The compound described by W2(CO)3 crystallizes in the orthorhombic Cmmm space group. W(1) is bonded in a 6-coordinate geometry to one C(2), two equivalent C(1), one O(1), and two equivalent O(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded to two equivalent W(1), one C(1), and two equivalent C(2) atoms to form distorted CW2C3 trigonal bipyramids that share corners with two equivalent C(1)W2C3 trigonal bipyramids, edges with two equivalent C(2)W2C4 octahedra, and edges with three equivalent C(1)W2C3 trigonal bipyramids. In the second C site, C(2) is bonded to two equivalent W(1) and four equivalent C(1) atoms to form distorted CW2C4 octahedra that share edges with two equivalent C(2)W2C4 octahedra and edges with four equivalent C(1)W2C3 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent W(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_W2(CO)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.538
_cell_length_b   5.538
_cell_length_c   3.647
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.872
_symmetry_Int_Tables_number   1
_cell_volume   111.822
_cell_formula_units_Z   1
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
  W  W0  1  0.748  0.252  0.000  1.0
  W  W1  1  0.252  0.748  0.000  1.0
  C  C2  1  0.590  0.410  0.500  1.0
  C  C3  1  0.410  0.590  0.500  1.0
  C  C4  1  0.500  0.500  0.000  1.0
  O  O5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.000  0.500  0.000  1.0
  O  O7  1  0.500  0.000  0.000  1.0
[/CIF]
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The compound described by W2(CO)3 crystallizes in the orthorhombic Cmmm space group. W(1) is bonded in a 6-coordinate geometry to one C(2), two equivalent C(1), one O(1), and two equivalent O(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded to two equivalent W(1), one C(1), and two equivalent C(2) atoms to form distorted CW2C3 trigonal bipyramids that share corners with two equivalent C(1)W2C3 trigonal bipyramids, edges with two equivalent C(2)W2C4 octahedra, and edges with three equivalent C(1)W2C3 trigonal bipyramids. In the second C site, C(2) is bonded to two equivalent W(1) and four equivalent C(1) atoms to form distorted CW2C4 octahedra that share edges with two equivalent C(2)W2C4 octahedra and edges with four equivalent C(1)W2C3 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent W(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_W2(CO)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.538
_cell_length_b   5.538
_cell_length_c   3.647
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.872
_symmetry_Int_Tables_number   1
_cell_volume   111.822
_cell_formula_units_Z   1
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
  W  W0  1  0.748  0.252  0.000  1.0
  W  W1  1  0.252  0.748  0.000  1.0
  C  C2  1  0.590  0.410  0.500  1.0
  C  C3  1  0.410  0.590  0.500  1.0
  C  C4  1  0.500  0.500  0.000  1.0
  O  O5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.000  0.500  0.000  1.0
  O  O7  1  0.500  0.000  0.000  1.0
[/CIF]
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