[CIF]
data_CuH8C10(NCl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.93955373
_cell_length_b   9.93955373
_cell_length_c   7.14992686
_cell_angle_alpha   102.63671450
_cell_angle_beta   102.63671450
_cell_angle_gamma   126.20710602
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuH8C10(NCl)2
_chemical_formula_sum   'Cu2 H16 C20 N4 Cl4'
_cell_volume   498.88556590
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cu  Cu0  1  3.17344637  0.83406964  5.19480736  1
  Cu  Cu1  1  4.90228187  -0.83406964  2.06567148  1
  H  H2  1  3.81141327  3.82181787  5.33555609  1
  H  H3  1  5.54024877  -3.82181787  2.20642021  1
  H  H4  1  1.38823937  -3.64943025  5.71767762  1
  H  H5  1  3.11707487  3.64943025  2.58854174  1
  H  H6  1  -0.90892792  3.99295582  6.03298462  1
  H  H7  1  0.81990758  -3.99295582  2.90384874  1
  H  H8  1  -0.88121330  1.52917545  6.00850791  1
  H  H9  1  0.84762220  -1.52917545  2.87937203  1
  H  H10  1  -1.06109944  -0.55440531  6.10849193  1
  H  H11  1  0.66773606  0.55440531  2.97935605  1
  H  H12  1  -1.41619726  -2.99318537  5.95322919  1
  H  H13  1  0.31263824  2.99318537  2.82409331  1
  H  H14  1  0.81388665  4.99150624  5.33151079  1
  H  H15  1  2.54272215  -4.99150624  2.20237491  1
  H  H16  1  3.41358077  -2.20834535  5.06235416  1
  H  H17  1  5.14241627  2.20834535  1.93321828  1
  C  C18  1  0.29629676  -5.49113287  5.48682685  1
  C  C19  1  2.02513226  5.49113287  2.35769097  1
  C  C20  1  1.45071796  -4.73783870  5.69224945  1
  C  C21  1  3.17955346  4.73783870  2.56311357  1
  C  C22  1  2.65619054  -5.41250541  5.87739817  1
  C  C23  1  4.38502604  5.41250541  2.74826229  1
  C  C24  1  -1.82103066  2.06022458  5.86837400  1
  C  C25  1  -0.09219516  -2.06022458  2.73923812  1
  C  C26  1  1.47469563  -7.49231207  5.67020398  1
  C  C27  1  3.20353113  7.49231207  2.54106810  1
  C  C28  1  1.36695705  8.77377671  5.65118589  1
  C  C29  1  3.09579255  -8.77377671  2.52205001  1
  C  C30  1  -2.04840050  -0.94560604  5.86787263  1
  C  C31  1  -0.31956500  0.94560604  2.73873675  1
  C  C32  1  2.24578916  6.54520201  5.77079735  1
  C  C33  1  3.97462466  -6.54520201  2.64166147  1
  C  C34  1  0.97977039  6.06120716  5.45433561  1
  C  C35  1  2.70860589  -6.06120716  2.32519973  1
  C  C36  1  4.43081971  -1.89743215  5.29174570  1
  C  C37  1  6.15965521  1.89743215  2.16260982  1
  N  N38  1  4.80498720  2.03438776  5.46883639  1
  N  N39  1  6.53382271  -2.03438776  2.33970051  1
  N  N40  1  4.61902495  -0.57417756  5.39903511  1
  N  N41  1  6.34786045  0.57417756  2.26989923  1
  Cl  Cl42  1  1.49582498  -0.66320196  5.66360103  1
  Cl  Cl43  1  3.22466048  0.66320196  2.53446515  1
  Cl  Cl44  1  1.70566271  2.56766643  5.23342400  1
  Cl  Cl45  1  3.43449821  -2.56766643  2.10428812  1
[/CIF]
