#------------------------------------------------------------------------------
#$Date: 2008-01-26 17:25:03 +0000 (Sat, 26 Jan 2008) $
#$Revision: 20 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005048.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_2005048
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    	C52
_journal_page_first    	1430
_journal_page_last    	1436
_publ_section_title
;
Les Compos\'es de la Metformine avec les Ions Co^II^, Cu^II^ et Ni^II^
;
_chemical_formula_sum    	'C8 H26 Cl2 Cu N10 O2 ]'
_chemical_formula_weight    	428.84
_symmetry_cell_setting    	monoclinic
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'-x,-y,-z'
'1/2+x,1/2+y,1/2-z'
'1/2-x,1/2-y,1/2+z'
_symmetry_space_group_name_H-M    	'P 1 1 21/n'
_cell_length_a    	15.059(9)
_cell_length_b    	5.153(5)
_cell_length_c    	11.570(9)
_cell_angle_alpha    	90
_cell_angle_beta    	90
_cell_angle_gamma    	95.83(6)
_cell_volume    	893(1)
_cell_formula_units_Z    	2
_exptl_crystal_density_diffrn    	1.59
_exptl_crystal_density_meas    	1.57(2)
_cell_measurement_temperature    	293(1)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu 0.5000 0.00000 0.0000 0.0400(1)
Cl 0.2846(2) 0.6794(5) -0.6583(2) 0.0700(3)
O 0.3997(5) 0.2222(14) -0.6883(6) 0.0700(9)
N(1) 0.4208(5) 0.2444(13) 0.0558(6) 0.0440(7)
N(2) 0.3248(6) 0.5696(6) 0.0488(7) 0.0690(9)
N(3) 0.3707(5) 0.4043(14) -0.1191(6) 0.0460(7)
N(4) 0.4717(5) 0.0998(14) -0.1571(6) 0.0460(7)
N(5) 0.4029(5) 0.3010(17) -0.3077(7) 0.0550(9)
C(1) 0.3745(5) 0.3971(14) -0.0001(10) 0.0430(7)
C(2) 0.4159(6) 0.2589(17) -0.1948(8) 0.0410(9)
C(51) 0.3365(7) 0.463(2) -0.3485(9) 0.0760(12)
C(52) 0.4538(7) 0.174(2) -0.3941(8) 0.0740(13)
H(1) 0.3816 0.3736 -0.6797 0.0756
H(2) 0.3546 0.0452 -0.6718 0.0756
H(10) 0.4307 0.3027 0.1347 0.0756
H(20) 0.2925 0.6678 0.0126 0.0756
H(21) 0.3199 0.5868 0.1214 0.0756
H(30) 0.3380 0.5379 -0.1517 0.0756
H(40) 0.5055 0.0318 -0.2197 0.0756
H(510) 0.2949 0.3796 -0.4032 0.0756
H(511) 0.2835 0.4689 -0.3085 0.0756
H(512) 0.3766 0.6386 -0.3350 0.0756
H(520) 0.4444 0.2226 -0.4739 0.0756
H(521) 0.4152 -0.0081 -0.4101 0.0756
H(522) 0.5232 0.2367 -0.3795 0.0756