#------------------------------------------------------------------------------
#$Date: 2009-11-16 01:43:51 +0000 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: svn://www.crystallography.net/cod/cif/2/2011346.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_2011346
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  e385
_journal_page_last  e387
_publ_section_title
;
Bis(1-methylguanidinium) tetrachlorocuprate(II) and
4-(2-pyrimidin-1-io)piperazinium tetrachlorocuprate(II)
;
_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_
_publ_author_name
  "Corzo-Su\'arez, Ra\'ul"
  "D\'iaz, Isabel"
  "Garc\'ia-Granda, Santiago"
  "Fern\'andez, Vicente"
_chemical_formula_moiety  '2C2 N3 H8 1+, Cu Cl4 2-'
_chemical_formula_sum  'C4 H16 Cl4 Cu N6'
_chemical_formula_iupac  '(C2 N3 H8)2 [Cu Cl4]'
_chemical_formula_weight  353.57
_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'
  '-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  11.372(3)
_cell_length_b  8.042(2)
_cell_length_c  15.621(9)
_cell_angle_alpha  90.00
_cell_angle_beta  104.71(2)
_cell_angle_gamma  90.00
_cell_volume  1381.8(9)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.700
_diffrn_ambient_temperature  293(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Cu1  .0000  .15875(4)  .2500  .03172(10) Uani d S 1 . . Cu
  Cl1  .19436(5)  .24426(7)  .29103(3)  .04420(14) Uani d . 1 . . Cl
  Cl2  .00624(5)  .07638(7)  .11282(3)  .04416(14) Uani d . 1 . . Cl
  N1  .7776(2)  .4536(3)  .02025(14)  .0515(5) Uani d . 1 . . N
  H1A  .7981  .4278  .0755  .062 Uiso calc R 1 . . H
  H1B  .7200  .4003  -.0156  .062 Uiso calc R 1 . . H
  N2  .8024(2)  .6138(3)  -.09476(13)  .0482(4) Uani d . 1 . . N
  H2A  .7446  .5600  -.1302  .058 Uiso calc R 1 . . H
  H2B  .8391  .6927  -.1147  .058 Uiso calc R 1 . . H
  N3  .92352(18)  .6583(2)  .04463(13)  .0440(4) Uani d . 1 . . N
  H3  .9628  .7303  .0221  .053 Uiso calc R 1 . . H
  C1  .83473(18)  .5752(2)  -.00962(13)  .0352(4) Uani d . 1 . . C
  C2  .9588(2)  .6354(3)  .14004(17)  .0525(6) Uani d . 1 . . C
  H2C 1.0250  .7085  .1657  .063 Uiso calc R 1 . . H
  H2D  .9836  .5223  .1535  .063 Uiso calc R 1 . . H
  H2E  .8909  .6603  .1640  .063 Uiso calc R 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Cu1  .03675(17)  .03306(17)  .02444(14)  .000  .00611(11)  .000
  Cl1  .0403(2)  .0565(3)  .0336(2)  -.0086(2)  .00535(18)  -.0025(2)
  Cl2  .0503(3)  .0522(3)  .0321(2)  -.0133(2)  .01437(19)  -.01294(19)
  N1  .0556(12)  .0516(11)  .0413(9)  -.0211(9)  .0010(8)  .0102(8)
  N2  .0550(11)  .0515(10)  .0363(8)  -.0074(9)  .0086(8)  .0064(8)
  N3  .0449(9)  .0452(10)  .0408(9)  -.0111(8)  .0091(7)  .0012(7)
  C1  .0367(9)  .0339(9)  .0350(8)  .0007(7)  .0092(7)  .0013(7)
  C2  .0540(13)  .0532(14)  .0438(11)  -.0042(11)  .0004(10)  .0002(10)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Cu1 Cl1 2 2.2471(8) ?
  Cu1 Cl1 . 2.2471(8) y
  Cu1 Cl2 2 2.2610(12) ?
  Cu1 Cl2 . 2.2611(12) y
  N1 C1 . 1.323(3) ?
  N1 H1A .  .8600 ?
  N1 H1B .  .8600 ?
  N2 C1 . 1.324(3) ?
  N2 H2A .  .8600 ?
  N2 H2B .  .8600 ?
  N3 C1 . 1.323(3) ?
  N3 C2 . 1.453(3) ?
  N3 H3 .  .8600 ?
  C2 H2C .  .9600 ?
  C2 H2D .  .9600 ?
  C2 H2E .  .9600 ?