data_2011347
_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)
;
loop_
_publ_author_name
  "Corzo-Su\'arez, Ra\'ul"
  "D\'iaz, Isabel"
  "Garc\'ia-Granda, Santiago"
  "Fern\'andez, Vicente"
_chemical_formula_moiety  'C8 N4 H14 2+, Cu Cl4 2-'
_chemical_formula_sum  'C8 H14 Cl4 Cu N4'
_chemical_formula_iupac  '(C8 N4 H14) [Cu Cl4]'
_chemical_formula_weight  371.57
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y-1/2, z-1/2'
_cell_length_a  9.205(7)
_cell_length_b  16.13(3)
_cell_length_c  9.391(7)
_cell_angle_alpha  90.00
_cell_angle_beta  99.24(6)
_cell_angle_gamma  90.00
_cell_volume  1376(3)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.793
_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  .13591(5)  .05351(3)  .16568(5)  .03290(14) Uani d . 1 . . Cu
  Cl1  .36211(10)  .05335(6)  .09497(11)  .0375(2) Uani d . 1 . . Cl
  Cl2  -.00591(11)  .12939(6)  .29619(10)  .0392(2) Uani d . 1 . . Cl
  Cl3  .20705(10)  -.03617(6)  .35258(9)  .0331(2) Uani d . 1 . . Cl
  Cl4  .02347(12)  .10424(8)  -.04539(11)  .0496(3) Uani d . 1 . . Cl
  N1  -.6003(3)  -.13904(19)  .1105(3)  .0325(7) Uani d . 1 . . N
  H1  -.5943  -.0865  .1262  .039 Uiso calc R 1 . . H
  N2  -.5172(4)  -.2725(2)  .1767(4)  .0415(8) Uani d . 1 . . N
  N3  -.4186(3)  -.16079(19)  .3117(4)  .0363(7) Uani d . 1 . . N
  N4  -.1283(3)  -.0979(2)  .3738(3)  .0345(7) Uani d . 1 . . N
  H4A  -.0448  -.0837  .3416  .041 Uiso calc R 1 . . H
  H4B  -.1154  -.0877  .4692  .041 Uiso calc R 1 . . H
  C1  -.6969(4)  -.1673(3)  -.0006(5)  .0404(9) Uani d . 1 . . C
  H1A  -.7554  -.1305  -.0609  .048 Uiso calc R 1 . . H
  C2  -.7088(5)  -.2503(3)  -.0245(5)  .0474(11) Uani d . 1 . . C
  H2  -.7759  -.2723  -.0995  .057 Uiso calc R 1 . . H
  C3  -.6163(5)  -.2998(3)  .0681(5)  .0468(11) Uani d . 1 . . C
  H3  -.6234  -.3568  .0537  .056 Uiso calc R 1 . . H
  C4  -.5118(4)  -.1905(2)  .1987(4)  .0297(7) Uani d . 1 . . C
  C5  -.3006(4)  -.2125(3)  .3893(5)  .0408(9) Uani d . 1 . . C
  H5A  -.3205  -.2703  .3655  .049 Uiso calc R 1 . . H
  H5B  -.2973  -.2058  .4924  .049 Uiso calc R 1 . . H
  C6  -.1549(4)  -.1883(3)  .3493(5)  .0394(9) Uani d . 1 . . C
  H6A  -.0769  -.2197  .4071  .047 Uiso calc R 1 . . H
  H6B  -.1540  -.2014  .2486  .047 Uiso calc R 1 . . H
  C7  -.2512(4)  -.0450(2)  .3004(4)  .0337(8) Uani d . 1 . . C
  H7A  -.2577  -.0496  .1966  .040 Uiso calc R 1 . . H
  H7B  -.2326  .0126  .3270  .040 Uiso calc R 1 . . H
  C8  -.3937(4)  -.0728(2)  .3449(5)  .0354(8) Uani d . 1 . . C
  H8A  -.3899  -.0638  .4475  .042 Uiso calc R 1 . . H
  H8B  -.4745  -.0404  .2940  .042 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  .0332(2)  .0355(3)  .0303(2)  .00891(19)  .00621(17)  .00798(19)
  Cl1  .0338(5)  .0301(5)  .0508(5)  .0034(4)  .0132(4)  .0071(4)
  Cl2  .0448(5)  .0387(5)  .0343(4)  .0119(4)  .0069(4)  .0002(4)
  Cl3  .0349(4)  .0310(5)  .0314(4)  .0014(3)  -.0010(3)  .0063(3)
  Cl4  .0472(6)  .0695(8)  .0323(5)  .0210(5)  .0069(4)  .0121(5)
  N1  .0280(15)  .0221(15)  .0453(18)  -.0007(12)  -.0004(13)  -.0024(13)
  N2  .0436(19)  .0213(15)  .058(2)  -.0045(14)  .0029(16)  -.0045(15)
  N3  .0342(16)  .0211(15)  .0489(18)  -.0024(13)  -.0080(14)  -.0006(14)
  N4  .0302(15)  .0398(19)  .0341(16)  -.0050(13)  .0070(12)  .0022(13)
  C1  .0298(19)  .044(2)  .046(2)  .0006(17)  .0000(16)  -.0059(18)
  C2  .033(2)  .050(3)  .057(3)  -.0075(19)  .0015(19)  -.019(2)
  C3  .045(2)  .028(2)  .067(3)  -.0122(18)  .009(2)  -.016(2)
  C4  .0253(16)  .0215(16)  .0427(19)  -.0042(13)  .0068(14)  -.0010(14)
  C5  .040(2)  .031(2)  .048(2)  -.0013(17)  -.0054(17)  .0111(17)
  C6  .039(2)  .035(2)  .044(2)  .0078(17)  .0054(17)  .0033(17)
  C7  .042(2)  .0229(18)  .0341(18)  -.0043(15)  .0008(15)  -.0003(14)
  C8  .0338(19)  .0240(18)  .045(2)  .0005(15)  -.0030(16)  -.0099(15)
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 Cl4 . 2.2386(19) y
  Cu1 Cl2 . 2.284(2) y
  Cu1 Cl1 . 2.2849(19) y
  Cu1 Cl3 . 2.287(2) y
  N1 C1 . 1.338(5) ?
  N1 C4 . 1.349(5) ?
  N1 H1 .  .8600 ?
  N2 C3 . 1.330(6) ?
  N2 C4 . 1.339(5) ?
  N3 C4 . 1.341(5) ?
  N3 C8 . 1.464(5) ?
  N3 C5 . 1.467(5) ?
  N4 C6 . 1.491(6) ?
  N4 C7 . 1.494(5) ?
  N4 H4A .  .9000 ?
  N4 H4B .  .9000 ?
  C1 C2 . 1.359(7) ?
  C1 H1A .  .9300 ?
  C2 C3 . 1.371(7) ?
  C2 H2 .  .9300 ?
  C3 H3 .  .9300 ?
  C5 C6 . 1.501(6) ?
  C5 H5A .  .9700 ?
  C5 H5B .  .9700 ?
  C6 H6A .  .9700 ?
  C6 H6B .  .9700 ?
  C7 C8 . 1.507(5) ?
  C7 H7A .  .9700 ?
  C7 H7B .  .9700 ?
  C8 H8A .  .9700 ?
  C8 H8B .  .9700 ?