The crystal structure described by FeC4H12(N5S2)2 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one FeC4H12(N5S2)2 cluster. Fe(1) is bonded in a distorted octahedral geometry to two equivalent N(2), two equivalent N(5), and two equivalent S(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one N(1), one N(4), and one S(1) atom. In the second C site, C(2) is bonded in a distorted linear geometry to one N(5) and one S(2) atom. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one C(1), one N(2), and one H(1) atom. In the second N site, N(2) is bonded in a distorted water-like geometry to one Fe(1), one N(1), one H(2), and one H(3) atom. In the third N site, N(3) is bonded in a distorted water-like geometry to one N(4) and two equivalent H(4,6) atoms. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one C(1), one N(3), and one H(5) atom. In the fifth N site, N(5) is bonded in a linear geometry to one Fe(1) and one C(2) atom. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(2) atom. In the fourth H site, H(4,6) is bonded in a single-bond geometry to one N(3) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(4) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one Fe(1) and one C(1) atom. In the second S site, S(2) is bonded in a single-bond geometry to one C(2) atom. is represented by the CIF card [CIF]
data_FeH12C4(S2N5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.504
_cell_length_b   8.291
_cell_length_c   8.980
_cell_angle_alpha   79.108
_cell_angle_beta   83.813
_cell_angle_gamma   86.967
_symmetry_Int_Tables_number   1
_cell_volume   399.865
_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
  Fe  Fe0  1  0.000  0.500  0.000  1.0
  H  H1  1  0.157  0.805  0.286  1.0
  H  H2  1  0.843  0.195  0.714  1.0
  H  H3  1  0.207  0.785  0.021  1.0
  H  H4  1  0.793  0.215  0.979  1.0
  H  H5  1  0.369  0.634  0.118  1.0
  H  H6  1  0.631  0.366  0.882  1.0
  H  H7  1  0.992  0.765  0.597  1.0
  H  H8  1  0.008  0.235  0.403  1.0
  H  H9  1  0.658  0.630  0.512  1.0
  H  H10  1  0.342  0.370  0.488  1.0
  H  H11  1  0.792  0.903  0.515  1.0
  H  H12  1  0.208  0.097  0.485  1.0
  C  C13  1  0.887  0.640  0.316  1.0
  C  C14  1  0.113  0.360  0.684  1.0
  C  C15  1  0.657  0.807  0.852  1.0
  C  C16  1  0.343  0.193  0.148  1.0
  S  S17  1  0.744  0.490  0.254  1.0
  S  S18  1  0.256  0.510  0.746  1.0
  S  S19  1  0.485  0.961  0.781  1.0
  S  S20  1  0.515  0.039  0.219  1.0
  N  N21  1  0.084  0.717  0.239  1.0
  N  N22  1  0.916  0.283  0.761  1.0
  N  N23  1  0.194  0.679  0.101  1.0
  N  N24  1  0.806  0.321  0.899  1.0
  N  N25  1  0.920  0.813  0.497  1.0
  N  N26  1  0.080  0.187  0.503  1.0
  N  N27  1  0.804  0.687  0.448  1.0
  N  N28  1  0.196  0.313  0.552  1.0
  N  N29  1  0.781  0.693  0.905  1.0
  N  N30  1  0.219  0.307  0.095  1.0
[/CIF]
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The crystal structure described by FeC4H12(N5S2)2 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one FeC4H12(N5S2)2 cluster. Fe(1) is bonded in a distorted octahedral geometry to two equivalent N(2), two equivalent N(5), and two equivalent S(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one N(1), one N(4), and one S(1) atom. In the second C site, C(2) is bonded in a distorted linear geometry to one N(5) and one S(2) atom. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one C(1), one N(2), and one H(1) atom. In the second N site, N(2) is bonded in a distorted water-like geometry to one Fe(1), one N(1), one H(2), and one H(3) atom. In the third N site, N(3) is bonded in a distorted water-like geometry to one N(4) and two equivalent H(4,6) atoms. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one C(1), one N(3), and one H(5) atom. In the fifth N site, N(5) is bonded in a linear geometry to one Fe(1) and one C(2) atom. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(2) atom. In the fourth H site, H(4,6) is bonded in a single-bond geometry to one N(3) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(4) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one Fe(1) and one C(1) atom. In the second S site, S(2) is bonded in a single-bond geometry to one C(2) atom. is represented by the CIF card [CIF]
data_FeH12C4(S2N5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.504
_cell_length_b   8.291
_cell_length_c   8.980
_cell_angle_alpha   79.108
_cell_angle_beta   83.813
_cell_angle_gamma   86.967
_symmetry_Int_Tables_number   1
_cell_volume   399.865
_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
  Fe  Fe0  1  0.000  0.500  0.000  1.0
  H  H1  1  0.157  0.805  0.286  1.0
  H  H2  1  0.843  0.195  0.714  1.0
  H  H3  1  0.207  0.785  0.021  1.0
  H  H4  1  0.793  0.215  0.979  1.0
  H  H5  1  0.369  0.634  0.118  1.0
  H  H6  1  0.631  0.366  0.882  1.0
  H  H7  1  0.992  0.765  0.597  1.0
  H  H8  1  0.008  0.235  0.403  1.0
  H  H9  1  0.658  0.630  0.512  1.0
  H  H10  1  0.342  0.370  0.488  1.0
  H  H11  1  0.792  0.903  0.515  1.0
  H  H12  1  0.208  0.097  0.485  1.0
  C  C13  1  0.887  0.640  0.316  1.0
  C  C14  1  0.113  0.360  0.684  1.0
  C  C15  1  0.657  0.807  0.852  1.0
  C  C16  1  0.343  0.193  0.148  1.0
  S  S17  1  0.744  0.490  0.254  1.0
  S  S18  1  0.256  0.510  0.746  1.0
  S  S19  1  0.485  0.961  0.781  1.0
  S  S20  1  0.515  0.039  0.219  1.0
  N  N21  1  0.084  0.717  0.239  1.0
  N  N22  1  0.916  0.283  0.761  1.0
  N  N23  1  0.194  0.679  0.101  1.0
  N  N24  1  0.806  0.321  0.899  1.0
  N  N25  1  0.920  0.813  0.497  1.0
  N  N26  1  0.080  0.187  0.503  1.0
  N  N27  1  0.804  0.687  0.448  1.0
  N  N28  1  0.196  0.313  0.552  1.0
  N  N29  1  0.781  0.693  0.905  1.0
  N  N30  1  0.219  0.307  0.095  1.0
[/CIF]
.