data_global
_amcsd_formula_title '(CH3)2NH2CuCl3'
loop_
_publ_author_name
'Willett R D'
_journal_name_full 'Journal of Chemical Physics'
_journal_volume 44 
_journal_year 1966
_journal_page_first 39
_journal_page_last 42
_publ_section_title
;
 Crystal structure and optical properties of (CH3)2NH2CuCl3
;
_database_code_amcsd 0012976
_chemical_formula_sum 'Cu Cl3 N C2'
_cell_length_a 12.09
_cell_length_b 8.63
_cell_length_c 14.49
_cell_angle_alpha 90
_cell_angle_beta 97.5
_cell_angle_gamma 90
_cell_volume 1498.905
_exptl_crystal_density_diffrn      1.843
_symmetry_space_group_name_H-M 'I 1 2/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,y,-z'
  '-x,1/2+y,1/2-z'
  '1/2+x,-y,z'
  '+x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu   0.11370   0.11650   0.03410
Cl1   0.11480   0.37170   0.06550
Cl2   0.06500  -0.13950   0.04990
Cl3   0.28420   0.08030   0.12210
N   0.13200   0.02200   0.35400
C1   0.05100   0.08600   0.28200
C2   0.17700   0.86400   0.34200
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
Cu 0.02184 0.03396 0.04391 -0.00210 -0.00262 0.00251
Cl1 0.04149 0.04037 0.08678 -0.00262 -0.00262 -0.00942
Cl2 0.03421 0.03169 0.06587 -0.00314 -0.00872 0.01005
Cl3 0.04149 0.04716 0.05123 -0.00314 -0.01047 0.00251
N 0.08007 0.06037 0.12547 0.00000 0.00872 0.00000
C1 0.04367 0.04905 0.04182 0.00000 0.00349 0.00000
C2 0.10190 0.01509 0.14638 0.00000 0.00698 0.00000