#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2010453.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_2010453
loop_
_publ_author_name
'Viossat, B.'
'Tomas, A.'
'Nguyen-Huy Dung'
_publ_section_title
;
%T {\bf L'Hydrog\'enocarbonate de Bis N,N dim\'ethylbiguanide Cuivre (II)
[Cu(C4 H11 N5)2].(HCO3)2}
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              213
_journal_page_last               215
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C10 H24 Cu1 N10 O6'
_chemical_formula_sum            'C10 H24 Cu N10 O6'
_chemical_formula_weight         443.93
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                109.74(3)
_cell_angle_beta                 76.70(5)
_cell_angle_gamma                107.37(5)
_cell_formula_units_Z            1
_cell_length_a                   7.148(3)
_cell_length_b                   7.586(3)
_cell_length_c                   8.888(4)
_cell_measurement_temperature    295(2)
_cell_volume                     428.4(5)
_exptl_crystal_density_diffrn    1.721
_exptl_crystal_density_meas      1.71(2)
_refine_ls_R_factor_obs          0.05
_refine_ls_wR_factor_obs         0.04
_[local]_cod_chemical_formula_sum_orig 'C10 H24 Cu1 N10 O6'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_cell_measurement_temperature' value 'temp\'erature ambiante' was
changed to '295(2)' - the room/ambient temperature average [293;298]
in Kelvins(K) was taken.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               2010453
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu 1.0 .0 1.0 .0265(8)
N(1) 1.1282(6) .0753(6) .8086(5) .032(3)
N(2) 1.3876(6) .1798(7) .6268(5) .038(3)
N(3) 1.4543(6) .1906(6) .8678(5) .026(3)
N(4) 1.2390(6) .1356(7) 1.0958(5) .038(3)
N(5) 1.5709(6) .2887(6) 1.1109(5) .034(3)
C(1) 1.3126(7) .1453(7) .7675(6) .026(4)
C(2) 1.4161(7) .2051(8) 1.0286(7) .028(4)
C(3) 1.1084(8) .7182(9) .4044(7) .035(4)
C(51) 1.7611(8) .3951(8) 1.0409(7) .042(4)
C(52) 1.5534(8) .2936(8) 1.2778(7) .041(4)
O(1) 1.2048(5) .6012(6) .4027(5) .053(4)
O(2) .9236(5) .6936(6) .4841(5) .052(3)
O(3) 1.1740(5) .8495(6) .3423(5) .043(3)
H(1A) 1.0559 0.0769 0.7307 0.0507
H(2A) 1.5067 0.2514 0.5934 0.0507
H(2B) 1.3198 0.1286 0.5472 0.0507
H(3A) 1.5912 0.2106 0.8115 0.0507
H(4A) 1.2137 0.1601 1.2087 0.0507
H(51A) 1.8627 0.3100 0.9996 0.0507
H(51B) 1.7514 0.4658 0.9555 0.0507
H(51C) 1.8034 0.4761 1.1247 0.0507
H(52A) 1.6800 0.2755 1.3055 0.0507
H(52B) 1.4588 0.1917 1.3072 0.0507
H(52C) 1.5057 0.4047 1.3338 0.0507
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Cu N(1) . . 1.920(4) yes
Cu N(4) . . 1.931(4) yes
N(1) C(1) . . 1.282(6) yes
N(2) C(1) . . 1.323(6) yes
N(3) C(1) . . 1.392(6) yes
N(3) C(2) . . 1.364(6) yes
N(4) C(2) . . 1.305(6) yes
N(5) C(2) . . 1.342(6) yes
N(5) C(52) . . 1.448(7) yes
N(5) C(51) . . 1.476(6) yes
C(3) O(3) . . 1.221(6) yes
C(3) O(1) . . 1.270(6) yes
C(3) O(2) . . 1.339(6) yes
N(1) H(1A) . . 0.96 no
N(2) H(2A) . . 0.91 no
N(2) H(2B) . . 0.86 no
N(3) H(3A) . . 0.98 no
N(4) H(4A) . . 0.94 no
C(51) H(51A) . . 1.04 no
C(51) H(51B) . . 1.09 no
C(51) H(51C) . . 0.84 no
C(52) H(52A) . . 1.05 no
C(52) H(52B) . . 0.93 no
C(52) H(52C) . . 0.94 no