The structure described by Mo2(CN2)3 crystallizes in the monoclinic C2/m space group. Mo(1) is bonded in a 7-coordinate geometry to two equivalent N(1), two equivalent N(3), and three equivalent N(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(1) and one N(2) atom. In the second C site, C(2) is bonded in a linear geometry to two equivalent N(3) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to two equivalent Mo(1) and one C(1) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to three equivalent Mo(1) and one C(1) atom. In the third N site, N(3) is bonded in a distorted single-bond geometry to two equivalent Mo(1) and one C(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mo2(CN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.876
_cell_length_b   3.148
_cell_length_c   5.157
_cell_angle_alpha   90.000
_cell_angle_beta   82.589
_cell_angle_gamma   76.769
_symmetry_Int_Tables_number   1
_cell_volume   107.695
_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
  Mo  Mo0  1  0.261  0.869  0.940  1.0
  Mo  Mo1  1  0.739  0.131  0.060  1.0
  C  C2  1  0.655  0.672  0.584  1.0
  C  C3  1  0.345  0.328  0.416  1.0
  C  C4  1  0.000  0.000  0.500  1.0
  N  N5  1  0.314  0.343  0.653  1.0
  N  N6  1  0.686  0.657  0.347  1.0
  N  N7  1  0.389  0.306  0.169  1.0
  N  N8  1  0.611  0.694  0.831  1.0
  N  N9  1  0.021  0.990  0.257  1.0
  N  N10  1  0.979  0.010  0.743  1.0
[/CIF]
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The structure described by Mo2(CN2)3 crystallizes in the monoclinic C2/m space group. Mo(1) is bonded in a 7-coordinate geometry to two equivalent N(1), two equivalent N(3), and three equivalent N(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(1) and one N(2) atom. In the second C site, C(2) is bonded in a linear geometry to two equivalent N(3) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to two equivalent Mo(1) and one C(1) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to three equivalent Mo(1) and one C(1) atom. In the third N site, N(3) is bonded in a distorted single-bond geometry to two equivalent Mo(1) and one C(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mo2(CN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.876
_cell_length_b   3.148
_cell_length_c   5.157
_cell_angle_alpha   90.000
_cell_angle_beta   82.589
_cell_angle_gamma   76.769
_symmetry_Int_Tables_number   1
_cell_volume   107.695
_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
  Mo  Mo0  1  0.261  0.869  0.940  1.0
  Mo  Mo1  1  0.739  0.131  0.060  1.0
  C  C2  1  0.655  0.672  0.584  1.0
  C  C3  1  0.345  0.328  0.416  1.0
  C  C4  1  0.000  0.000  0.500  1.0
  N  N5  1  0.314  0.343  0.653  1.0
  N  N6  1  0.686  0.657  0.347  1.0
  N  N7  1  0.389  0.306  0.169  1.0
  N  N8  1  0.611  0.694  0.831  1.0
  N  N9  1  0.021  0.990  0.257  1.0
  N  N10  1  0.979  0.010  0.743  1.0
[/CIF]
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