data_global
_amcsd_formula_title 'C14H8S4Cu(NCS)2'
loop_
_publ_author_name
'Watson W H'
'Kashyap R P'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 46 
_journal_year 1990
_journal_page_first 2312
_journal_page_last 2316
_publ_section_title
;
 Structures of two dibenzotetrathiafulvalene (DBTTF) salts:
 (DBTTF)Cu(NCS)2 and a redetermination of (DBTTF)I3
 Sample: Compound 2
;
_database_code_amcsd 0010225
_chemical_formula_sum 'Cu N2 C16 S6'
_cell_length_a 8.390
_cell_length_b 9.667
_cell_length_c 12.699
_cell_angle_alpha 95.07
_cell_angle_beta 108.25
_cell_angle_gamma 112.50
_cell_volume 877.886
_exptl_crystal_density_diffrn      1.801
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu   0.34720  -0.46060   0.56860   0.05800
N   0.56540  -0.40580   0.68600   0.04400
C   0.68430  -0.36170   0.77250   0.06400
S   0.85520  -0.29350   0.89380   0.07100
N*   0.14020  -0.52500   0.44040   0.04800
C*   0.00970  -0.56440   0.36020   0.04800
S*  -0.19490  -0.62580   0.25960   0.04600
C1   0.92910   0.04650   0.60740   0.02300
S2   0.97270  -0.07620   0.68940   0.03100
C3   0.17140   0.06630   0.79690   0.01900
C4   0.27250   0.03660   0.88760   0.05700
C5   0.43140   0.15620   0.97010   0.03900
C6   0.49400   0.30390   0.94640   0.05100
C7   0.38360   0.33760   0.85240   0.04200
C8   0.22320   0.21180   0.77630   0.02700
S9   0.08110   0.23590   0.65360   0.03400
C10   0.76820  -0.00560   0.50830   0.02500
S11   0.72880   0.11810   0.42860   0.03100
C12   0.51970  -0.01990   0.33130   0.04000
C13   0.40300   0.01350   0.23430   0.03900
C14   0.23630  -0.09720   0.16620   0.04300
C15   0.18430  -0.25210   0.17590   0.04500
C16   0.29740  -0.28890   0.26310   0.02800
C17   0.45900  -0.16780   0.34540   0.04300
S18   0.61090  -0.19640   0.46000   0.03300