The material described by CH3BC5NH14Cl is Indium-derived structured and crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two 02329_fluka molecules and two BC5NH14Cl clusters. In each BC5NH14Cl cluster, B(1) is bonded in a tetrahedral geometry to one N(1), one H(16), one H(17), and one Cl(1) atom. There are five inequivalent C sites. In the first C site, C(1) is bonded in a trigonal non-coplanar geometry to one C(2), one H(1), one H(2), and one H(3) atom. In the second C site, C(2) is bonded in a 4-coordinate geometry to one C(1), one N(1), one H(4), and one H(5) atom. In the third C site, C(4) is bonded in a 3-coordinate geometry to one N(1), one H(10), and one H(9) atom. In the fourth C site, C(5) is bonded in a trigonal non-coplanar geometry to one C(6), one H(11), one H(12), and one H(13) atom. In the fifth C site, C(6) is bonded in a 4-coordinate geometry to one C(5), one N(1), one H(14), and one H(15) atom. N(1) is bonded in a tetrahedral geometry to one B(1), one C(2), one C(4), and one C(6) atom. There are fourteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(2) atom. In the sixth H site, H(9) is bonded in a single-bond geometry to one C(4) atom. In the seventh H site, H(10) is bonded in a single-bond geometry to one C(4) atom. In the eighth H site, H(11) is bonded in a single-bond geometry to one C(5) atom. In the ninth H site, H(12) is bonded in a single-bond geometry to one C(5) atom. In the tenth H site, H(13) is bonded in a single-bond geometry to one C(5) atom. In the eleventh H site, H(14) is bonded in a single-bond geometry to one C(6) atom. In the twelfth H site, H(15) is bonded in a single-bond geometry to one C(6) atom. In the thirteenth H site, H(16) is bonded in a single-bond geometry to one B(1) atom. In the fourteenth H site, H(17) is bonded in a single-bond geometry to one B(1) atom. Cl(1) is bonded in a single-bond geometry to one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BH17C6NCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.438
_cell_length_b   6.643
_cell_length_c   7.526
_cell_angle_alpha   66.357
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   523.871
_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
  B  B0  1  0.444  0.022  0.728  1.0
  B  B1  1  0.944  0.978  0.272  1.0
  H  H2  1  0.515  0.952  0.108  1.0
  H  H3  1  0.015  0.048  0.892  1.0
  H  H4  1  0.542  0.162  0.191  1.0
  H  H5  1  0.042  0.838  0.809  1.0
  H  H6  1  0.396  0.090  0.166  1.0
  H  H7  1  0.896  0.910  0.834  1.0
  H  H8  1  0.465  0.448  0.896  1.0
  H  H9  1  0.965  0.552  0.104  1.0
  H  H10  1  0.578  0.301  0.839  1.0
  H  H11  1  0.078  0.699  0.161  1.0
  H  H12  1  0.235  0.586  0.704  1.0
  H  H13  1  0.735  0.414  0.296  1.0
  H  H14  1  0.141  0.394  0.876  1.0
  H  H15  1  0.641  0.606  0.124  1.0
  H  H16  1  0.275  0.463  0.955  1.0
  H  H17  1  0.775  0.537  0.045  1.0
  H  H18  1  0.236  0.206  0.695  1.0
  H  H19  1  0.736  0.794  0.305  1.0
  H  H20  1  0.277  0.089  0.942  1.0
  H  H21  1  0.777  0.911  0.058  1.0
  H  H22  1  0.258  0.515  0.417  1.0
  H  H23  1  0.758  0.485  0.583  1.0
  H  H24  1  0.381  0.602  0.262  1.0
  H  H25  1  0.881  0.398  0.738  1.0
  H  H26  1  0.343  0.318  0.368  1.0
  H  H27  1  0.843  0.682  0.632  1.0
  H  H28  1  0.521  0.433  0.517  1.0
  H  H29  1  0.021  0.567  0.483  1.0
  H  H30  1  0.424  0.596  0.589  1.0
  H  H31  1  0.924  0.404  0.411  1.0
  H  H32  1  0.426  0.872  0.883  1.0
  H  H33  1  0.926  0.128  0.117  1.0
  H  H34  1  0.386  0.011  0.598  1.0
  H  H35  1  0.886  0.989  0.402  1.0
  C  C36  1  0.484  0.111  0.101  1.0
  C  C37  1  0.984  0.889  0.899  1.0
  C  C38  1  0.489  0.287  0.896  1.0
  C  C39  1  0.989  0.713  0.104  1.0
  C  C40  1  0.233  0.433  0.836  1.0
  C  C41  1  0.733  0.567  0.164  1.0
  C  C42  1  0.285  0.236  0.808  1.0
  C  C43  1  0.785  0.764  0.192  1.0
  C  C44  1  0.348  0.469  0.394  1.0
  C  C45  1  0.848  0.531  0.606  1.0
  C  C46  1  0.430  0.448  0.558  1.0
  C  C47  1  0.930  0.552  0.442  1.0
  N  N48  1  0.412  0.251  0.748  1.0
  N  N49  1  0.912  0.749  0.252  1.0
  Cl  Cl50  1  0.604  0.018  0.665  1.0
  Cl  Cl51  1  0.104  0.982  0.335  1.0
[/CIF]
.
The material described by CH3BC5NH14Cl is Indium-derived structured and crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two 02329_fluka molecules and two BC5NH14Cl clusters. In each BC5NH14Cl cluster, B(1) is bonded in a tetrahedral geometry to one N(1), one H(16), one H(17), and one Cl(1) atom. There are five inequivalent C sites. In the first C site, C(1) is bonded in a trigonal non-coplanar geometry to one C(2), one H(1), one H(2), and one H(3) atom. In the second C site, C(2) is bonded in a 4-coordinate geometry to one C(1), one N(1), one H(4), and one H(5) atom. In the third C site, C(4) is bonded in a 3-coordinate geometry to one N(1), one H(10), and one H(9) atom. In the fourth C site, C(5) is bonded in a trigonal non-coplanar geometry to one C(6), one H(11), one H(12), and one H(13) atom. In the fifth C site, C(6) is bonded in a 4-coordinate geometry to one C(5), one N(1), one H(14), and one H(15) atom. N(1) is bonded in a tetrahedral geometry to one B(1), one C(2), one C(4), and one C(6) atom. There are fourteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(2) atom. In the sixth H site, H(9) is bonded in a single-bond geometry to one C(4) atom. In the seventh H site, H(10) is bonded in a single-bond geometry to one C(4) atom. In the eighth H site, H(11) is bonded in a single-bond geometry to one C(5) atom. In the ninth H site, H(12) is bonded in a single-bond geometry to one C(5) atom. In the tenth H site, H(13) is bonded in a single-bond geometry to one C(5) atom. In the eleventh H site, H(14) is bonded in a single-bond geometry to one C(6) atom. In the twelfth H site, H(15) is bonded in a single-bond geometry to one C(6) atom. In the thirteenth H site, H(16) is bonded in a single-bond geometry to one B(1) atom. In the fourteenth H site, H(17) is bonded in a single-bond geometry to one B(1) atom. Cl(1) is bonded in a single-bond geometry to one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BH17C6NCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.438
_cell_length_b   6.643
_cell_length_c   7.526
_cell_angle_alpha   66.357
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   523.871
_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
  B  B0  1  0.444  0.022  0.728  1.0
  B  B1  1  0.944  0.978  0.272  1.0
  H  H2  1  0.515  0.952  0.108  1.0
  H  H3  1  0.015  0.048  0.892  1.0
  H  H4  1  0.542  0.162  0.191  1.0
  H  H5  1  0.042  0.838  0.809  1.0
  H  H6  1  0.396  0.090  0.166  1.0
  H  H7  1  0.896  0.910  0.834  1.0
  H  H8  1  0.465  0.448  0.896  1.0
  H  H9  1  0.965  0.552  0.104  1.0
  H  H10  1  0.578  0.301  0.839  1.0
  H  H11  1  0.078  0.699  0.161  1.0
  H  H12  1  0.235  0.586  0.704  1.0
  H  H13  1  0.735  0.414  0.296  1.0
  H  H14  1  0.141  0.394  0.876  1.0
  H  H15  1  0.641  0.606  0.124  1.0
  H  H16  1  0.275  0.463  0.955  1.0
  H  H17  1  0.775  0.537  0.045  1.0
  H  H18  1  0.236  0.206  0.695  1.0
  H  H19  1  0.736  0.794  0.305  1.0
  H  H20  1  0.277  0.089  0.942  1.0
  H  H21  1  0.777  0.911  0.058  1.0
  H  H22  1  0.258  0.515  0.417  1.0
  H  H23  1  0.758  0.485  0.583  1.0
  H  H24  1  0.381  0.602  0.262  1.0
  H  H25  1  0.881  0.398  0.738  1.0
  H  H26  1  0.343  0.318  0.368  1.0
  H  H27  1  0.843  0.682  0.632  1.0
  H  H28  1  0.521  0.433  0.517  1.0
  H  H29  1  0.021  0.567  0.483  1.0
  H  H30  1  0.424  0.596  0.589  1.0
  H  H31  1  0.924  0.404  0.411  1.0
  H  H32  1  0.426  0.872  0.883  1.0
  H  H33  1  0.926  0.128  0.117  1.0
  H  H34  1  0.386  0.011  0.598  1.0
  H  H35  1  0.886  0.989  0.402  1.0
  C  C36  1  0.484  0.111  0.101  1.0
  C  C37  1  0.984  0.889  0.899  1.0
  C  C38  1  0.489  0.287  0.896  1.0
  C  C39  1  0.989  0.713  0.104  1.0
  C  C40  1  0.233  0.433  0.836  1.0
  C  C41  1  0.733  0.567  0.164  1.0
  C  C42  1  0.285  0.236  0.808  1.0
  C  C43  1  0.785  0.764  0.192  1.0
  C  C44  1  0.348  0.469  0.394  1.0
  C  C45  1  0.848  0.531  0.606  1.0
  C  C46  1  0.430  0.448  0.558  1.0
  C  C47  1  0.930  0.552  0.442  1.0
  N  N48  1  0.412  0.251  0.748  1.0
  N  N49  1  0.912  0.749  0.252  1.0
  Cl  Cl50  1  0.604  0.018  0.665  1.0
  Cl  Cl51  1  0.104  0.982  0.335  1.0
[/CIF]
.