data_global
_amcsd_formula_title 'ZnCl2N2C14'
loop_
_publ_author_name
'Marsh R E'
'Schomaker V'
_journal_name_full 'Inorganic Chemistry'
_journal_volume 18 
_journal_year 1979
_journal_page_first 2331
_journal_page_last 2336
_publ_section_title
;
 Some incorrect space groups in Inorganic Chemistry, Volume 16
;
_database_code_amcsd 0012687
_chemical_formula_sum 'Zn N2 C14 Cl2'
_cell_length_a 9.115
_cell_length_b 11.942
_cell_length_c 14.428
_cell_angle_alpha 90
_cell_angle_beta 90.77
_cell_angle_gamma 90
_cell_volume 1570.365
_exptl_crystal_density_diffrn      1.406
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Zn   0.00000  -0.00562   0.25000
N12   0.00400  -0.11370   0.14030
C2a2b   0.09160  -0.09640   0.06780
C3a3b   0.09180  -0.16550  -0.00660
C4a4b   0.00280  -0.25760  -0.00980
C5a5b  -0.08620  -0.27570   0.06540
C6a6b  -0.08340  -0.20350   0.13740
C7a7b   0.01380  -0.32820  -0.09470
C8a8b  -0.04870  -0.41590  -0.10100
Cl12   0.20840   0.08860   0.24820
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
Zn 0.08980 0.07160 0.06917 0.00000 0.04130 0.00000
N12 0.08248 0.07514 0.06748 0.00496 0.02198 0.00873
C2a2b 0.08669 0.09103 0.07381 0.00276 0.03197 0.00873
C3a3b 0.10310 0.09826 0.06959 0.03088 0.02331 -0.00786
C4a4b 0.10899 0.08959 0.07170 0.03860 -0.03464 -0.03055
C5a5b 0.11531 0.09681 0.08646 0.03253 0.01066 -0.01833
C6a6b 0.10184 0.08959 0.08013 0.03639 0.03064 -0.01658
C7a7b 0.14224 0.11271 0.15289 0.00882 -0.10658 -0.03840
C8a8b 0.16160 0.18062 0.15078 0.03198 -0.08660 -0.05150
Cl12 0.11194 0.09970 0.10544 -0.05955 0.05595 -0.00524