data_CuH12C10N2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.09
_cell_length_b   8.0
_cell_length_c   9.65
_cell_angle_alpha   90.0
_cell_angle_beta   113.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuH12C10N2O5
_chemical_formula_sum   'Cu2 H24 C20 N4 O10'
_cell_volume   574.23
_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
  Cu  Cu0  1  0.67  0.18  0.13  1.0
  Cu  Cu1  1  0.62  0.18  0.74  1.0
  H  H2  1  0.71  0.63  0.36  1.0
  H  H3  1  0.59  0.64  0.51  1.0
  H  H4  1  0.95  0.86  0.3  1.0
  H  H5  1  0.35  0.86  0.57  1.0
  H  H6  1  0.86  0.08  0.28  1.0
  H  H7  1  0.43  0.08  0.59  1.0
  H  H8  1  0.75  0.86  0.31  1.0
  H  H9  1  0.54  0.85  0.56  1.0
  H  H10  1  0.57  0.56  0.72  1.0
  H  H11  1  0.73  0.56  0.15  1.0
  H  H12  1  0.48  0.18  0.46  1.0
  H  H13  1  0.81  0.18  0.41  1.0
  H  H14  1  0.68  0.73  0.48  1.0
  H  H15  1  0.61  0.72  0.39  1.0
  H  H16  1  0.91  0.01  0.67  1.0
  H  H17  1  0.38  0.01  0.2  1.0
  H  H18  1  0.01  0.18  0.06  1.0
  H  H19  1  0.28  0.18  0.8  1.0
  H  H20  1  0.82  0.12  0.5  1.0
  H  H21  1  0.47  0.12  0.36  1.0
  H  H22  1  0.92  0.88  0.49  1.0
  H  H23  1  0.38  0.88  0.38  1.0
  H  H24  1  0.56  0.96  0.49  1.0
  H  H25  1  0.73  0.96  0.38  1.0
  C  C26  1  0.44  0.07  0.48  1.0
  C  C27  1  0.85  0.07  0.39  1.0
  C  C28  1  0.52  0.51  0.31  1.0
  C  C29  1  0.77  0.51  0.56  1.0
  C  C30  1  0.27  0.57  0.1  1.0
  C  C31  1  0.02  0.57  0.77  1.0
  C  C32  1  0.83  0.92  0.79  1.0
  C  C33  1  0.46  0.92  0.08  1.0
  C  C34  1  0.27  0.63  0.94  1.0
  C  C35  1  0.02  0.64  0.93  1.0
  C  C36  1  0.93  0.57  0.61  1.0
  C  C37  1  0.36  0.57  0.26  1.0
  C  C38  1  0.95  0.07  0.43  1.0
  C  C39  1  0.34  0.07  0.44  1.0
  C  C40  1  0.13  0.5  0.84  1.0
  C  C41  1  0.16  0.5  0.03  1.0
  C  C42  1  0.03  0.7  0.89  1.0
  C  C43  1  0.26  0.7  0.98  1.0
  C  C44  1  0.9  0.86  0.74  1.0
  C  C45  1  0.39  0.86  0.12  1.0
  N  N46  1  0.98  0.29  0.54  1.0
  N  N47  1  0.31  0.29  0.32  1.0
  N  N48  1  0.57  0.2  0.74  1.0
  N  N49  1  0.73  0.2  0.13  1.0
  O  O50  1  0.48  0.07  0.15  1.0
  O  O51  1  0.82  0.06  0.72  1.0
  O  O52  1  0.38  0.19  0.59  1.0
  O  O53  1  0.91  0.19  0.28  1.0
  O  O54  1  0.99  0.2  0.02  1.0
  O  O55  1  0.3  0.2  0.85  1.0
  O  O56  1  0.75  0.98  0.71  1.0
  O  O57  1  0.55  0.98  0.16  1.0
  O  O58  1  0.65  0.34  0.91  1.0
  O  O59  1  0.65  0.34  0.96  1.0

data_CuH12C10N2O5
_symmetry_space_group_name_H-M   P2
_cell_length_a   8.09
_cell_length_b   8.0
_cell_length_c   9.65
_cell_angle_alpha   90.0
_cell_angle_beta   113.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   CuH12C10N2O5
_chemical_formula_sum   'Cu2 H24 C20 N4 O10'
_cell_volume   574.23
_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
  Cu  Cu0  2  0.48  0.18  0.31  1.0
  H  H1  2  0.13  0.18  0.37  1.0
  H  H2  2  0.2  0.86  0.13  1.0
  H  H3  2  0.23  0.88  0.95  1.0
  H  H4  2  0.23  0.01  0.77  1.0
  H  H5  2  0.29  0.08  0.16  1.0
  H  H6  2  0.33  0.12  0.93  1.0
  H  H7  2  0.33  0.18  0.03  1.0
  H  H8  2  0.4  0.86  0.12  1.0
  H  H9  2  0.42  0.96  0.05  1.0
  H  H10  2  0.42  0.56  0.28  1.0
  H  H11  2  0.44  0.63  0.08  1.0
  H  H12  2  0.47  0.73  0.96  1.0
  C  C13  2  0.02  0.5  0.59  1.0
  C  C14  2  0.11  0.7  0.54  1.0
  C  C15  2  0.12  0.57  0.67  1.0
  C  C16  2  0.13  0.63  0.51  1.0
  C  C17  2  0.19  0.07  0.01  1.0
  C  C18  2  0.22  0.57  0.82  1.0
  C  C19  2  0.25  0.86  0.69  1.0
  C  C20  2  0.29  0.07  0.05  1.0
  C  C21  2  0.32  0.92  0.65  1.0
  C  C22  2  0.38  0.51  0.87  1.0
  N  N23  2  0.16  0.29  0.89  1.0
  N  N24  2  0.42  0.2  0.3  1.0
  O  O25  2  0.15  0.2  0.41  1.0
  O  O26  2  0.24  0.19  0.16  1.0
  O  O27  2  0.33  0.07  0.71  1.0
  O  O28  2  0.4  0.98  0.73  1.0
  O  O29  2  0.5  0.34  0.48  1.0

Cu 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 C C C C C C C C C C C C C C C C C C C C N N N N O O O O O O O O O O
Cu 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 C C C C C C C C C C C C C C C C C C C C N N N N O O O O O O O O O O 0 49 o o o 1 48 o o o 2 15 o o o 2 11 o o o 3 14 o o o 3 10 o o o 4 8 o o o 4 6 o + o 4 22 o o o 4 38 o + o 5 39 o + o 5 9 o o o 5 7 o + o 5 23 o o o 6 27 o o o 6 53 o o o 7 52 o o o 7 26 o o o 8 25 o o o 8 11 o o o 8 22 o o o 9 24 o o o 9 10 o o o 9 23 o o o 10 29 o o o 10 59 o o o 10 58 o o o 11 59 o o - 11 58 o o - 11 28 o o o 12 21 o o o 12 26 o o o 12 47 o o o 13 27 o o o 13 20 o o o 13 46 o o o 14 15 o o o 16 51 o o o 17 50 o o o 18 54 - o o 19 55 o o o 20 46 o o o 21 47 o o o 22 27 o + o 22 25 o o o 22 38 o + o 23 39 o + o 23 26 o + o 23 24 o o o 24 26 o + o 25 27 o + o 26 39 o o o 27 38 o o o 28 37 o o o 29 36 o o o 30 41 o o o 30 37 o o o 31 40 o o o 31 36 - o o 32 56 o o o 32 44 o o o 33 45 o o o 33 57 o o o 34 43 o o o 35 42 o o o 38 46 o o o 39 47 o o o 50 57 o - o 51 56 o - o 58 59 o o o 
(CuC2NHO3)2(C3H)4(C2NH6O)2(H2)2H2O2 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, two hydrogen hydrate molecules, two C2NH6O clusters, one C3H cluster, and one CuC2NHO3 cluster. In each C2NH6O cluster, there are two inequivalent C sites. In the first C site, C(13) is bonded in a single-bond geometry to one C(2) and one H(21) atom. The C(13)-C(2) bond length is 0.74 Å. The C(13)-H(21) bond length is 1.65 Å. In the second C site, C(2) is bonded in a 5-coordinate geometry to one C(13), one H(12), one H(19), one H(24), and one H(5) atom. The C(2)-H(12) bond length is 1.00 Å. The C(2)-H(19) bond length is 1.32 Å. The C(2)-H(24) bond length is 1.30 Å. The C(2)-H(5) bond length is 1.10 Å. N(1) is bonded in a 1-coordinate geometry to one H(12) atom. The N(1)-H(12) bond length is 1.70 Å. There are six inequivalent H sites. In the first H site, H(5) is bonded in a distorted water-like geometry to one C(2) and one O(4) atom. The H(5)-O(4) bond length is 1.01 Å. In the second H site, H(7) is bonded in a single-bond geometry to one H(24) atom. The H(7)-H(24) bond length is 1.12 Å. In the third H site, H(12) is bonded in a distorted single-bond geometry to one C(2), one N(1), and one H(19) atom. The H(12)-H(19) bond length is 1.04 Å. In the fourth H site, H(19) is bonded in a 2-coordinate geometry to one C(2) and one H(12) atom. In the fifth H site, H(21) is bonded in a distorted single-bond geometry to one C(13) atom. In the sixth H site, H(24) is bonded in a water-like geometry to one C(2) and one H(7) atom. O(4) is bonded in a single-bond geometry to one H(5) atom. In the C3H cluster, there are twelve inequivalent C sites. In the first C site, C(9) is bonded in a distorted single-bond geometry to one C(18) atom. The C(9)-C(18) bond length is 0.64 Å. In the second C site, C(11) is bonded in a bent 120 degrees geometry to one C(4) and one C(6) atom. The C(11)-C(4) bond length is 1.25 Å. The C(11)-C(6) bond length is 1.39 Å. In the third C site, C(12) is bonded in a bent 120 degrees geometry to one C(3) and one C(5) atom. The C(12)-C(3) bond length is 1.25 Å. The C(12)-C(5) bond length is 1.39 Å. In the fourth C site, C(10) is bonded in a distorted single-bond geometry to one C(17) atom. The C(10)-C(17) bond length is 0.63 Å. In the fifth C site, C(15) is bonded in a 1-coordinate geometry to one C(6) atom. The C(15)-C(6) bond length is 1.02 Å. In the sixth C site, C(16) is bonded in a 1-coordinate geometry to one C(5) atom. The C(16)-C(5) bond length is 1.03 Å. In the seventh C site, C(17) is bonded in a distorted single-bond geometry to one C(10) and one C(6) atom. The C(17)-C(6) bond length is 1.52 Å. In the eighth C site, C(18) is bonded in a distorted single-bond geometry to one C(5) and one C(9) atom. The C(18)-C(5) bond length is 1.52 Å. In the ninth C site, C(3) is bonded in a bent 120 degrees geometry to one C(12) and one H(1) atom. The C(3)-H(1) bond length is 1.67 Å. In the tenth C site, C(4) is bonded in a bent 120 degrees geometry to one C(11) and one H(2) atom. The C(4)-H(2) bond length is 1.68 Å. In the eleventh C site, C(5) is bonded in a 3-coordinate geometry to one C(12), one C(16), and one C(18) atom. In the twelfth C site, C(6) is bonded in a 3-coordinate geometry to one C(11), one C(15), and one C(17) atom. There are four inequivalent H sites. In the first H site, H(2) is bonded in a distorted L-shaped geometry to one C(4) and one H(13) atom. The H(2)-H(13) bond length is 1.17 Å. In the second H site, H(1) is bonded in a distorted L-shaped geometry to one C(3) and one H(14) atom. The H(1)-H(14) bond length is 1.17 Å. In the third H site, H(13) is bonded in a distorted L-shaped geometry to one H(14) and one H(2) atom. The H(13)-H(14) bond length is 0.76 Å. In the fourth H site, H(14) is bonded in a distorted L-shaped geometry to one H(1) and one H(13) atom. In the CuC2NHO3 cluster, there are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a single-bond geometry to one N(4), one O(1), and one O(10) atom. The Cu(1)-N(4) bond length is 0.48 Å. The Cu(1)-O(1) bond length is 1.87 Å. The Cu(1)-O(10) bond length is 2.08 Å. In the second Cu site, Cu(2) is bonded in a single-bond geometry to one N(3), one O(2), and one O(9) atom. The Cu(2)-N(3) bond length is 0.47 Å. The Cu(2)-O(2) bond length is 1.88 Å. The Cu(2)-O(9) bond length is 2.07 Å. There are four inequivalent C sites. In the first C site, C(8) is bonded in a distorted single-bond geometry to one C(20), one O(1), and one O(8) atom. The C(8)-C(20) bond length is 0.96 Å. The C(8)-O(1) bond length is 1.29 Å. The C(8)-O(8) bond length is 0.92 Å. In the second C site, C(7) is bonded in a distorted single-bond geometry to one C(19), one O(2), and one O(7) atom. The C(7)-C(19) bond length is 0.96 Å. The C(7)-O(2) bond length is 1.28 Å. The C(7)-O(7) bond length is 0.92 Å. In the third C site, C(19) is bonded in a distorted L-shaped geometry to one C(7) and one H(15) atom. The C(19)-H(15) bond length is 1.44 Å. In the fourth C site, C(20) is bonded in a distorted L-shaped geometry to one C(8) and one H(16) atom. The C(20)-H(16) bond length is 1.45 Å. There are two inequivalent N sites. In the first N site, N(3) is bonded in a single-bond geometry to one Cu(2) and one O(9) atom. The N(3)-O(9) bond length is 1.93 Å. In the second N site, N(4) is bonded in a single-bond geometry to one Cu(1) and one O(10) atom. The N(4)-O(10) bond length is 1.93 Å. There are two inequivalent H sites. In the first H site, H(16) is bonded in a distorted single-bond geometry to one C(20) and one O(1) atom. The H(16)-O(1) bond length is 1.16 Å. In the second H site, H(15) is bonded in a distorted single-bond geometry to one C(19) and one O(2) atom. The H(15)-O(2) bond length is 1.16 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Cu(1), one C(8), one H(16), and one O(8) atom. The O(1)-O(8) bond length is 0.84 Å. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Cu(2), one C(7), one H(15), and one O(7) atom. The O(2)-O(7) bond length is 0.84 Å. In the third O site, O(7) is bonded in a distorted L-shaped geometry to one C(7) and one O(2) atom. In the fourth O site, O(8) is bonded in a distorted L-shaped geometry to one C(8) and one O(1) atom. In the fifth O site, O(9) is bonded in a 3-coordinate geometry to one Cu(2), one N(3), and one O(10) atom. The O(9)-O(10) bond length is 0.43 Å. In the sixth O site, O(10) is bonded in a 3-coordinate geometry to one Cu(1), one N(4), and one O(9) atom.