data_VH14C4NO2F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76
_cell_length_b   7.8
_cell_length_c   8.71
_cell_angle_alpha   65.47
_cell_angle_beta   82.49
_cell_angle_gamma   72.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VH14C4NO2F3
_chemical_formula_sum   'V2 H28 C8 N2 O4 F6'
_cell_volume   398.35
_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
  V  V48  1  0.68  0.56  0.07  1.0
  V  V49  1  0.56  0.31  0.85  1.0
  H  H14  1  0.04  0.67  0.35  1.0
  H  H15  1  0.74  0.32  0.51  1.0
  H  H16  1  0.76  0.88  0.82  1.0
  H  H17  1  0.24  0.6  0.98  1.0
  H  H18  1  0.67  0.6  0.4  1.0
  H  H19  1  0.04  0.4  0.89  1.0
  H  H20  1  0.84  0.0  0.09  1.0
  H  H21  1  0.49  0.39  0.28  1.0
  H  H22  1  0.24  0.44  0.71  1.0
  H  H23  1  0.38  0.1  0.78  1.0
  H  H24  1  0.34  0.59  0.97  1.0
  H  H25  1  0.5  0.97  0.52  1.0
  H  H26  1  0.16  0.83  0.74  1.0
  H  H27  1  0.0  0.96  0.91  1.0
  H  H28  1  0.24  0.92  0.02  1.0
  H  H29  1  0.08  0.04  0.18  1.0
  H  H30  1  0.74  0.9  0.4  1.0
  H  H31  1  0.9  0.28  0.95  1.0
  H  H32  1  0.86  0.77  0.15  1.0
  H  H33  1  0.0  0.43  0.22  1.0
  H  H34  1  0.75  0.48  0.65  1.0
  H  H35  1  0.4  0.87  0.83  1.0
  H  H36  1  0.2  0.47  0.04  1.0
  H  H37  1  0.57  0.27  0.52  1.0
  H  H38  1  0.0  0.28  0.94  1.0
  H  H39  1  0.48  0.99  0.11  1.0
  H  H40  1  0.5  0.55  0.42  1.0
  H  H41  1  0.2  0.2  0.58  1.0
  C  C0  1  0.75  0.3  0.89  1.0
  C  C1  1  0.77  0.98  0.46  1.0
  C  C2  1  0.26  0.92  0.84  1.0
  C  C3  1  0.37  0.07  0.13  1.0
  C  C4  1  0.87  0.8  0.8  1.0
  C  C5  1  0.98  0.95  0.08  1.0
  C  C6  1  0.47  0.89  0.46  1.0
  C  C7  1  0.49  0.57  0.04  1.0
  N  N42  1  0.35  0.32  0.33  1.0
  N  N43  1  0.89  0.55  0.6  1.0
  O  O44  1  0.31  0.32  0.69  1.0
  O  O45  1  0.4  0.94  0.93  1.0
  O  O46  1  0.84  0.93  1.0  1.0
  O  O47  1  0.93  0.55  0.24  1.0
  F  F8  1  0.57  0.13  0.14  1.0
  F  F9  1  0.54  0.89  0.61  1.0
  F  F10  1  0.42  0.04  0.33  1.0
  F  F11  1  0.82  0.83  0.6  1.0
  F  F12  1  0.7  0.98  0.32  1.0
  F  F13  1  0.67  0.74  0.78  1.0

data_VH14C4NO2F3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.76
_cell_length_b   7.8
_cell_length_c   8.71
_cell_angle_alpha   65.47
_cell_angle_beta   82.49
_cell_angle_gamma   72.51
_symmetry_Int_Tables_number   2
_chemical_formula_structural   VH14C4NO2F3
_chemical_formula_sum   'V2 H28 C8 N2 O4 F6'
_cell_volume   398.35
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  V  V0  2  0.44  0.87  0.39  1.0
  H  H1  2  0.04  0.39  0.28  1.0
  H  H2  2  0.08  0.03  0.58  1.0
  H  H3  2  0.08  0.77  0.12  1.0
  H  H4  2  0.12  0.01  0.24  1.0
  H  H5  2  0.12  0.48  0.56  1.0
  H  H6  2  0.12  0.16  0.52  1.0
  H  H7  2  0.22  0.16  0.51  1.0
  H  H8  2  0.26  0.67  0.31  1.0
  H  H9  2  0.28  0.43  0.37  1.0
  H  H10  2  0.36  0.55  0.64  1.0
  H  H11  2  0.37  0.96  0.82  1.0
  H  H12  2  0.38  0.53  0.06  1.0
  H  H13  2  0.38  0.11  0.95  1.0
  H  H14  2  0.45  0.83  0.06  1.0
  C  C15  2  0.14  0.49  0.38  1.0
  C  C16  2  0.25  0.64  0.67  1.0
  C  C17  2  0.35  0.46  0.0  1.0
  C  C18  2  0.37  0.14  0.58  1.0
  N  N19  2  0.23  0.89  0.87  1.0
  O  O20  2  0.19  0.88  0.22  1.0
  O  O21  2  0.28  0.5  0.46  1.0
  F  F22  2  0.3  0.61  0.87  1.0
  F  F23  2  0.42  0.46  0.14  1.0
  F  F24  2  0.45  0.69  0.68  1.0

V V H H H H H H H H H H H H H H H H H H H H H H H H H H H H C C C C C C C C N N O O O O F F F F F F
(VCH3)2(NH)2(CH5O2)2(H2)3(CF3CH2)2 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 1333-74-0 atoms, two ammonia molecules, two molecular hydrogen molecules, two CF3CH2 clusters, two CH5O2 clusters, and two VCH3 clusters. In each CF3CH2 cluster, there are two inequivalent C sites. In the first C site, C(4) is bonded in a 3-coordinate geometry to one H(3), one F(1), and one F(3) atom. The C(4)-H(3) bond length is 0.91 Å. The C(4)-F(1) bond length is 1.59 Å. The C(4)-F(3) bond length is 1.72 Å. In the second C site, C(2) is bonded in a distorted L-shaped geometry to one H(12) and one F(3) atom. The C(2)-H(12) bond length is 1.01 Å. The C(2)-F(3) bond length is 1.27 Å. There are two inequivalent H sites. In the first H site, H(3) is bonded in a 2-coordinate geometry to one C(4) and one F(1) atom. The H(3)-F(1) bond length is 1.55 Å. In the second H site, H(12) is bonded in a distorted water-like geometry to one C(2) and one F(2) atom. The H(12)-F(2) bond length is 0.76 Å. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to one C(4) and one H(3) atom. In the second F site, F(2) is bonded in a single-bond geometry to one H(12) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one C(2) and one C(4) atom. In each CH5O2 cluster, C(3) is bonded in a distorted single-bond geometry to one H(13), one H(7), and one O(2) atom. The C(3)-H(13) bond length is 1.63 Å. The C(3)-H(7) bond length is 0.89 Å. The C(3)-O(2) bond length is 1.34 Å. There are five inequivalent H sites. In the first H site, H(7) is bonded in an L-shaped geometry to one C(3) and one O(2) atom. The H(7)-O(2) bond length is 1.17 Å. In the second H site, H(10) is bonded in a bent 150 degrees geometry to one O(1) and one O(2) atom. The H(10)-O(1) bond length is 1.46 Å. The H(10)-O(2) bond length is 1.39 Å. In the third H site, H(9) is bonded in a single-bond geometry to one O(1) atom. The H(9)-O(1) bond length is 1.03 Å. In the fourth H site, H(13) is bonded in a single-bond geometry to one C(3) atom. In the fifth H site, H(14) is bonded in a distorted single-bond geometry to one O(2) atom. The H(14)-O(2) bond length is 1.30 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one H(10) and one H(9) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one C(3), one H(10), one H(14), and one H(7) atom. In each VCH3 cluster, V(1) is bonded in a distorted single-bond geometry to one C(1) atom. The V(1)-C(1) bond length is 1.34 Å. C(1) is bonded in a linear geometry to one V(1) and one H(11) atom. The C(1)-H(11) bond length is 1.16 Å. There are three inequivalent H sites. In the first H site, H(4) is bonded in a bent 120 degrees geometry to one H(11) and one H(6) atom. The H(4)-H(11) bond length is 0.66 Å. The H(4)-H(6) bond length is 1.00 Å. In the second H site, H(6) is bonded in a single-bond geometry to one H(4) atom. In the third H site, H(11) is bonded in a bent 150 degrees geometry to one C(1) and one H(4) atom.