(15) 0.0433(5)
    H2 1 -0.18931 0.5436 0.15332 0.052
    C3 1 -0.12877(13) 0.4568(3) 0.06840(14) 0.0437(5)
    H3 1 -0.15434 0.5196 0.02994 0.052
    C4 1 -0.03740(11) 0.2722(3) 0.10718(11) 0.0307(4)
    C5 1 0.03031(11) 0.1722(3) 0.09239(11) 0.0305(4)
    C6 1 0.12472(12) -0.0008(3) 0.14010(14) 0.0392(5)
    H6 1 0.14940 -0.0589 0.18055 0.047
    C7 1 0.15204(13) -0.0092(3) 0.06890(14) 0.0434(6)
    H7 1 0.19435 -0.0727 0.06008 0.052
    C8 1 0.11387(14) 0.0804(4) 0.01179(14) 0.0464(6)
    H8 1 0.13132 0.0768 -0.03674 0.056
    H5A 1 -0.0369 -0.191(4) 0.1778 0.071(5)
    H5B 1 -0.0994 -0.128(5) 0.1769 0.071(5)
    H6A 1 0.0643 0.619(5) 0.130(2) 0.071(5)
    H6B 1 0.021(2) 0.689(5) 0.0810 0.071(5)