#------------------------------------------------------------------------------
#$Date: 2009-11-14 13:09:05 +0000 (Sat, 14 Nov 2009) $
#$Revision: 846 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005530.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_2005530
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year       1996
_journal_page_first    	2427
_journal_page_last    	2429
_publ_section_title
;
trans-Tetraaquabis(N,N',N''-tricyanomelamine)cobalt(II) Hexahydrate
;
_chemical_formula_iupac    	'[Co (C6 H2 N9)2 (H2 O)4], 6H2 O1'
_chemical_formula_sum    	'C12 H24 Co N18 O10'
_chemical_formula_weight    	639.37
_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    	6.663(2)
_cell_length_b    	6.861(3)
_cell_length_c    	15.721(2)
_cell_angle_alpha    	93.16(3)
_cell_angle_beta    	94.31(2)
_cell_angle_gamma    	111.13(3)
_cell_volume    	665.8(4)
_cell_formula_units_Z    	1
_exptl_crystal_density_diffrn    	1.595
_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
    Co 1 0 0 0 0.03247(15)
    N1 1 0.1254(2) -0.1208(2) -0.40919(9) 0.0291(3)
    HN1 1 0.2589(41) -0.0494(36) -0.4116(15) 0.036(5)
    N2 1 -0.2178(2) -0.3233(2) -0.46806(9) 0.0318(3)
    HN2 1 -0.2977(37) -0.3936(35) -0.5117(15) 0.034(5)
    N3 1 -0.1666(2) -0.1890(2) -0.32340(9) 0.0305(3)
    N4 1 0.0532(2) -0.2706(2) -0.55340(9) 0.0343(3)
    N5 1 0.4308(3) -0.1303(3) -0.58812(11) 0.0448(4)
    N6 1 -0.5071(2) -0.4085(2) -0.39117(10) 0.0348(3)
    N7 1 -0.6882(3) -0.4157(4) -0.25941(13) 0.0595(5)
    N8 1 0.1924(2) 0.0130(2) -0.27037(9) 0.0335(3)
    N9 1 0.0941(3) 0.0406(3) -0.12382(10) 0.0410(4)
    C1 1 -0.0045(2) -0.2361(2) -0.47826(10) 0.0276(3)
    C2 1 -0.2961(3) -0.3043(3) -0.39084(10) 0.0285(3)
    C3 1 0.0444(3) -0.0998(3) -0.33228(10) 0.0275(3)
    C4 1 0.2583(3) -0.1910(3) -0.56789(10) 0.0321(4)
    C5 1 -0.5942(3) -0.4071(3) -0.31829(13) 0.0386(4)
    C6 1 0.1288(3) 0.0247(3) -0.19346(11) 0.0322(4)
    O1 1 0.1928(3) 0.3137(2) 0.04206(11) 0.0513(4)
    H1A 1 0.1626(71) 0.3828(63) 0.0874(21) 0.108(10)
    H1B 1 0.2146(72) 0.3914(63) -0.0029(22) 0.108(10)
    O2 1 0.2639(3) -0.0793(3) 0.03380(10) 0.0512(4)
    H2A 1 0.3068(53) -0.0784(52) 0.0892(14) 0.072(6)
    H2B 1 0.3053(52) -0.1632(45) 0.0001(18) 0.072(6)
    O3 1 0.3538(2) -0.0720(3) 0.20893(9) 0.0459(3)
    H3A 1 0.4774(43) -0.0516(58) 0.2373(23) 0.086(8)
    H3B 1 0.2875(57) 0.0047(53) 0.2345(23) 0.086(8)
    O4 1 -0.3540(3) 0.3773(3) 0.06728(12) 0.0583(4)
    H4A 1 -0.2787(89) 0.4305(91) 0.1195(22) 0.161(16)
    H4B 1 -0.5005(39) 0.3219(86) 0.0611(39) 0.161(16)
    O5 1 0.1018(4) -0.4960(3) 0.1794(2) 0.0792(6)
    H5A 1 0.1863(71) -0.3570(41) 0.1917(31) 0.129(13)
    H5B 1 0.0125(71) -0.5292(78) 0.2213(26) 0.129(13)