#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2011885.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_2011885
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  347
_journal_page_last  348
_publ_section_title
;
Zinc cyanamide, ZnCN~2~
;
loop_
_publ_author_name
  'Becker, Michael'
  'Jansen, Martin'
_chemical_name_common  'zinc cyanamide'
_chemical_formula_moiety  'ZnCN2 '
_chemical_formula_sum  'C N2 Zn'
_chemical_formula_weight  105.40
_chemical_melting_point  'substance decomposes befor melting'
_symmetry_cell_setting  tetragonal
_symmetry_space_group_name_H-M  'I -4 2 d'
_symmetry_space_group_name_Hall  'I -4 2bw'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, z'
  'y, -x, -z'
  '-y, x, -z'
  '-x+1/2, y, -z+3/4'
  'x+1/2, -y, -z+3/4'
  '-y+1/2, -x, z+3/4'
  'y+1/2, x, z+3/4'
  'x+1/2, y+1/2, z+1/2'
  '-x+1/2, -y+1/2, z+1/2'
  'y+1/2, -x+1/2, -z+1/2'
  '-y+1/2, x+1/2, -z+1/2'
  '-x+1, y+1/2, -z+5/4'
  'x+1, -y+1/2, -z+5/4'
  '-y+1, -x+1/2, z+5/4'
  'y+1, x+1/2, z+5/4'
_cell_length_a  8.8047(2)
_cell_length_b  8.8047(2)
_cell_length_c  5.4329(2)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  421.17(2)
_cell_formula_units_Z  8
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  3.324
_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
  Zn1  .95308(4)  .2500  .1250  .01197(9) Uani d S 1 . . Zn
  C1  .7500  .0675(3)  .3750  .0109(4) Uani d S 1 . . C
  N1  .8084(2)  .0720(2)  .1705(3)  .0152(3) Uani d . 1 . . N
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
  Zn1  .01207(15)  .01432(16)  .00952(13)  .000  .000  .00002(13)
  C1  .0124(10)  .0105(9)  .0098(11)  .000  -.0022(10)  .000
  N1  .0178(8)  .0163(8)  .0114(9)  -.0049(6)  .0026(6)  -.0022(6)
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
  Zn1 N1 16_544 1.9846(19) ?
  Zn1 N1 3_665 1.9846(19) ?
  Zn1 N1 . 2.0346(19) ?
  Zn1 N1 14_454 2.0346(19) ?
  Zn1 C1 10_654 2.7610(15) ?
  Zn1 C1 . 2.7610(15) ?
  C1 N1 . 1.2248(19) ?
  C1 N1 5_655 1.2248(19) ?
  C1 Zn1 10_655 2.7610(15) ?
  C1 Zn1 4_645 2.8973(9) ?
  C1 Zn1 4_646 2.8973(9) ?
  N1 Zn1 4_645 1.9846(19) ?
_cod_database_code 2011885
