data_CuH28C22(NO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.09
_cell_length_b   8.65
_cell_length_c   9.44
_cell_angle_alpha   94.71
_cell_angle_beta   96.72
_cell_angle_gamma   95.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuH28C22(NO2)2
_chemical_formula_sum   'Cu1 H28 C22 N2 O4'
_cell_volume   570.19
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  H  H1  1  0.68  0.84  0.14  1.0
  H  H2  1  0.52  0.9  0.19  1.0
  H  H3  1  0.95  0.57  0.43  1.0
  H  H4  1  0.26  0.17  0.9  1.0
  H  H5  1  0.5  0.16  0.84  1.0
  H  H6  1  0.7  0.58  0.49  1.0
  H  H7  1  0.02  0.29  0.65  1.0
  H  H8  1  0.18  0.45  0.68  1.0
  H  H9  1  0.88  0.64  0.33  1.0
  H  H10  1  0.32  0.1  0.0  1.0
  H  H11  1  0.2  0.96  0.78  1.0
  H  H12  1  1.0  0.78  0.55  1.0
  H  H13  1  0.17  0.44  0.88  1.0
  H  H14  1  0.03  0.3  0.45  1.0
  H  H15  1  0.35  0.08  0.07  1.0
  H  H16  1  0.85  0.66  0.26  1.0
  H  H17  1  0.44  0.17  0.15  1.0
  H  H18  1  0.76  0.57  0.18  1.0
  H  H19  1  0.03  0.03  0.69  1.0
  H  H20  1  0.17  0.71  0.64  1.0
  H  H21  1  0.06  0.04  0.62  1.0
  H  H22  1  0.14  0.7  0.71  1.0
  H  H23  1  0.83  0.05  0.09  1.0
  H  H24  1  0.37  0.68  0.24  1.0
  H  H25  1  0.89  0.77  0.28  1.0
  H  H26  1  0.32  0.97  0.05  1.0
  H  H27  1  0.48  0.93  0.58  1.0
  H  H28  1  0.72  0.81  0.75  1.0
  C  C29  1  0.62  0.51  0.57  1.0
  C  C30  1  0.58  0.23  0.76  1.0
  C  C31  1  0.93  0.04  0.2  1.0
  C  C32  1  0.27  0.7  0.13  1.0
  C  C33  1  0.74  0.49  0.68  1.0
  C  C34  1  0.46  0.25  0.65  1.0
  C  C35  1  0.08  0.97  0.18  1.0
  C  C36  1  0.13  0.77  0.15  1.0
  C  C37  1  0.24  0.12  0.4  1.0
  C  C38  1  0.96  0.62  0.93  1.0
  C  C39  1  0.59  0.62  0.61  1.0
  C  C40  1  0.61  0.12  0.71  1.0
  C  C41  1  0.5  0.72  0.67  1.0
  C  C42  1  0.7  0.02  0.66  1.0
  C  C43  1  0.99  0.41  0.53  1.0
  C  C44  1  0.21  0.33  0.8  1.0
  C  C45  1  0.44  0.06  0.28  1.0
  C  C46  1  0.76  0.68  0.05  1.0
  C  C47  1  0.48  0.0  0.27  1.0
  C  C48  1  0.72  0.74  0.06  1.0
  C  C49  1  0.93  0.51  0.67  1.0
  C  C50  1  0.28  0.23  0.66  1.0
  N  N51  1  0.13  0.26  0.43  1.0
  N  N52  1  0.08  0.47  0.9  1.0
  O  O53  1  0.76  0.55  0.73  1.0
  O  O54  1  0.44  0.19  0.6  1.0
  O  O55  1  0.5  0.98  0.9  1.0
  O  O56  1  0.7  0.76  0.43  1.0

data_CuH28C22(NO2)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.09
_cell_length_b   8.65
_cell_length_c   9.44
_cell_angle_alpha   94.71
_cell_angle_beta   96.72
_cell_angle_gamma   95.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuH28C22(NO2)2
_chemical_formula_sum   'Cu1 H28 C22 N2 O4'
_cell_volume   570.19
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  H  H1  1  0.02  0.29  0.65  1.0
  H  H2  1  0.03  0.3  0.45  1.0
  H  H3  1  0.03  0.03  0.69  1.0
  H  H4  1  0.06  0.04  0.62  1.0
  H  H5  1  0.14  0.7  0.71  1.0
  H  H6  1  0.17  0.71  0.64  1.0
  H  H7  1  0.17  0.44  0.88  1.0
  H  H8  1  0.18  0.45  0.68  1.0
  H  H9  1  0.2  0.96  0.78  1.0
  H  H10  1  0.26  0.17  0.9  1.0
  H  H11  1  0.32  0.97  0.05  1.0
  H  H12  1  0.32  0.1  0.0  1.0
  H  H13  1  0.35  0.08  0.07  1.0
  H  H14  1  0.37  0.68  0.24  1.0
  H  H15  1  0.44  0.17  0.15  1.0
  H  H16  1  0.48  0.93  0.58  1.0
  H  H17  1  0.5  0.16  0.84  1.0
  H  H18  1  0.52  0.9  0.19  1.0
  H  H19  1  0.68  0.84  0.14  1.0
  H  H20  1  0.7  0.58  0.49  1.0
  H  H21  1  0.72  0.81  0.75  1.0
  H  H22  1  0.76  0.57  0.18  1.0
  H  H23  1  0.83  0.05  0.09  1.0
  H  H24  1  0.85  0.66  0.26  1.0
  H  H25  1  0.88  0.64  0.33  1.0
  H  H26  1  0.89  0.77  0.28  1.0
  H  H27  1  0.95  0.57  0.43  1.0
  H  H28  1  1.0  0.78  0.55  1.0
  C  C29  1  0.08  0.97  0.18  1.0
  C  C30  1  0.13  0.77  0.15  1.0
  C  C31  1  0.21  0.33  0.8  1.0
  C  C32  1  0.24  0.12  0.4  1.0
  C  C33  1  0.27  0.7  0.13  1.0
  C  C34  1  0.28  0.23  0.66  1.0
  C  C35  1  0.44  0.06  0.28  1.0
  C  C36  1  0.46  0.25  0.65  1.0
  C  C37  1  0.48  0.0  0.27  1.0
  C  C38  1  0.5  0.72  0.67  1.0
  C  C39  1  0.58  0.23  0.76  1.0
  C  C40  1  0.59  0.62  0.61  1.0
  C  C41  1  0.61  0.12  0.71  1.0
  C  C42  1  0.62  0.51  0.57  1.0
  C  C43  1  0.7  0.02  0.66  1.0
  C  C44  1  0.72  0.74  0.06  1.0
  C  C45  1  0.74  0.49  0.68  1.0
  C  C46  1  0.76  0.68  0.05  1.0
  C  C47  1  0.93  0.51  0.67  1.0
  C  C48  1  0.93  0.04  0.2  1.0
  C  C49  1  0.96  0.62  0.93  1.0
  C  C50  1  0.99  0.41  0.53  1.0
  N  N51  1  0.08  0.47  0.9  1.0
  N  N52  1  0.13  0.26  0.43  1.0
  O  O53  1  0.44  0.19  0.6  1.0
  O  O54  1  0.5  0.98  0.9  1.0
  O  O55  1  0.7  0.76  0.43  1.0
  O  O56  1  0.76  0.55  0.73  1.0

Cu 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 C C C C C C C C C C C C C C N N O O O O
Cu 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 C C C C C C C C C C C C C C N N O O O O 0 31 - o o 0 23 - o o 0 35 o - o 1 2 o o o 1 48 o o o 2 47 o + o 3 9 o o o 4 10 o o + 5 30 o o o 5 55 o - o 6 29 o o o 6 56 o o o 7 43 - o o 7 49 - o o 7 50 o o o 7 14 o o o 7 8 o o o 7 44 o o o 8 43 - o o 8 13 o o o 8 49 - o o 8 50 o o o 8 44 o o o 9 16 o o o 9 56 o o o 10 15 o o o 10 55 o - - 11 19 o + o 12 20 + o o 13 52 o o o 13 44 o o o 14 51 o o o 14 43 - o o 15 17 o o o 15 26 o - o 16 18 o o o 16 25 o o o 19 21 o o o 20 22 o o o 23 31 o o o 24 32 o o o 27 41 o o o 27 42 o + o 27 40 o + o 28 41 o o o 28 39 o o o 28 42 o + o 29 39 o o o 30 40 o o o 31 35 + - o 32 36 o o o 33 53 o o o 33 49 o o o 34 54 o o o 34 50 o o o 37 51 o o o 38 52 + o o 39 41 o o o 40 42 o o o 45 47 o o o 46 48 o o o 49 53 o o o 50 54 o o o 
Cu(C2H)2(C9NH10O2)2(H2)3 is Indium-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of four 1333-74-0 atoms, one 2-butyl copper molecule, and two C9NH10O2 clusters. In each C9NH10O2 cluster, there are nine inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal non-coplanar geometry to one C(11), one C(5), and one H(6) atom. The C(1)-C(11) bond length is 1.01 Å. The C(1)-C(5) bond length is 1.34 Å. The C(1)-H(6) bond length is 1.16 Å. In the second C site, C(5) is bonded in a single-bond geometry to one C(1), one C(21), and one O(1) atom. The C(5)-C(21) bond length is 1.29 Å. The C(5)-O(1) bond length is 0.66 Å. In the third C site, C(9) is bonded in a single-bond geometry to one N(1,2) atom. The C(9)-N(1,2) bond length is 1.55 Å. In the fourth C site, C(11) is bonded in a distorted rectangular see-saw-like geometry to one C(1), one C(13), one H(6), and one O(1) atom. The C(11)-C(13) bond length is 1.28 Å. The C(11)-H(6) bond length is 1.53 Å. The C(11)-O(1) bond length is 1.73 Å. In the fifth C site, C(13) is bonded in an L-shaped geometry to one C(11) and one H(28) atom. The C(13)-H(28) bond length is 1.71 Å. In the sixth C site, C(15) is bonded in a 1-coordinate geometry to one C(21), one H(14), one H(3), and one H(7) atom. The C(15)-C(21) bond length is 1.64 Å. The C(15)-H(14) bond length is 1.27 Å. The C(15)-H(3) bond length is 1.78 Å. The C(15)-H(7) bond length is 1.63 Å. In the seventh C site, C(17,18) is bonded in a 2-coordinate geometry to one C(19) and one H(17) atom. The C(17,18)-C(19) bond length is 0.59 Å. The C(17,18)-H(17) bond length is 1.60 Å. In the eighth C site, C(20) is bonded in a bent 150 degrees geometry to one C(17,18) and one H(1,2) atom. The C(20)-C(17,18) bond length is 0.59 Å. The C(20)-H(1,2) bond length is 1.18 Å. In the ninth C site, C(21) is bonded in a 3-coordinate geometry to one C(15), one C(5), and one O(1) atom. The C(21)-O(1) bond length is 1.38 Å. N(1,2) is bonded in a distorted bent 150 degrees geometry to one C(9) and one H(14) atom. The N(1,2)-H(14) bond length is 0.79 Å. There are ten inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one C(20) atom. In the second H site, H(3) is bonded in a distorted bent 150 degrees geometry to one C(15) and one H(9) atom. The H(3)-H(9) bond length is 1.23 Å. In the third H site, H(6) is bonded in a 3-coordinate geometry to one C(1), one C(11), and one O(4) atom. The H(6)-O(4) bond length is 1.62 Å. In the fourth H site, H(7) is bonded in a distorted single-bond geometry to one C(15) atom. In the fifth H site, H(9) is bonded in a distorted single-bond geometry to one H(16) and one H(3) atom. The H(9)-H(16) bond length is 0.69 Å. In the sixth H site, H(14) is bonded in a distorted bent 120 degrees geometry to one C(15) and one N(1,2) atom. In the seventh H site, H(16) is bonded in a 3-coordinate geometry to one H(18), one H(25), and one H(9) atom. The H(16)-H(18) bond length is 1.16 Å. The H(16)-H(25) bond length is 0.99 Å. In the eighth H site, H(18) is bonded in an L-shaped geometry to one C(17,18) and one H(16) atom. The H(18)-C(17,18) bond length is 1.60 Å. In the ninth H site, H(25) is bonded in a single-bond geometry to one H(16) atom. In the tenth H site, H(28) is bonded in a single-bond geometry to one C(13) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(11), one C(21), and one C(5) atom. In the second O site, O(4) is bonded in a single-bond geometry to one H(6) atom.