The compound described by CdCNSOBr2N2 crystallizes in the monoclinic Cc space group. The structure consists of four 7727-37-9 molecules inside a CdCNSOBr2 framework. In the CdCNSOBr2 framework, Cd(1) is bonded to one N(1), one S(1), one Br(2), and two equivalent Br(1) atoms to form distorted corner-sharing CdSBr3N trigonal bipyramids. C(1) is bonded in a distorted linear geometry to one N(1) and one S(1) atom. N(1) is bonded in a bent 150 degrees geometry to one Cd(1) and one C(1) atom. S(1) is bonded in a trigonal non-coplanar geometry to one Cd(1), one C(1), and one O(1) atom. O(1) is bonded in a distorted trigonal non-coplanar geometry to one S(1) and two equivalent Br(2) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a water-like geometry to two equivalent Cd(1) atoms. In the second Br site, Br(2) is bonded in a distorted trigonal non-coplanar geometry to one Cd(1) and two equivalent O(1) atoms. is represented by the CIF file [CIF]
data_CdCSBr2N3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.024
_cell_length_b   10.024
_cell_length_c   7.159
_cell_angle_alpha   70.126
_cell_angle_beta   70.126
_cell_angle_gamma   119.694
_symmetry_Int_Tables_number   1
_cell_volume   460.010
_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
  Cd  Cd0  1  0.336  0.960  0.446  1.0
  Cd  Cd1  1  0.960  0.336  0.946  1.0
  C  C2  1  0.852  0.221  0.585  1.0
  C  C3  1  0.221  0.852  0.085  1.0
  S  S4  1  0.758  0.100  0.491  1.0
  S  S5  1  0.100  0.758  0.991  1.0
  Br  Br6  1  0.335  0.675  0.589  1.0
  Br  Br7  1  0.675  0.335  0.089  1.0
  Br  Br8  1  0.085  0.016  0.544  1.0
  Br  Br9  1  0.016  0.085  0.044  1.0
  N  N10  1  0.917  0.301  0.661  1.0
  N  N11  1  0.301  0.917  0.161  1.0
  N  N12  1  0.607  0.449  0.582  1.0
  N  N13  1  0.449  0.607  0.082  1.0
  N  N14  1  0.503  0.323  0.594  1.0
  N  N15  1  0.323  0.503  0.094  1.0
  O  O16  1  0.818  0.897  0.508  1.0
  O  O17  1  0.897  0.818  0.008  1.0
[/CIF]
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The compound described by CdCNSOBr2N2 crystallizes in the monoclinic Cc space group. The structure consists of four 7727-37-9 molecules inside a CdCNSOBr2 framework. In the CdCNSOBr2 framework, Cd(1) is bonded to one N(1), one S(1), one Br(2), and two equivalent Br(1) atoms to form distorted corner-sharing CdSBr3N trigonal bipyramids. C(1) is bonded in a distorted linear geometry to one N(1) and one S(1) atom. N(1) is bonded in a bent 150 degrees geometry to one Cd(1) and one C(1) atom. S(1) is bonded in a trigonal non-coplanar geometry to one Cd(1), one C(1), and one O(1) atom. O(1) is bonded in a distorted trigonal non-coplanar geometry to one S(1) and two equivalent Br(2) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a water-like geometry to two equivalent Cd(1) atoms. In the second Br site, Br(2) is bonded in a distorted trigonal non-coplanar geometry to one Cd(1) and two equivalent O(1) atoms. is represented by the CIF file [CIF]
data_CdCSBr2N3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.024
_cell_length_b   10.024
_cell_length_c   7.159
_cell_angle_alpha   70.126
_cell_angle_beta   70.126
_cell_angle_gamma   119.694
_symmetry_Int_Tables_number   1
_cell_volume   460.010
_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
  Cd  Cd0  1  0.336  0.960  0.446  1.0
  Cd  Cd1  1  0.960  0.336  0.946  1.0
  C  C2  1  0.852  0.221  0.585  1.0
  C  C3  1  0.221  0.852  0.085  1.0
  S  S4  1  0.758  0.100  0.491  1.0
  S  S5  1  0.100  0.758  0.991  1.0
  Br  Br6  1  0.335  0.675  0.589  1.0
  Br  Br7  1  0.675  0.335  0.089  1.0
  Br  Br8  1  0.085  0.016  0.544  1.0
  Br  Br9  1  0.016  0.085  0.044  1.0
  N  N10  1  0.917  0.301  0.661  1.0
  N  N11  1  0.301  0.917  0.161  1.0
  N  N12  1  0.607  0.449  0.582  1.0
  N  N13  1  0.449  0.607  0.082  1.0
  N  N14  1  0.503  0.323  0.594  1.0
  N  N15  1  0.323  0.503  0.094  1.0
  O  O16  1  0.818  0.897  0.508  1.0
  O  O17  1  0.897  0.818  0.008  1.0
[/CIF]
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