#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2011841.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_2011841
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  388
_journal_page_last  391
_publ_section_title
;
Aminoguanidinium(1+) aminoguanidinium(2+)
hexachloroantimonate(III) at 295 and 92 K
;
loop_
_publ_author_name
  'Bujak, Maciej'
  'Osadczuk, Przemys\/law'
  'Zaleski, Jacek'
_chemical_formula_moiety  'CH7 N4 + , CH8 N4 2+ ,  SbCl6 3- '
_chemical_formula_sum  'C2 H15 Cl6 N8 Sb'
_chemical_formula_iupac  '(CH7 N4 )(CH8 N4 )[SbCl6 ]'
_chemical_formula_weight  485.67
_symmetry_cell_setting  'monoclinic'
_symmetry_space_group_name_H-M  'P c'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  'x, -y, z+1/2'
_cell_length_a  7.522(2)
_cell_length_b  13.856(3)
_cell_length_c  15.544(3)
_cell_angle_alpha  90.00
_cell_angle_beta  94.75(3)
_cell_angle_gamma  90.00
_cell_volume  1614.5(6)
_cell_formula_units_Z  4
_cell_measurement_temperature  295(2)
_exptl_crystal_density_diffrn  1.998
_exptl_crystal_density_meas  1.990(10)
_diffrn_ambient_temperature  295(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
  Sb1  .22309(4)  .24869(2)  .49848(2)  .03317(13) Uani d . 1 . . Sb
  Cl1  .1821(3)  .08653(10)  .43411(11)  .0543(4) Uani d . 1 . . Cl
  Cl2  .3160(2)  .43664(9)  .57138(9)  .0443(3) Uani d . 1 . . Cl
  Cl3  -.0196(2)  .32372(12)  .39736(10)  .0528(4) Uani d . 1 . . Cl
  Cl4  .5004(2)  .18271(11)  .61516(11)  .0561(4) Uani d . 1 . . Cl
  Cl5  -.0012(2)  .21192(12)  .61079(11)  .0572(4) Uani d . 1 . . Cl
  Cl6  .4618(2)  .29880(10)  .38538(10)  .0488(3) Uani d . 1 . . Cl
  Sb2  -.22441(3)  .73957(2)  .50076(2)  .03493(12) Uani d . 1 . . Sb
  Cl7  -.4371(2)  .69473(12)  .60557(10)  .0516(4) Uani d . 1 . . Cl
  Cl8  .0259(2)  .79332(12)  .37415(11)  .0563(4) Uani d . 1 . . Cl
  Cl9  -.1997(3)  .90379(11)  .56122(11)  .0600(4) Uani d . 1 . . Cl
  Cl10  -.3125(3)  .55414(10)  .42616(11)  .0577(4) Uani d . 1 . . Cl
  Cl11  -.4689(2)  .79739(11)  .39258(10)  .0513(4) Uani d . 1 . . Cl
  Cl12  .0389(2)  .65268(10)  .61370(9)  .0463(3) Uani d . 1 . . Cl
  C1  -.2310(8)  .4387(4)  .6934(4)  .0360(12) Uani d . 1 . . C
  N1  -.3051(7)  .3636(3)  .7257(3)  .0458(11) Uani d . 1 . . N
  H11  -.3136  .3615  .7830  .130(8) Uiso d R 1 . . H
  H12  -.3489  .3139  .6931  .130(8) Uiso d R 1 . . H
  N2  -.1768(7)  .5132(4)  .7412(3)  .0581(13) Uani d . 1 . . N
  H21  -.1930  .5140  .7979  .130(8) Uiso d R 1 . . H
  H22  -.1225  .5631  .7171  .130(8) Uiso d R 1 . . H
  N3  -.2013(8)  .4434(3)  .6089(3)  .0460(12) Uani d . 1 . . N
  H3  -.1394  .4927  .5883  .086(13) Uiso d R 1 . . H
  N4  -.2817(7)  .3757(3)  .5513(3)  .0438(11) Uani d . 1 . . N
  H41  -.4016  .3780  .5480  .092(9) Uiso d R 1 . . H
  H42  -.2493  .3140  .5618  .092(9) Uiso d R 1 . . H
  H43  -.2481  .3910  .4988  .092(9) Uiso d R 1 . . H
  C2  .2508(8)  .5506(4)  .3070(4)  .0393(13) Uani d . 1 . . C
  N5  .2289(7)  .6344(3)  .2663(3)  .0496(13) Uani d . 1 . . N
  H51  .2909  .6433  .2198  .130(8) Uiso d R 1 . . H
  H52  .1915  .6861  .2949  .130(8) Uiso d R 1 . . H
  N6  .2923(7)  .4736(3)  .2672(3)  .0583(14) Uani d . 1 . . N
  H61  .2544  .4767  .2108  .130(8) Uiso d R 1 . . H
  H62  .3089  .4144  .2903  .130(8) Uiso d R 1 . . H
  N7  .2234(8)  .5448(3)  .3917(3)  .0508(14) Uani d . 1 . . N
  H7  .2379  .4882  .4198  .086(13) Uiso d R 1 . . H
  N8  .2633(7)  .6232(4)  .4478(3)  .0461(12) Uani d . 1 . . N
  H81  .3802  .6373  .4483  .092(9) Uiso d R 1 . . H
  H82  .2371  .6072  .5014  .092(9) Uiso d R 1 . . H
  H83  .1984  .6749  .4295  .092(9) Uiso d R 1 . . H
  C3  .2761(10)  .0548(5)  .1938(5)  .0557(17) Uani d . 1 . . C
  N9  .2177(9)  .1381(4)  .2192(4)  .0682(17) Uani d . 1 . . N
  H91  .2337  .1414  .2771  .130(8) Uiso d R 1 . . H
  H92  .2033  .1968  .1947  .130(8) Uiso d R 1 . . H
  N10  .3041(9)  -.0206(4)  .2491(4)  .0809(19) Uani d . 1 . . N
  H101  .2849  -.0134  .3051  .130(8) Uiso d R 1 . . H
  H102  .3435  -.0774  .2300  .130(8) Uiso d R 1 . . H
  N11  .3025(9)  .0415(4)  .1129(4)  .0647(16) Uani d . 1 . . N
  H111  .3232  -.0214  .1037  .086(13) Uiso d R 1 . . H
  N12  .2686(9)  .1151(4)  .0566(4)  .0657(16) Uani d . 1 . . N
  H121  .1794  .1016  .0161  .130(8) Uiso d R 1 . . H
  H122  .3592  .1339  .0261  .130(8) Uiso d R 1 . . H
  C41  -.2711(18) 1.0688(10)  .3362(9)  .042(3) Uani d PU  .60 . . C
  C42  -.241(3) 1.0438(16)  .3047(16)  .046(5) Uani d PU  .40 . . C
  N13  -.2870(10) 1.1308(4)  .2751(4)  .079(2) Uani d . 1 . . N
  H131  -.3188 1.1922  .2849  .130(8) Uiso d R 1 . . H
  H132  -.2653 1.1121  .2215  .130(8) Uiso d R 1 . . H
  N14  -.3009(10) 1.0930(5)  .4250(5)  .092(2) Uani d . 1 . . N
  H141  -.3381 1.1524  .4384  .130(8) Uiso d R 1 . . H
  H142  -.2836 1.0478  .4664  .130(8) Uiso d R 1 . . H
  N151  -.2162(12)  .9813(7)  .3195(6)  .054(2) Uani d PU  .60 . . N
  H151  -.2031  .9356  .3607  .086(13) Uiso d PR  .60 . . H
  N152  -.249(2) 1.0244(10)  .3831(9)  .055(3) Uani d PU  .40 . . N
  H152  -.2185  .9664  .4057  .086(13) Uiso d PR  .40 . . H
  N16  -.1830(9)  .9632(4)  .2420(4)  .0782(18) Uani d . 1 . . N
  H161  -.1455  .9042  .2272  .130(8) Uiso d R 1 . . H
  H162  -.1971 1.0100  .2019  .130(8) Uiso d 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
  Sb1  .0402(3)  .03043(16)  .0289(2)  .00185(11)  .0031(2)  .00077(13)
  Cl1  .0807(12)  .0373(7)  .0448(8)  -.0031(7)  .0047(8)  -.0048(6)
  Cl2  .0628(10)  .0387(6)  .0325(7)  .0068(6)  .0099(6)  .0015(5)
  Cl3  .0484(8)  .0642(9)  .0448(8)  .0068(7)  -.0017(6)  .0127(7)
  Cl4  .0579(10)  .0463(8)  .0620(9)  -.0079(7)  -.0083(7)  .0099(7)
  Cl5  .0634(10)  .0610(9)  .0499(9)  .0056(8)  .0210(7)  .0108(7)
  Cl6  .0535(9)  .0494(8)  .0445(8)  .0098(6)  .0105(6)  .0026(6)
  Sb2  .0385(3)  .03486(17)  .0315(2)  .00055(17)  .0032(2)  .00171(18)
  Cl7  .0484(8)  .0656(9)  .0424(8)  -.0015(7)  .0136(6)  .0054(7)
  Cl8  .0582(9)  .0658(10)  .0460(8)  .0140(8)  .0118(7)  .0062(7)
  Cl9  .0869(13)  .0443(8)  .0491(9)  -.0063(8)  .0074(8)  -.0096(6)
  Cl10  .0952(14)  .0413(7)  .0380(8)  .0051(8)  .0149(8)  .0042(6)
  Cl11  .0446(8)  .0599(8)  .0478(8)  -.0004(7)  -.0063(6)  .0144(7)
  Cl12  .0431(7)  .0548(8)  .0407(7)  -.0007(6)  .0025(6)  .0088(6)
  C1  .039(3)  .036(3)  .032(3)  -.003(2)  .000(2)  .008(2)
  N1  .057(3)  .052(3)  .028(2)  -.010(2)  .005(2)  .0036(19)
  N2  .082(4)  .055(3)  .038(3)  -.023(3)  .009(3)  -.005(2)
  N3  .061(3)  .045(3)  .033(3)  -.010(2)  .012(2)  .001(2)
  N4  .047(3)  .053(3)  .031(3)  -.002(2)  .004(2)  .008(2)
  C2  .043(3)  .043(3)  .031(3)  -.004(2)  -.001(2)  .005(2)
  N5  .076(4)  .045(3)  .028(2)  .006(2)  .004(2)  .0054(19)
  N6  .087(4)  .043(3)  .041(3)  .009(3)  -.011(3)  -.002(2)
  N7  .076(4)  .043(3)  .032(3)  -.015(2)  -.004(2)  .009(2)
  N8  .055(3)  .056(3)  .028(3)  -.008(2)  .009(2)  .000(2)
  C3  .054(4)  .067(4)  .045(4)  -.001(3)  -.001(3)  -.009(3)
  N9  .104(5)  .050(3)  .049(3)  .019(3)  .000(3)  -.010(2)
  N10  .119(6)  .067(4)  .059(4)  .032(4)  .018(4)  .002(3)
  N11  .086(4)  .051(3)  .058(4)  .004(3)  .013(3)  -.006(3)
  N12  .088(4)  .046(3)  .064(4)  -.001(3)  .010(3)  .004(3)
  C41  .044(7)  .040(7)  .043(8)  .008(5)  .006(5)  .010(6)
  C42  .041(9)  .036(11)  .061(14)  .007(8)  .011(9)  -.004(9)
  N13  .144(7)  .049(3)  .046(3)  .026(3)  .017(4)  .013(3)
  N14  .122(6)  .063(4)  .098(6)  .040(4)  .051(5)  .018(4)
  N151  .069(6)  .043(5)  .050(5)  .009(4)  .011(4)  .010(4)
  N152  .087(10)  .036(6)  .041(7)  -.002(6)  .000(6)  .008(6)
  N16  .117(5)  .057(3)  .059(4)  .005(3)  -.002(4)  .005(3)
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
  Sb1 Cl1 . 2.469(2) y
  Sb1 Cl2 . 2.902(2) y
  Sb1 Cl3 . 2.532(2) y
  Sb1 Cl4 . 2.802(2) y
  Sb1 Cl5 . 2.577(2) y
  Sb1 Cl6 . 2.705(2) y
  Sb2 Cl7 . 2.456(2) y
  Sb2 Cl8 . 2.931(2) y
  Sb2 Cl9 . 2.463(2) y
  Sb2 Cl10 . 2.874(2) y
  Sb2 Cl11 . 2.518(2) y
  Sb2 Cl12 . 2.807(2) y
  C1 N1 . 1.301(7) ?
  C1 N2 . 1.316(7) ?
  C1 N3 . 1.352(7) ?
  N3 N4 . 1.399(7) ?
  N1 H11 .  .9000 ?
  N1 H12 .  .9000 ?
  N2 H21 .  .9000 ?
  N2 H22 .  .9000 ?
  N3 H3 .  .9000 ?
  N4 H41 .  .9000 ?
  N4 H42 .  .9000 ?
  N4 H43 .  .9000 ?
  C2 N5 . 1.327(7) ?
  C2 N6 . 1.284(7) ?
  C2 N7 . 1.352(7) ?
  N7 N8 . 1.409(7) ?
  N5 H51 .  .9000 ?
  N5 H52 .  .8999 ?
  N6 H61 .  .9000 ?
  N6 H62 .  .9001 ?
  N7 H7 .  .9000 ?
  N8 H81 .  .9000 ?
  N8 H82 .  .9000 ?
  N8 H83 .  .9000 ?
  C3 N9 . 1.308(8) ?
  C3 N10 . 1.359(9) ?
  C3 N11 . 1.302(9) ?
  N11 N12 . 1.354(8) ?
  N9 H91 .  .9000 ?
  N9 H92 .  .9001 ?
  N10 H101 .  .9000 ?
  N10 H102 .  .9000 ?
  N11 H111 .  .9000 ?
  N12 H121 .  .9000 ?
  N12 H122 .  .9001 ?
  C41 N13 . 1.279(15) ?
  C41 N14 . 1.455(15) ?
  C41 N151 . 1.314(15) ?
  C42 N152 . 1.25(3) ?
  C42 N13 . 1.33(2) ?
  C42 N16 . 1.57(2) ?
  N13 H131 .  .9000 ?
  N13 H132 .  .9000 ?
  N14 N152 . 1.232(15) ?
  N14 H141 .  .9000 ?
  N14 H142 .  .8999 ?
  N151 N16 . 1.275(10) ?
  N151 H151 .  .9000 ?
  N152 H152 .  .9001 ?
  N16 H161 .  .9000 ?
  N16 H162 .  .9000 ?