The compound described by MoCl5 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two MoCl5 clusters. Mo(1) is bonded in a 4-coordinate geometry to one Cl(1), one Cl(2), one Cl(3), one Cl(4), and one Cl(5) atom. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Mo(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Mo(1) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Mo(1) atom. In the fourth Cl site, Cl(4) is bonded in a distorted single-bond geometry to one Mo(1) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MoCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.468
_cell_length_b   6.952
_cell_length_c   9.497
_cell_angle_alpha   109.692
_cell_angle_beta   91.332
_cell_angle_gamma   116.763
_symmetry_Int_Tables_number   1
_cell_volume   351.165
_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
  Mo  Mo0  1  0.391  0.001  0.714  1.0
  Mo  Mo1  1  0.609  0.999  0.286  1.0
  Cl  Cl2  1  0.772  0.222  0.462  1.0
  Cl  Cl3  1  0.759  0.782  0.354  1.0
  Cl  Cl4  1  0.228  0.778  0.538  1.0
  Cl  Cl5  1  0.596  0.234  0.835  1.0
  Cl  Cl6  1  0.241  0.218  0.646  1.0
  Cl  Cl7  1  0.404  0.766  0.165  1.0
  Cl  Cl8  1  0.977  0.229  0.077  1.0
  Cl  Cl9  1  0.555  0.774  0.738  1.0
  Cl  Cl10  1  0.445  0.226  0.262  1.0
  Cl  Cl11  1  0.023  0.771  0.923  1.0
[/CIF]
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The compound described by MoCl5 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two MoCl5 clusters. Mo(1) is bonded in a 4-coordinate geometry to one Cl(1), one Cl(2), one Cl(3), one Cl(4), and one Cl(5) atom. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Mo(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Mo(1) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Mo(1) atom. In the fourth Cl site, Cl(4) is bonded in a distorted single-bond geometry to one Mo(1) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MoCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.468
_cell_length_b   6.952
_cell_length_c   9.497
_cell_angle_alpha   109.692
_cell_angle_beta   91.332
_cell_angle_gamma   116.763
_symmetry_Int_Tables_number   1
_cell_volume   351.165
_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
  Mo  Mo0  1  0.391  0.001  0.714  1.0
  Mo  Mo1  1  0.609  0.999  0.286  1.0
  Cl  Cl2  1  0.772  0.222  0.462  1.0
  Cl  Cl3  1  0.759  0.782  0.354  1.0
  Cl  Cl4  1  0.228  0.778  0.538  1.0
  Cl  Cl5  1  0.596  0.234  0.835  1.0
  Cl  Cl6  1  0.241  0.218  0.646  1.0
  Cl  Cl7  1  0.404  0.766  0.165  1.0
  Cl  Cl8  1  0.977  0.229  0.077  1.0
  Cl  Cl9  1  0.555  0.774  0.738  1.0
  Cl  Cl10  1  0.445  0.226  0.262  1.0
  Cl  Cl11  1  0.023  0.771  0.923  1.0
[/CIF]
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