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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/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
_journal_name_full  'Acta Crystallographica'
_journal_year  1995
_journal_volume  C51
_journal_page_first  213
_journal_page_last  215
_publ_section_title
;
%T {\bf L'Hydrog\'enocarbonate de Bis N,N dim\'ethylbiguanide Cuivre (II)
[Cu(C4 H11 N5)2].(HCO3)2}
;
loop_
_publ_author_name
  'Viossat, B.'
  'Tomas, A.'
  'Nguyen-Huy Dung'
_chemical_formula_moiety  'C10 H24 Cu1 N10 O6'
_chemical_formula_sum  'C10 H24 Cu1 N10 O6'
_chemical_formula_weight  443.93
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  '-P 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
_cell_length_a  7.148(3)
_cell_length_b  7.586(3)
_cell_length_c  8.888(4)
_cell_angle_alpha  109.74(3)
_cell_angle_beta  76.70(5)
_cell_angle_gamma  107.37(5)
_cell_volume  428.4(5)
_cell_formula_units_Z  1
_cell_measurement_temperature  'temp\'erature ambiante'
_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
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