The material structure described by Mn(CO)5Cl is Cyanogen Chloride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four Mn(CO)5Cl clusters. Mn(1) is bonded in an octahedral geometry to one C(3), two equivalent C(1), two equivalent C(2), and one Cl(1) atom. There are three 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. 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(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(3) atom. Cl(1) is bonded in a single-bond geometry to one Mn(1) atom. is represented by the CIF card [CIF]
data_MnC5ClO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.031
_cell_length_b   11.629
_cell_length_c   11.680
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   819.193
_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  0.950  0.750  0.878  1.0
  Mn  Mn1  1  0.450  0.250  0.622  1.0
  Mn  Mn2  1  0.050  0.250  0.122  1.0
  Mn  Mn3  1  0.550  0.750  0.378  1.0
  C  C4  1  0.426  0.635  0.282  1.0
  C  C5  1  0.312  0.367  0.535  1.0
  C  C6  1  0.188  0.133  0.035  1.0
  C  C7  1  0.693  0.250  0.528  1.0
  C  C8  1  0.688  0.867  0.465  1.0
  C  C9  1  0.426  0.865  0.282  1.0
  C  C10  1  0.926  0.365  0.218  1.0
  C  C11  1  0.926  0.135  0.218  1.0
  C  C12  1  0.193  0.750  0.972  1.0
  C  C13  1  0.074  0.865  0.782  1.0
  C  C14  1  0.574  0.135  0.718  1.0
  C  C15  1  0.807  0.250  0.028  1.0
  C  C16  1  0.188  0.367  0.035  1.0
  C  C17  1  0.074  0.635  0.782  1.0
  C  C18  1  0.812  0.867  0.965  1.0
  C  C19  1  0.688  0.633  0.465  1.0
  C  C20  1  0.307  0.750  0.472  1.0
  C  C21  1  0.812  0.633  0.965  1.0
  C  C22  1  0.312  0.133  0.535  1.0
  C  C23  1  0.574  0.365  0.718  1.0
  Cl  Cl24  1  0.871  0.750  0.255  1.0
  Cl  Cl25  1  0.129  0.250  0.745  1.0
  Cl  Cl26  1  0.629  0.750  0.755  1.0
  Cl  Cl27  1  0.371  0.250  0.245  1.0
  O  O28  1  0.146  0.563  0.725  1.0
  O  O29  1  0.735  0.559  0.017  1.0
  O  O30  1  0.265  0.441  0.983  1.0
  O  O31  1  0.346  0.750  0.032  1.0
  O  O32  1  0.854  0.063  0.275  1.0
  O  O33  1  0.654  0.250  0.968  1.0
  O  O34  1  0.235  0.059  0.483  1.0
  O  O35  1  0.765  0.941  0.517  1.0
  O  O36  1  0.146  0.937  0.725  1.0
  O  O37  1  0.265  0.059  0.983  1.0
  O  O38  1  0.235  0.441  0.483  1.0
  O  O39  1  0.765  0.559  0.517  1.0
  O  O40  1  0.354  0.563  0.225  1.0
  O  O41  1  0.646  0.063  0.775  1.0
  O  O42  1  0.854  0.437  0.275  1.0
  O  O43  1  0.846  0.250  0.468  1.0
  O  O44  1  0.154  0.750  0.532  1.0
  O  O45  1  0.646  0.437  0.775  1.0
  O  O46  1  0.735  0.941  0.017  1.0
  O  O47  1  0.354  0.937  0.225  1.0
[/CIF]
.
The material structure described by Mn(CO)5Cl is Cyanogen Chloride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four Mn(CO)5Cl clusters. Mn(1) is bonded in an octahedral geometry to one C(3), two equivalent C(1), two equivalent C(2), and one Cl(1) atom. There are three 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. 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(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(3) atom. Cl(1) is bonded in a single-bond geometry to one Mn(1) atom. is represented by the CIF card [CIF]
data_MnC5ClO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.031
_cell_length_b   11.629
_cell_length_c   11.680
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   819.193
_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  0.950  0.750  0.878  1.0
  Mn  Mn1  1  0.450  0.250  0.622  1.0
  Mn  Mn2  1  0.050  0.250  0.122  1.0
  Mn  Mn3  1  0.550  0.750  0.378  1.0
  C  C4  1  0.426  0.635  0.282  1.0
  C  C5  1  0.312  0.367  0.535  1.0
  C  C6  1  0.188  0.133  0.035  1.0
  C  C7  1  0.693  0.250  0.528  1.0
  C  C8  1  0.688  0.867  0.465  1.0
  C  C9  1  0.426  0.865  0.282  1.0
  C  C10  1  0.926  0.365  0.218  1.0
  C  C11  1  0.926  0.135  0.218  1.0
  C  C12  1  0.193  0.750  0.972  1.0
  C  C13  1  0.074  0.865  0.782  1.0
  C  C14  1  0.574  0.135  0.718  1.0
  C  C15  1  0.807  0.250  0.028  1.0
  C  C16  1  0.188  0.367  0.035  1.0
  C  C17  1  0.074  0.635  0.782  1.0
  C  C18  1  0.812  0.867  0.965  1.0
  C  C19  1  0.688  0.633  0.465  1.0
  C  C20  1  0.307  0.750  0.472  1.0
  C  C21  1  0.812  0.633  0.965  1.0
  C  C22  1  0.312  0.133  0.535  1.0
  C  C23  1  0.574  0.365  0.718  1.0
  Cl  Cl24  1  0.871  0.750  0.255  1.0
  Cl  Cl25  1  0.129  0.250  0.745  1.0
  Cl  Cl26  1  0.629  0.750  0.755  1.0
  Cl  Cl27  1  0.371  0.250  0.245  1.0
  O  O28  1  0.146  0.563  0.725  1.0
  O  O29  1  0.735  0.559  0.017  1.0
  O  O30  1  0.265  0.441  0.983  1.0
  O  O31  1  0.346  0.750  0.032  1.0
  O  O32  1  0.854  0.063  0.275  1.0
  O  O33  1  0.654  0.250  0.968  1.0
  O  O34  1  0.235  0.059  0.483  1.0
  O  O35  1  0.765  0.941  0.517  1.0
  O  O36  1  0.146  0.937  0.725  1.0
  O  O37  1  0.265  0.059  0.983  1.0
  O  O38  1  0.235  0.441  0.483  1.0
  O  O39  1  0.765  0.559  0.517  1.0
  O  O40  1  0.354  0.563  0.225  1.0
  O  O41  1  0.646  0.063  0.775  1.0
  O  O42  1  0.854  0.437  0.275  1.0
  O  O43  1  0.846  0.250  0.468  1.0
  O  O44  1  0.154  0.750  0.532  1.0
  O  O45  1  0.646  0.437  0.775  1.0
  O  O46  1  0.735  0.941  0.017  1.0
  O  O47  1  0.354  0.937  0.225  1.0
[/CIF]
.