data_global
_amcsd_formula_title 'Cu(C21H24N4S3)I3CHCl3'
loop_
_publ_author_name
'Alyea E C'
'Ferguson G'
'Jennings M C'
'Xu Z'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 46 
_journal_year 1990
_journal_page_first 2347
_journal_page_last 2349
_publ_section_title
;
 Structure of a copper(I) complex of a tripodal schiff-base ligand,
 {tris-[4-(2-thienyl)-3-aza-3-butenyl]amine}copper(I)
 triiodide chloroform solvate
;
_database_code_amcsd 0010239
_chemical_formula_sum 'Cu S3 N4 C22 I3 Cl3'
_cell_length_a 31.869
_cell_length_b 11.425
_cell_length_c 18.215
_cell_angle_alpha 90
_cell_angle_beta 96.56
_cell_angle_gamma 90
_cell_volume 6588.719
_exptl_crystal_density_diffrn      1.950
_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
_atom_site_U_iso_or_equiv
Cu   0.63429   0.97382   0.48258   0.04040
S1   0.54986   0.12620   0.42317   0.05699
S2   0.57597   0.02970   0.60743   0.05813
S3   0.55280   0.79880   0.45719   0.07244
N4   0.70480   0.96470   0.47350   0.04281
N1   0.64580   0.14600   0.48880   0.04129
N2   0.65020   0.87070   0.57070   0.04293
N3   0.63090   0.90040   0.38230   0.04369
C11   0.71880   0.08730   0.47770   0.04952
C12   0.69040   0.15890   0.52090   0.05015
C13   0.62660   0.23750   0.46520   0.04661
C14   0.58390   0.24300   0.43010   0.04673
C15   0.56520   0.33860   0.39620   0.07726
C16   0.52300   0.31770   0.36560   0.08359
C17   0.51170   0.20850   0.37630   0.06966
C21   0.72130   0.89290   0.53730   0.04496
C22   0.68790   0.80650   0.55580   0.04648
C23   0.63730   0.85790   0.63350   0.04724
C24   0.60320   0.92210   0.65910   0.04547
C25   0.58830   0.90910   0.72770   0.05383
C26   0.55580   0.99070   0.73680   0.06079
C27   0.54600   0.05930   0.67610   0.06459
C31   0.70720   0.90870   0.40090   0.05155
C32   0.66820   0.93560   0.34860   0.05167
C33   0.60670   0.82360   0.34750   0.05028
C34   0.57020   0.77210   0.37330   0.05180
C35   0.54460   0.68990   0.33480   0.06839
C36   0.51130   0.65010   0.37470   0.07726
C37   0.51190   0.70160   0.44040   0.07726
I1   0.24620   0.16719   0.24032   0.08046
I2   0.29255   0.35207   0.18078   0.04979
I3   0.33820   0.54905   0.11865   0.05531
C   0.62970   0.46880   0.66500   0.06713
Cl1   0.61026   0.32670   0.65267   0.08524
Cl2   0.65074   0.51480   0.58650   0.13324
Cl3   0.59007   0.56280   0.69030   0.11589