data_ZnH4C7(NO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.94
_cell_length_b   9.0
_cell_length_c   14.08
_cell_angle_alpha   85.05
_cell_angle_beta   74.85
_cell_angle_gamma   85.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnH4C7(NO2)4
_chemical_formula_sum   'Zn2 H8 C14 N8 O16'
_cell_volume   965.6
_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
  Zn  Zn0  1  0.66  0.99  0.49  1.0
  Zn  Zn1  1  0.69  0.89  0.07  1.0
  H  H2  1  0.19  0.28  0.66  1.0
  H  H3  1  0.22  0.48  0.61  1.0
  H  H4  1  0.2  0.26  0.9  1.0
  H  H5  1  0.74  0.45  0.31  1.0
  H  H6  1  0.16  0.6  0.89  1.0
  H  H7  1  0.13  0.4  0.95  1.0
  H  H8  1  0.61  0.43  0.24  1.0
  H  H9  1  0.15  0.62  0.66  1.0
  C  C10  1  0.0  0.53  0.62  1.0
  C  C11  1  0.35  0.36  0.94  1.0
  C  C12  1  0.73  0.67  0.27  1.0
  C  C13  1  0.62  0.22  0.29  1.0
  C  C14  1  0.88  0.29  0.71  1.0
  C  C15  1  0.47  0.6  0.85  1.0
  C  C16  1  0.41  0.34  0.27  1.0
  C  C17  1  0.95  0.55  0.3  1.0
  C  C18  1  0.22  0.58  0.66  1.0
  C  C19  1  0.13  0.32  0.91  1.0
  C  C20  1  0.0  0.02  0.76  1.0
  C  C21  1  0.35  0.86  0.8  1.0
  C  C22  1  0.59  0.45  0.25  1.0
  C  C23  1  0.76  0.43  0.3  1.0
  N  N24  1  0.63  0.67  0.18  1.0
  N  N25  1  0.72  0.22  0.38  1.0
  N  N26  1  0.82  0.62  0.94  1.0
  N  N27  1  0.54  0.28  0.62  1.0
  N  N28  1  0.91  0.62  0.89  1.0
  N  N29  1  0.44  0.26  0.68  1.0
  N  N30  1  0.14  0.6  0.87  1.0
  N  N31  1  0.21  0.29  0.68  1.0
  O  O32  1  0.12  0.99  0.41  1.0
  O  O33  1  0.23  0.9  0.15  1.0
  O  O34  1  0.87  0.96  0.75  1.0
  O  O35  1  0.48  0.93  0.81  1.0
  O  O36  1  0.95  0.7  0.62  1.0
  O  O37  1  0.4  0.19  0.94  1.0
  O  O38  1  0.7  0.7  0.01  1.0
  O  O39  1  0.65  0.18  0.55  1.0
  O  O40  1  0.21  0.77  0.76  1.0
  O  O41  1  0.3  0.58  0.49  1.0
  O  O42  1  0.22  0.13  0.92  1.0
  O  O43  1  0.99  0.33  0.97  1.0
  O  O44  1  0.44  0.66  0.02  1.0
  O  O45  1  0.34  0.92  0.83  1.0
  O  O46  1  0.91  0.22  0.54  1.0
  O  O47  1  0.01  0.96  0.73  1.0

data_ZnH4C7(NO2)4
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.94
_cell_length_b   9.0
_cell_length_c   14.08
_cell_angle_alpha   85.05
_cell_angle_beta   74.85
_cell_angle_gamma   85.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnH4C7(NO2)4
_chemical_formula_sum   'Zn2 H8 C14 N8 O16'
_cell_volume   965.6
_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
  Zn  Zn0  1  0.66  0.99  0.49  1.0
  Zn  Zn1  1  0.69  0.89  0.07  1.0
  H  H2  1  0.13  0.4  0.95  1.0
  H  H3  1  0.15  0.62  0.66  1.0
  H  H4  1  0.16  0.6  0.89  1.0
  H  H5  1  0.19  0.28  0.66  1.0
  H  H6  1  0.2  0.26  0.9  1.0
  H  H7  1  0.22  0.48  0.61  1.0
  H  H8  1  0.61  0.43  0.24  1.0
  H  H9  1  0.74  0.45  0.31  1.0
  C  C10  1  0.0  0.53  0.62  1.0
  C  C11  1  0.0  0.02  0.76  1.0
  C  C12  1  0.13  0.32  0.91  1.0
  C  C13  1  0.22  0.58  0.66  1.0
  C  C14  1  0.35  0.86  0.8  1.0
  C  C15  1  0.35  0.36  0.94  1.0
  C  C16  1  0.41  0.34  0.27  1.0
  C  C17  1  0.47  0.6  0.85  1.0
  C  C18  1  0.59  0.45  0.25  1.0
  C  C19  1  0.62  0.22  0.29  1.0
  C  C20  1  0.73  0.67  0.27  1.0
  C  C21  1  0.76  0.43  0.3  1.0
  C  C22  1  0.88  0.29  0.71  1.0
  C  C23  1  0.95  0.55  0.3  1.0
  N  N24  1  0.14  0.6  0.87  1.0
  N  N25  1  0.21  0.29  0.68  1.0
  N  N26  1  0.44  0.26  0.68  1.0
  N  N27  1  0.54  0.28  0.62  1.0
  N  N28  1  0.63  0.67  0.18  1.0
  N  N29  1  0.72  0.22  0.38  1.0
  N  N30  1  0.82  0.62  0.94  1.0
  N  N31  1  0.91  0.62  0.89  1.0
  O  O32  1  0.01  0.96  0.73  1.0
  O  O33  1  0.12  0.99  0.41  1.0
  O  O34  1  0.21  0.77  0.76  1.0
  O  O35  1  0.22  0.13  0.92  1.0
  O  O36  1  0.23  0.9  0.15  1.0
  O  O37  1  0.3  0.58  0.49  1.0
  O  O38  1  0.34  0.92  0.83  1.0
  O  O39  1  0.4  0.19  0.94  1.0
  O  O40  1  0.44  0.66  0.02  1.0
  O  O41  1  0.48  0.93  0.81  1.0
  O  O42  1  0.65  0.18  0.55  1.0
  O  O43  1  0.7  0.7  0.01  1.0
  O  O44  1  0.87  0.96  0.75  1.0
  O  O45  1  0.91  0.22  0.54  1.0
  O  O46  1  0.95  0.7  0.62  1.0
  O  O47  1  0.99  0.33  0.97  1.0

Zn Zn H H H H H H H H C C C C C C C C C C C C C C N N N N N N N N O O O O O O O O O O O O O O O O
Zn Zn H H H H H H H H C C C C C C C C C C C C C C N N N N N N N N O O O O O O O O O O O O O O O O 0 39 o + o 0 32 + o o 1 38 o o o 1 33 o o o 2 31 o o o 2 14 - o o 3 18 o o o 3 10 o o o 3 41 o o o 4 19 o o o 4 11 o o o 4 42 o o o 5 23 o o o 5 12 o o o 5 17 o o o 6 30 o o o 6 15 o o o 7 19 o o o 7 11 o o o 7 43 - o o 8 22 o o o 8 16 o o o 9 18 o o o 9 10 o o o 9 36 - o o 10 36 - o o 10 14 - o o 11 37 o o o 11 15 o o o 12 24 o o o 12 17 o o o 13 25 o o o 13 16 o o o 14 46 o o o 14 31 + o o 14 20 + o o 15 30 o o o 15 45 o o o 15 40 o o o 15 21 o o o 15 44 o o + 15 35 o o o 16 22 o o o 16 32 o - o 17 23 o o o 17 33 + o o 19 43 - o o 20 47 o - o 20 34 - - o 21 45 o o o 21 35 o o o 21 40 o o o 24 33 o o o 25 32 + - o 26 28 o o o 26 38 o o + 27 29 o o o 27 39 o o o 32 36 - o o 32 46 - + o 32 39 - + o 32 33 o o o 32 41 o o o 33 44 o o o 33 38 o o o 33 42 o + - 33 37 o + - 34 47 + o o 35 45 o o o 37 42 o o o 38 44 o o o 39 46 o o o 
(C)4(ZnC3N4H2O)4(CO2)2(CO3)2(CH2CO)2(C2H2O3)2(O2)5 is Indium-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two 02329_fluka atoms; one hydroperoxymethane;methanol molecule; one methane;methanol molecule; one methanol, hydroperoxy- molecule; one methyl hydroperoxide molecule; five water atoms; and one ZnC3N4H2O cluster. In the ZnC3N4H2O cluster, there are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted single-bond geometry to one N(2) and one O(8) atom. The Zn(1)-N(2) bond length is 2.50 Å. The Zn(1)-O(8) bond length is 1.93 Å. In the second Zn site, Zn(2) is bonded in a 2-coordinate geometry to one N(1) and one O(7) atom. The Zn(2)-N(1) bond length is 2.46 Å. The Zn(2)-O(7) bond length is 1.92 Å. There are six inequivalent C sites. In the first C site, C(3) is bonded in a single-bond geometry to one C(8) and one N(1) atom. The C(3)-C(8) bond length is 2.06 Å. The C(3)-N(1) bond length is 1.66 Å. In the second C site, C(4) is bonded in a single-bond geometry to one C(7) and one N(2) atom. The C(4)-C(7) bond length is 2.05 Å. The C(4)-N(2) bond length is 1.56 Å. In the third C site, C(7) is bonded in a 2-coordinate geometry to one C(13) and one C(4) atom. The C(7)-C(13) bond length is 1.77 Å. In the fourth C site, C(8) is bonded in a 2-coordinate geometry to one C(14) and one C(3) atom. The C(8)-C(14) bond length is 1.88 Å. In the fifth C site, C(13) is bonded in a single-bond geometry to one C(7), one N(1), and one H(7) atom. The C(13)-N(1) bond length is 2.11 Å. The C(13)-H(7) bond length is 0.30 Å. In the sixth C site, C(14) is bonded in a single-bond geometry to one C(8), one N(2), and one H(4) atom. The C(14)-N(2) bond length is 2.10 Å. The C(14)-H(4) bond length is 0.29 Å. There are eight inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Zn(2), one C(13), and one C(3) atom. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Zn(1), one C(14), and one C(4) atom. In the third N site, N(3) is bonded in a bent 150 degrees geometry to one N(5) and one O(7) atom. The N(3)-N(5) bond length is 0.94 Å. The N(3)-O(7) bond length is 1.37 Å. In the fourth N site, N(4) is bonded in a distorted bent 120 degrees geometry to one N(6) and one O(8) atom. The N(4)-N(6) bond length is 0.93 Å. The N(4)-O(8) bond length is 1.47 Å. In the fifth N site, N(5) is bonded in a bent 120 degrees geometry to one N(3) and one N(7) atom. The N(5)-N(7) bond length is 1.85 Å. In the sixth N site, N(6) is bonded in a distorted bent 120 degrees geometry to one N(4) and one N(8) atom. The N(6)-N(8) bond length is 1.86 Å. In the seventh N site, N(7) is bonded in a single-bond geometry to one N(5) and one H(5) atom. The N(7)-H(5) bond length is 0.32 Å. In the eighth N site, N(8) is bonded in a single-bond geometry to one N(6) and one H(1) atom. The N(8)-H(1) bond length is 0.34 Å. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(8) atom. In the second H site, H(4) is bonded in a single-bond geometry to one C(14) atom. In the third H site, H(5) is bonded in a single-bond geometry to one N(7) atom. In the fourth H site, H(7) is bonded in a single-bond geometry to one C(13) atom. There are two inequivalent O sites. In the first O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Zn(2) and one N(3) atom. In the second O site, O(8) is bonded in a bent 150 degrees geometry to one Zn(1) and one N(4) atom.