The crystal structure described by CoH8(CO5)2 crystallizes in the monoclinic P2_1/c space group. Co(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. C(1) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(5) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(2) atom. In the second H site, H(2) is bonded in a distorted bent 150 degrees geometry to one O(2) and one O(3) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(1) and one O(5) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(3) and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Co(1), one H(1), and one H(3) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one C(1), one H(1), and one H(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Co(1), one H(2), and one H(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Co(1) and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one C(1), one H(3), and one H(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoH8(CO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.031
_cell_length_b   6.459
_cell_length_c   11.986
_cell_angle_alpha   65.530
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   424.988
_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
  Co  Co0  1  0.000  0.000  0.000  1.0
  Co  Co1  1  0.500  0.000  0.500  1.0
  H  H2  1  0.684  0.285  0.931  1.0
  H  H3  1  0.690  0.788  0.983  1.0
  H  H4  1  0.911  0.422  0.885  1.0
  H  H5  1  0.853  0.829  0.860  1.0
  H  H6  1  0.411  0.578  0.615  1.0
  H  H7  1  0.353  0.171  0.640  1.0
  H  H8  1  0.184  0.715  0.569  1.0
  H  H9  1  0.190  0.212  0.517  1.0
  H  H10  1  0.810  0.788  0.483  1.0
  H  H11  1  0.816  0.285  0.431  1.0
  H  H12  1  0.647  0.829  0.360  1.0
  H  H13  1  0.589  0.422  0.385  1.0
  H  H14  1  0.147  0.171  0.140  1.0
  H  H15  1  0.089  0.578  0.115  1.0
  H  H16  1  0.310  0.212  0.017  1.0
  H  H17  1  0.316  0.715  0.069  1.0
  C  C18  1  0.344  0.254  0.825  1.0
  C  C19  1  0.844  0.746  0.675  1.0
  C  C20  1  0.156  0.254  0.325  1.0
  C  C21  1  0.656  0.746  0.175  1.0
  O  O22  1  0.847  0.284  0.954  1.0
  O  O23  1  0.429  0.327  0.901  1.0
  O  O24  1  0.790  0.905  0.913  1.0
  O  O25  1  0.175  0.110  0.857  1.0
  O  O26  1  0.916  0.689  0.784  1.0
  O  O27  1  0.416  0.311  0.716  1.0
  O  O28  1  0.675  0.890  0.643  1.0
  O  O29  1  0.929  0.673  0.599  1.0
  O  O30  1  0.347  0.716  0.546  1.0
  O  O31  1  0.290  0.095  0.587  1.0
  O  O32  1  0.710  0.905  0.413  1.0
  O  O33  1  0.653  0.284  0.454  1.0
  O  O34  1  0.071  0.327  0.401  1.0
  O  O35  1  0.325  0.110  0.357  1.0
  O  O36  1  0.584  0.689  0.284  1.0
  O  O37  1  0.084  0.311  0.216  1.0
  O  O38  1  0.825  0.890  0.143  1.0
  O  O39  1  0.210  0.095  0.087  1.0
  O  O40  1  0.571  0.673  0.099  1.0
  O  O41  1  0.153  0.716  0.046  1.0
[/CIF]
.
The crystal structure described by CoH8(CO5)2 crystallizes in the monoclinic P2_1/c space group. Co(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. C(1) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(5) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(2) atom. In the second H site, H(2) is bonded in a distorted bent 150 degrees geometry to one O(2) and one O(3) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(1) and one O(5) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(3) and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Co(1), one H(1), and one H(3) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one C(1), one H(1), and one H(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Co(1), one H(2), and one H(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Co(1) and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one C(1), one H(3), and one H(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoH8(CO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.031
_cell_length_b   6.459
_cell_length_c   11.986
_cell_angle_alpha   65.530
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   424.988
_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
  Co  Co0  1  0.000  0.000  0.000  1.0
  Co  Co1  1  0.500  0.000  0.500  1.0
  H  H2  1  0.684  0.285  0.931  1.0
  H  H3  1  0.690  0.788  0.983  1.0
  H  H4  1  0.911  0.422  0.885  1.0
  H  H5  1  0.853  0.829  0.860  1.0
  H  H6  1  0.411  0.578  0.615  1.0
  H  H7  1  0.353  0.171  0.640  1.0
  H  H8  1  0.184  0.715  0.569  1.0
  H  H9  1  0.190  0.212  0.517  1.0
  H  H10  1  0.810  0.788  0.483  1.0
  H  H11  1  0.816  0.285  0.431  1.0
  H  H12  1  0.647  0.829  0.360  1.0
  H  H13  1  0.589  0.422  0.385  1.0
  H  H14  1  0.147  0.171  0.140  1.0
  H  H15  1  0.089  0.578  0.115  1.0
  H  H16  1  0.310  0.212  0.017  1.0
  H  H17  1  0.316  0.715  0.069  1.0
  C  C18  1  0.344  0.254  0.825  1.0
  C  C19  1  0.844  0.746  0.675  1.0
  C  C20  1  0.156  0.254  0.325  1.0
  C  C21  1  0.656  0.746  0.175  1.0
  O  O22  1  0.847  0.284  0.954  1.0
  O  O23  1  0.429  0.327  0.901  1.0
  O  O24  1  0.790  0.905  0.913  1.0
  O  O25  1  0.175  0.110  0.857  1.0
  O  O26  1  0.916  0.689  0.784  1.0
  O  O27  1  0.416  0.311  0.716  1.0
  O  O28  1  0.675  0.890  0.643  1.0
  O  O29  1  0.929  0.673  0.599  1.0
  O  O30  1  0.347  0.716  0.546  1.0
  O  O31  1  0.290  0.095  0.587  1.0
  O  O32  1  0.710  0.905  0.413  1.0
  O  O33  1  0.653  0.284  0.454  1.0
  O  O34  1  0.071  0.327  0.401  1.0
  O  O35  1  0.325  0.110  0.357  1.0
  O  O36  1  0.584  0.689  0.284  1.0
  O  O37  1  0.084  0.311  0.216  1.0
  O  O38  1  0.825  0.890  0.143  1.0
  O  O39  1  0.210  0.095  0.087  1.0
  O  O40  1  0.571  0.673  0.099  1.0
  O  O41  1  0.153  0.716  0.046  1.0
[/CIF]
.