The structure described by Fe(CO)5 is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four Fe(CO)5 clusters. Fe(1) is bonded in a trigonal bipyramidal geometry to one C(2), two equivalent C(1), and two equivalent C(3) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Fe(1) and one O(1) atom. In the second C site, C(2) is bonded in a linear geometry to one Fe(1) and one O(3) atom. In the third C site, C(3) is bonded in a linear geometry to one Fe(1) and one O(2) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(3) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe(CO)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.857
_cell_length_b   6.857
_cell_length_c   9.416
_cell_angle_alpha   74.478
_cell_angle_beta   74.478
_cell_angle_gamma   59.907
_symmetry_Int_Tables_number   1
_cell_volume   364.345
_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
  Fe  Fe0  1  0.167  0.833  0.250  1.0
  Fe  Fe1  1  0.833  0.167  0.750  1.0
  C  C2  1  0.965  0.293  0.817  1.0
  C  C3  1  0.905  0.095  0.250  1.0
  C  C4  1  0.780  0.385  0.588  1.0
  C  C5  1  0.095  0.905  0.750  1.0
  C  C6  1  0.385  0.780  0.088  1.0
  C  C7  1  0.707  0.035  0.683  1.0
  C  C8  1  0.293  0.965  0.317  1.0
  C  C9  1  0.035  0.707  0.183  1.0
  C  C10  1  0.615  0.220  0.912  1.0
  C  C11  1  0.220  0.615  0.412  1.0
  O  O12  1  0.950  0.629  0.141  1.0
  O  O13  1  0.256  0.473  0.516  1.0
  O  O14  1  0.744  0.527  0.484  1.0
  O  O15  1  0.371  0.050  0.359  1.0
  O  O16  1  0.629  0.950  0.641  1.0
  O  O17  1  0.473  0.256  0.016  1.0
  O  O18  1  0.050  0.371  0.859  1.0
  O  O19  1  0.735  0.265  0.250  1.0
  O  O20  1  0.527  0.744  0.984  1.0
  O  O21  1  0.265  0.735  0.750  1.0
[/CIF]
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The structure described by Fe(CO)5 is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four Fe(CO)5 clusters. Fe(1) is bonded in a trigonal bipyramidal geometry to one C(2), two equivalent C(1), and two equivalent C(3) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Fe(1) and one O(1) atom. In the second C site, C(2) is bonded in a linear geometry to one Fe(1) and one O(3) atom. In the third C site, C(3) is bonded in a linear geometry to one Fe(1) and one O(2) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(3) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe(CO)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.857
_cell_length_b   6.857
_cell_length_c   9.416
_cell_angle_alpha   74.478
_cell_angle_beta   74.478
_cell_angle_gamma   59.907
_symmetry_Int_Tables_number   1
_cell_volume   364.345
_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
  Fe  Fe0  1  0.167  0.833  0.250  1.0
  Fe  Fe1  1  0.833  0.167  0.750  1.0
  C  C2  1  0.965  0.293  0.817  1.0
  C  C3  1  0.905  0.095  0.250  1.0
  C  C4  1  0.780  0.385  0.588  1.0
  C  C5  1  0.095  0.905  0.750  1.0
  C  C6  1  0.385  0.780  0.088  1.0
  C  C7  1  0.707  0.035  0.683  1.0
  C  C8  1  0.293  0.965  0.317  1.0
  C  C9  1  0.035  0.707  0.183  1.0
  C  C10  1  0.615  0.220  0.912  1.0
  C  C11  1  0.220  0.615  0.412  1.0
  O  O12  1  0.950  0.629  0.141  1.0
  O  O13  1  0.256  0.473  0.516  1.0
  O  O14  1  0.744  0.527  0.484  1.0
  O  O15  1  0.371  0.050  0.359  1.0
  O  O16  1  0.629  0.950  0.641  1.0
  O  O17  1  0.473  0.256  0.016  1.0
  O  O18  1  0.050  0.371  0.859  1.0
  O  O19  1  0.735  0.265  0.250  1.0
  O  O20  1  0.527  0.744  0.984  1.0
  O  O21  1  0.265  0.735  0.750  1.0
[/CIF]
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