The material structure described by BC5N2H17 is Silicon tetrafluoride-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two BC5N2H17 clusters. B(1) is bonded to one N(1), one H(15), one H(16), and one H(17) atom to form BH3N tetrahedra that share  a cornercorner with one C(1)H2N2 tetrahedra,  a cornercorner with one C(2)H3N tetrahedra, and  a cornercorner with one C(3)H3N tetrahedra. There are four inequivalent C sites. In the first C site, C(1) is bonded to one N(1), one N(2), one H(1), and one H(2) atom to form CH2N2 tetrahedra that share  a cornercorner with one B(1)H3N tetrahedra;  a cornercorner with one C(2)H3N tetrahedra;  a cornercorner with one C(3)H3N tetrahedra; and corners with two equivalent C(4,5)H3N tetrahedra. In the second C site, C(2) is bonded to one N(1), one H(3), one H(4), and one H(5) atom to form CH3N tetrahedra that share  a cornercorner with one B(1)H3N tetrahedra,  a cornercorner with one C(1)H2N2 tetrahedra, and  a cornercorner with one C(3)H3N tetrahedra. In the third C site, C(3) is bonded to one N(1), one H(6), one H(7), and one H(8) atom to form CH3N tetrahedra that share  a cornercorner with one B(1)H3N tetrahedra,  a cornercorner with one C(1)H2N2 tetrahedra, and  a cornercorner with one C(2)H3N tetrahedra. In the fourth C site, C(4,5) is bonded to one N(2), one H(10), one H(11), and one H(9) atom to form CH3N tetrahedra that share  a cornercorner with one C(1)H2N2 tetrahedra and  a cornercorner with one C(4,5)H3N tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a tetrahedral geometry to one B(1), one C(1), one C(2), and one C(3) atom. In the second N site, N(2) is bonded in a trigonal non-coplanar geometry to one C(1) and two equivalent C(4,5) atoms. There are seventeen 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(2) 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(6) is bonded in a single-bond geometry to one C(3) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(3) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(3) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(4,5) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(4,5) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(4,5) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(4,5) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(4,5) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(4,5) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one B(1) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one B(1) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BH17C5N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.482
_cell_length_b   8.169
_cell_length_c   10.429
_cell_angle_alpha   69.457
_cell_angle_beta   77.329
_cell_angle_gamma   73.907
_symmetry_Int_Tables_number   1
_cell_volume   492.296
_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  0.025  0.700  0.233  1.0
  B  B1  1  0.975  0.300  0.767  1.0
  H  H2  1  0.721  0.962  0.105  1.0
  H  H3  1  0.279  0.038  0.895  1.0
  H  H4  1  0.910  0.054  0.146  1.0
  H  H5  1  0.090  0.946  0.854  1.0
  H  H6  1  0.749  0.949  0.460  1.0
  H  H7  1  0.251  0.051  0.540  1.0
  H  H8  1  0.938  0.736  0.491  1.0
  H  H9  1  0.062  0.264  0.509  1.0
  H  H10  1  0.023  0.932  0.372  1.0
  H  H11  1  0.977  0.068  0.628  1.0
  H  H12  1  0.588  0.711  0.274  1.0
  H  H13  1  0.412  0.289  0.726  1.0
  H  H14  1  0.690  0.614  0.437  1.0
  H  H15  1  0.310  0.386  0.563  1.0
  H  H16  1  0.500  0.827  0.402  1.0
  H  H17  1  0.500  0.173  0.598  1.0
  H  H18  1  0.707  0.371  0.111  1.0
  H  H19  1  0.293  0.629  0.889  1.0
  H  H20  1  0.506  0.387  0.257  1.0
  H  H21  1  0.494  0.613  0.743  1.0
  H  H22  1  0.776  0.263  0.282  1.0
  H  H23  1  0.224  0.737  0.718  1.0
  H  H24  1  0.343  0.062  0.162  1.0
  H  H25  1  0.657  0.938  0.838  1.0
  H  H26  1  0.262  0.271  0.197  1.0
  H  H27  1  0.738  0.729  0.803  1.0
  H  H28  1  0.432  0.255  0.041  1.0
  H  H29  1  0.568  0.745  0.959  1.0
  H  H30  1  0.071  0.563  0.329  1.0
  H  H31  1  0.929  0.437  0.671  1.0
  H  H32  1  0.174  0.778  0.189  1.0
  H  H33  1  0.826  0.222  0.811  1.0
  H  H34  1  0.962  0.672  0.142  1.0
  H  H35  1  0.038  0.328  0.858  1.0
  C  C36  1  0.760  0.003  0.185  1.0
  C  C37  1  0.240  0.997  0.815  1.0
  C  C38  1  0.887  0.865  0.414  1.0
  C  C39  1  0.113  0.135  0.586  1.0
  C  C40  1  0.636  0.740  0.357  1.0
  C  C41  1  0.364  0.260  0.643  1.0
  C  C42  1  0.647  0.297  0.218  1.0
  C  C43  1  0.353  0.703  0.782  1.0
  C  C44  1  0.396  0.183  0.152  1.0
  C  C45  1  0.604  0.817  0.848  1.0
  N  N46  1  0.822  0.829  0.299  1.0
  N  N47  1  0.178  0.171  0.701  1.0
  N  N48  1  0.583  0.135  0.226  1.0
  N  N49  1  0.417  0.865  0.774  1.0
[/CIF]
.
The material structure described by BC5N2H17 is Silicon tetrafluoride-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two BC5N2H17 clusters. B(1) is bonded to one N(1), one H(15), one H(16), and one H(17) atom to form BH3N tetrahedra that share  a cornercorner with one C(1)H2N2 tetrahedra,  a cornercorner with one C(2)H3N tetrahedra, and  a cornercorner with one C(3)H3N tetrahedra. There are four inequivalent C sites. In the first C site, C(1) is bonded to one N(1), one N(2), one H(1), and one H(2) atom to form CH2N2 tetrahedra that share  a cornercorner with one B(1)H3N tetrahedra;  a cornercorner with one C(2)H3N tetrahedra;  a cornercorner with one C(3)H3N tetrahedra; and corners with two equivalent C(4,5)H3N tetrahedra. In the second C site, C(2) is bonded to one N(1), one H(3), one H(4), and one H(5) atom to form CH3N tetrahedra that share  a cornercorner with one B(1)H3N tetrahedra,  a cornercorner with one C(1)H2N2 tetrahedra, and  a cornercorner with one C(3)H3N tetrahedra. In the third C site, C(3) is bonded to one N(1), one H(6), one H(7), and one H(8) atom to form CH3N tetrahedra that share  a cornercorner with one B(1)H3N tetrahedra,  a cornercorner with one C(1)H2N2 tetrahedra, and  a cornercorner with one C(2)H3N tetrahedra. In the fourth C site, C(4,5) is bonded to one N(2), one H(10), one H(11), and one H(9) atom to form CH3N tetrahedra that share  a cornercorner with one C(1)H2N2 tetrahedra and  a cornercorner with one C(4,5)H3N tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a tetrahedral geometry to one B(1), one C(1), one C(2), and one C(3) atom. In the second N site, N(2) is bonded in a trigonal non-coplanar geometry to one C(1) and two equivalent C(4,5) atoms. There are seventeen 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(2) 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(6) is bonded in a single-bond geometry to one C(3) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(3) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(3) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(4,5) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(4,5) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(4,5) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(4,5) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(4,5) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(4,5) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one B(1) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one B(1) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BH17C5N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.482
_cell_length_b   8.169
_cell_length_c   10.429
_cell_angle_alpha   69.457
_cell_angle_beta   77.329
_cell_angle_gamma   73.907
_symmetry_Int_Tables_number   1
_cell_volume   492.296
_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  0.025  0.700  0.233  1.0
  B  B1  1  0.975  0.300  0.767  1.0
  H  H2  1  0.721  0.962  0.105  1.0
  H  H3  1  0.279  0.038  0.895  1.0
  H  H4  1  0.910  0.054  0.146  1.0
  H  H5  1  0.090  0.946  0.854  1.0
  H  H6  1  0.749  0.949  0.460  1.0
  H  H7  1  0.251  0.051  0.540  1.0
  H  H8  1  0.938  0.736  0.491  1.0
  H  H9  1  0.062  0.264  0.509  1.0
  H  H10  1  0.023  0.932  0.372  1.0
  H  H11  1  0.977  0.068  0.628  1.0
  H  H12  1  0.588  0.711  0.274  1.0
  H  H13  1  0.412  0.289  0.726  1.0
  H  H14  1  0.690  0.614  0.437  1.0
  H  H15  1  0.310  0.386  0.563  1.0
  H  H16  1  0.500  0.827  0.402  1.0
  H  H17  1  0.500  0.173  0.598  1.0
  H  H18  1  0.707  0.371  0.111  1.0
  H  H19  1  0.293  0.629  0.889  1.0
  H  H20  1  0.506  0.387  0.257  1.0
  H  H21  1  0.494  0.613  0.743  1.0
  H  H22  1  0.776  0.263  0.282  1.0
  H  H23  1  0.224  0.737  0.718  1.0
  H  H24  1  0.343  0.062  0.162  1.0
  H  H25  1  0.657  0.938  0.838  1.0
  H  H26  1  0.262  0.271  0.197  1.0
  H  H27  1  0.738  0.729  0.803  1.0
  H  H28  1  0.432  0.255  0.041  1.0
  H  H29  1  0.568  0.745  0.959  1.0
  H  H30  1  0.071  0.563  0.329  1.0
  H  H31  1  0.929  0.437  0.671  1.0
  H  H32  1  0.174  0.778  0.189  1.0
  H  H33  1  0.826  0.222  0.811  1.0
  H  H34  1  0.962  0.672  0.142  1.0
  H  H35  1  0.038  0.328  0.858  1.0
  C  C36  1  0.760  0.003  0.185  1.0
  C  C37  1  0.240  0.997  0.815  1.0
  C  C38  1  0.887  0.865  0.414  1.0
  C  C39  1  0.113  0.135  0.586  1.0
  C  C40  1  0.636  0.740  0.357  1.0
  C  C41  1  0.364  0.260  0.643  1.0
  C  C42  1  0.647  0.297  0.218  1.0
  C  C43  1  0.353  0.703  0.782  1.0
  C  C44  1  0.396  0.183  0.152  1.0
  C  C45  1  0.604  0.817  0.848  1.0
  N  N46  1  0.822  0.829  0.299  1.0
  N  N47  1  0.178  0.171  0.701  1.0
  N  N48  1  0.583  0.135  0.226  1.0
  N  N49  1  0.417  0.865  0.774  1.0
[/CIF]
.