The crystal structure described by Mn(CO)5 is Cubic alpha N2-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight Mn(CO)5 clusters. Mn(1) is bonded in a square pyramidal geometry to one C(1), one C(2), one C(3), one C(4), and one C(5) atom. There are five inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Mn(1) and one O(1) atom. In the second C site, C(2) is bonded in a linear geometry to one Mn(1) and one O(2) atom. In the third C site, C(3) is bonded in a linear geometry to one Mn(1) and one O(3) atom. In the fourth C site, C(4) is bonded in a linear geometry to one Mn(1) and one O(4) atom. In the fifth C site, C(5) is bonded in a linear geometry to one Mn(1) and one O(5) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded in a single-bond geometry to one C(5) atom. In the second O site, O(1) is bonded in a single-bond geometry to one C(1) atom. In the third O site, O(2) is bonded in a single-bond geometry to one C(2) atom. In the fourth O site, O(3) is bonded in a single-bond geometry to one C(3) atom. In the fifth O site, O(4) is bonded in a single-bond geometry to one C(4) atom. is represented by the CIF file [CIF]
data_Mn(CO)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.741
_cell_length_b   9.741
_cell_length_c   14.564
_cell_angle_alpha   56.734
_cell_angle_beta   56.734
_cell_angle_gamma   44.236
_symmetry_Int_Tables_number   1
_cell_volume   776.920
_cell_formula_units_Z   4
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
  Mn  Mn0  1  0.301  0.837  0.778  1.0
  Mn  Mn1  1  0.163  0.699  0.722  1.0
  Mn  Mn2  1  0.699  0.163  0.222  1.0
  Mn  Mn3  1  0.837  0.301  0.278  1.0
  C  C4  1  0.393  0.916  0.807  1.0
  C  C5  1  0.084  0.607  0.693  1.0
  C  C6  1  0.607  0.084  0.193  1.0
  C  C7  1  0.916  0.393  0.307  1.0
  C  C8  1  0.307  0.642  0.917  1.0
  C  C9  1  0.358  0.693  0.583  1.0
  C  C10  1  0.693  0.358  0.083  1.0
  C  C11  1  0.642  0.307  0.417  1.0
  C  C12  1  0.271  0.023  0.636  1.0
  C  C13  1  0.977  0.729  0.864  1.0
  C  C14  1  0.729  0.977  0.364  1.0
  C  C15  1  0.023  0.271  0.136  1.0
  C  C16  1  0.030  0.024  0.843  1.0
  C  C17  1  0.976  0.970  0.657  1.0
  C  C18  1  0.970  0.976  0.157  1.0
  C  C19  1  0.024  0.030  0.343  1.0
  C  C20  1  0.564  0.636  0.713  1.0
  C  C21  1  0.364  0.436  0.787  1.0
  C  C22  1  0.436  0.364  0.287  1.0
  C  C23  1  0.636  0.564  0.213  1.0
  O  O24  1  0.451  0.967  0.825  1.0
  O  O25  1  0.033  0.549  0.675  1.0
  O  O26  1  0.549  0.033  0.175  1.0
  O  O27  1  0.967  0.451  0.325  1.0
  O  O28  1  0.308  0.522  0.004  1.0
  O  O29  1  0.478  0.692  0.496  1.0
  O  O30  1  0.692  0.478  0.996  1.0
  O  O31  1  0.522  0.308  0.504  1.0
  O  O32  1  0.250  0.142  0.548  1.0
  O  O33  1  0.858  0.750  0.952  1.0
  O  O34  1  0.750  0.858  0.452  1.0
  O  O35  1  0.142  0.250  0.048  1.0
  O  O36  1  0.862  0.138  0.887  1.0
  O  O37  1  0.862  0.138  0.613  1.0
  O  O38  1  0.138  0.862  0.113  1.0
  O  O39  1  0.138  0.862  0.387  1.0
  O  O40  1  0.727  0.512  0.673  1.0
  O  O41  1  0.488  0.273  0.827  1.0
  O  O42  1  0.273  0.488  0.327  1.0
  O  O43  1  0.512  0.727  0.173  1.0
[/CIF]
.
The crystal structure described by Mn(CO)5 is Cubic alpha N2-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight Mn(CO)5 clusters. Mn(1) is bonded in a square pyramidal geometry to one C(1), one C(2), one C(3), one C(4), and one C(5) atom. There are five inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Mn(1) and one O(1) atom. In the second C site, C(2) is bonded in a linear geometry to one Mn(1) and one O(2) atom. In the third C site, C(3) is bonded in a linear geometry to one Mn(1) and one O(3) atom. In the fourth C site, C(4) is bonded in a linear geometry to one Mn(1) and one O(4) atom. In the fifth C site, C(5) is bonded in a linear geometry to one Mn(1) and one O(5) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded in a single-bond geometry to one C(5) atom. In the second O site, O(1) is bonded in a single-bond geometry to one C(1) atom. In the third O site, O(2) is bonded in a single-bond geometry to one C(2) atom. In the fourth O site, O(3) is bonded in a single-bond geometry to one C(3) atom. In the fifth O site, O(4) is bonded in a single-bond geometry to one C(4) atom. is represented by the CIF file [CIF]
data_Mn(CO)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.741
_cell_length_b   9.741
_cell_length_c   14.564
_cell_angle_alpha   56.734
_cell_angle_beta   56.734
_cell_angle_gamma   44.236
_symmetry_Int_Tables_number   1
_cell_volume   776.920
_cell_formula_units_Z   4
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
  Mn  Mn0  1  0.301  0.837  0.778  1.0
  Mn  Mn1  1  0.163  0.699  0.722  1.0
  Mn  Mn2  1  0.699  0.163  0.222  1.0
  Mn  Mn3  1  0.837  0.301  0.278  1.0
  C  C4  1  0.393  0.916  0.807  1.0
  C  C5  1  0.084  0.607  0.693  1.0
  C  C6  1  0.607  0.084  0.193  1.0
  C  C7  1  0.916  0.393  0.307  1.0
  C  C8  1  0.307  0.642  0.917  1.0
  C  C9  1  0.358  0.693  0.583  1.0
  C  C10  1  0.693  0.358  0.083  1.0
  C  C11  1  0.642  0.307  0.417  1.0
  C  C12  1  0.271  0.023  0.636  1.0
  C  C13  1  0.977  0.729  0.864  1.0
  C  C14  1  0.729  0.977  0.364  1.0
  C  C15  1  0.023  0.271  0.136  1.0
  C  C16  1  0.030  0.024  0.843  1.0
  C  C17  1  0.976  0.970  0.657  1.0
  C  C18  1  0.970  0.976  0.157  1.0
  C  C19  1  0.024  0.030  0.343  1.0
  C  C20  1  0.564  0.636  0.713  1.0
  C  C21  1  0.364  0.436  0.787  1.0
  C  C22  1  0.436  0.364  0.287  1.0
  C  C23  1  0.636  0.564  0.213  1.0
  O  O24  1  0.451  0.967  0.825  1.0
  O  O25  1  0.033  0.549  0.675  1.0
  O  O26  1  0.549  0.033  0.175  1.0
  O  O27  1  0.967  0.451  0.325  1.0
  O  O28  1  0.308  0.522  0.004  1.0
  O  O29  1  0.478  0.692  0.496  1.0
  O  O30  1  0.692  0.478  0.996  1.0
  O  O31  1  0.522  0.308  0.504  1.0
  O  O32  1  0.250  0.142  0.548  1.0
  O  O33  1  0.858  0.750  0.952  1.0
  O  O34  1  0.750  0.858  0.452  1.0
  O  O35  1  0.142  0.250  0.048  1.0
  O  O36  1  0.862  0.138  0.887  1.0
  O  O37  1  0.862  0.138  0.613  1.0
  O  O38  1  0.138  0.862  0.113  1.0
  O  O39  1  0.138  0.862  0.387  1.0
  O  O40  1  0.727  0.512  0.673  1.0
  O  O41  1  0.488  0.273  0.827  1.0
  O  O42  1  0.273  0.488  0.327  1.0
  O  O43  1  0.512  0.727  0.173  1.0
[/CIF]
.