data_HgH10C12Br2(N2O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.44
_cell_length_b   5.02
_cell_length_c   13.69
_cell_angle_alpha   90.0
_cell_angle_beta   98.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgH10C12Br2(N2O)2
_chemical_formula_sum   'Hg2 H20 C24 Br4 N8 O4'
_cell_volume   778.28
_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
  Hg  Hg0  1  0.52  0.58  0.39  1.0
  Hg  Hg1  1  0.55  0.44  0.17  1.0
  H  H2  1  0.18  0.3  0.75  1.0
  H  H3  1  0.3  0.3  0.03  1.0
  H  H4  1  0.33  0.72  0.81  1.0
  H  H5  1  0.21  0.72  0.52  1.0
  H  H6  1  0.99  0.8  0.12  1.0
  H  H7  1  0.48  0.8  0.66  1.0
  H  H8  1  0.51  0.22  0.44  1.0
  H  H9  1  0.02  0.22  0.89  1.0
  H  H10  1  0.71  0.61  0.14  1.0
  H  H11  1  0.76  0.61  0.64  1.0
  H  H12  1  0.79  0.41  0.41  1.0
  H  H13  1  0.74  0.41  0.92  1.0
  H  H14  1  0.14  0.91  0.19  1.0
  H  H15  1  0.33  0.91  0.59  1.0
  H  H16  1  0.36  0.11  0.36  1.0
  H  H17  1  0.17  0.11  0.97  1.0
  H  H18  1  0.02  0.58  0.94  1.0
  H  H19  1  0.45  0.58  0.84  1.0
  H  H20  1  0.49  0.44  0.61  1.0
  H  H21  1  0.05  0.44  0.72  1.0
  C  C22  1  0.65  0.94  0.98  1.0
  C  C23  1  0.82  0.94  0.8  1.0
  C  C24  1  0.86  0.08  0.58  1.0
  C  C25  1  0.68  0.08  0.75  1.0
  C  C26  1  0.61  0.94  1.0  1.0
  C  C27  1  0.86  0.94  0.78  1.0
  C  C28  1  0.89  0.07  0.55  1.0
  C  C29  1  0.64  0.07  0.78  1.0
  C  C30  1  0.41  0.1  0.13  1.0
  C  C31  1  0.06  0.1  0.65  1.0
  C  C32  1  0.09  0.91  0.42  1.0
  C  C33  1  0.44  0.91  0.91  1.0
  C  C34  1  0.23  0.23  0.2  1.0
  C  C35  1  0.24  0.23  0.58  1.0
  C  C36  1  0.27  0.79  0.35  1.0
  C  C37  1  0.26  0.79  0.98  1.0
  C  C38  1  0.23  0.25  0.11  1.0
  C  C39  1  0.24  0.25  0.67  1.0
  C  C40  1  0.27  0.77  0.44  1.0
  C  C41  1  0.26  0.77  0.89  1.0
  C  C42  1  0.42  0.3  0.11  1.0
  C  C43  1  0.05  0.3  0.66  1.0
  C  C44  1  0.08  0.72  0.44  1.0
  C  C45  1  0.45  0.72  0.89  1.0
  Br  Br46  1  0.38  0.71  0.61  1.0
  Br  Br47  1  0.09  0.71  0.16  1.0
  Br  Br48  1  0.12  0.31  0.94  1.0
  Br  Br49  1  0.41  0.31  0.39  1.0
  N  N50  1  0.46  0.12  0.03  1.0
  N  N51  1  0.02  0.12  0.75  1.0
  N  N52  1  0.05  0.9  0.53  1.0
  N  N53  1  0.49  0.9  0.81  1.0
  N  N54  1  0.97  0.35  0.4  1.0
  N  N55  1  0.5  0.35  0.38  1.0
  N  N56  1  0.53  0.67  0.16  1.0
  N  N57  1  0.0  0.67  0.17  1.0
  O  O58  1  0.35  0.11  0.77  1.0
  O  O59  1  0.13  0.11  0.01  1.0
  O  O60  1  0.16  0.91  0.78  1.0
  O  O61  1  0.38  0.91  0.55  1.0

data_HgH10C12Br2(N2O)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.02
_cell_length_b   11.44
_cell_length_c   13.69
_cell_angle_alpha   98.14
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgH10C12Br2(N2O)2
_chemical_formula_sum   'Hg2 H20 C24 Br4 N8 O4'
_cell_volume   778.28
_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
  Hg  Hg0  1  0.42  0.48  0.61  1.0
  Hg  Hg1  1  0.56  0.45  0.83  1.0
  H  H2  1  0.09  0.67  0.41  1.0
  H  H3  1  0.09  0.86  0.81  1.0
  H  H4  1  0.2  0.01  0.88  1.0
  H  H5  1  0.2  0.52  0.34  1.0
  H  H6  1  0.28  0.67  0.19  1.0
  H  H7  1  0.28  0.79  0.48  1.0
  H  H8  1  0.39  0.24  0.36  1.0
  H  H9  1  0.39  0.29  0.86  1.0
  H  H10  1  0.42  0.55  0.16  1.0
  H  H11  1  0.42  0.98  0.06  1.0
  H  H12  1  0.56  0.51  0.39  1.0
  H  H13  1  0.56  0.95  0.28  1.0
  H  H14  1  0.59  0.21  0.59  1.0
  H  H15  1  0.59  0.26  0.08  1.0
  H  H16  1  0.7  0.7  0.97  1.0
  H  H17  1  0.7  0.82  0.25  1.0
  H  H18  1  0.78  0.49  0.56  1.0
  H  H19  1  0.78  0.98  0.11  1.0
  H  H20  1  0.89  0.64  0.64  1.0
  H  H21  1  0.89  0.83  0.03  1.0
  C  C22  1  0.06  0.14  0.22  1.0
  C  C23  1  0.06  0.39  0.0  1.0
  C  C24  1  0.06  0.18  0.2  1.0
  C  C25  1  0.06  0.35  0.02  1.0
  C  C26  1  0.09  0.56  0.09  1.0
  C  C27  1  0.09  0.91  0.58  1.0
  C  C28  1  0.21  0.73  0.65  1.0
  C  C29  1  0.21  0.74  0.02  1.0
  C  C30  1  0.23  0.73  0.56  1.0
  C  C31  1  0.23  0.74  0.11  1.0
  C  C32  1  0.28  0.55  0.11  1.0
  C  C33  1  0.28  0.92  0.56  1.0
  C  C34  1  0.7  0.58  0.89  1.0
  C  C35  1  0.7  0.95  0.34  1.0
  C  C36  1  0.75  0.76  0.33  1.0
  C  C37  1  0.75  0.77  0.89  1.0
  C  C38  1  0.77  0.76  0.42  1.0
  C  C39  1  0.77  0.77  0.8  1.0
  C  C40  1  0.9  0.59  0.87  1.0
  C  C41  1  0.9  0.94  0.35  1.0
  C  C42  1  0.92  0.14  0.42  1.0
  C  C43  1  0.92  0.32  0.25  1.0
  C  C44  1  0.93  0.11  0.45  1.0
  C  C45  1  0.93  0.36  0.22  1.0
  Br  Br46  1  0.29  0.62  0.39  1.0
  Br  Br47  1  0.29  0.91  0.84  1.0
  Br  Br48  1  0.69  0.59  0.61  1.0
  Br  Br49  1  0.69  0.88  0.06  1.0
  N  N50  1  0.1  0.51  0.19  1.0
  N  N51  1  0.1  0.95  0.47  1.0
  N  N52  1  0.33  0.47  0.84  1.0
  N  N53  1  0.33  1.0  0.83  1.0
  N  N54  1  0.65  0.03  0.6  1.0
  N  N55  1  0.65  0.5  0.62  1.0
  N  N56  1  0.88  0.54  0.97  1.0
  N  N57  1  0.88  0.98  0.25  1.0
  O  O58  1  0.09  0.62  0.45  1.0
  O  O59  1  0.09  0.84  0.22  1.0
  O  O60  1  0.89  0.65  0.23  1.0
  O  O61  1  0.89  0.87  0.99  1.0

Hg Hg 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 C C Br Br Br Br N N N N N N N N O O O O
(HgNH2Br)2(HgC24N5H13O4Br2)2N2(H2)3(NH2Br)2 is Indium-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of three 1333-74-0 atoms, one ammonia atom, one HgC24N5H13O4Br2 cluster, one HgNH2Br cluster, and one NH2Br cluster. In the HgC24N5H13O4Br2 cluster, Hg(2) is bonded in a distorted water-like geometry to one C(21), one N(7), and one H(9) atom. The Hg(2)-C(21) bond length is 1.63 Å. The Hg(2)-N(7) bond length is 1.16 Å. The Hg(2)-H(9) bond length is 2.18 Å. There are eighteen inequivalent C sites. In the first C site, C(1,3) is bonded in a single-bond geometry to one C(5) atom. The C(1,3)-C(5) bond length is 0.53 Å. In the second C site, C(2,4) is bonded in a distorted single-bond geometry to one C(6,8) atom. The C(2,4)-C(6,8) bond length is 0.53 Å. In the third C site, C(5) is bonded in a distorted bent 150 degrees geometry to one C(1,3) and one N(1) atom. The C(5)-N(1) bond length is 2.09 Å. In the fourth C site, C(6,8) is bonded in a distorted bent 150 degrees geometry to one C(2,4) and one N(2,4) atom. The C(6,8)-N(2,4) bond length is 2.09 Å. In the fifth C site, C(7) is bonded in a distorted single-bond geometry to one C(1,3) and one N(3) atom. The C(7)-C(1,3) bond length is 0.53 Å. The C(7)-N(3) bond length is 2.09 Å. In the sixth C site, C(9) is bonded in a 2-coordinate geometry to one C(21) and one N(1) atom. The C(9)-C(21) bond length is 1.04 Å. The C(9)-N(1) bond length is 1.55 Å. In the seventh C site, C(10) is bonded in a 3-coordinate geometry to one C(22,24); one N(2,4); and one N(3) atom. The C(10)-C(22,24) bond length is 1.04 Å. The C(10)-N(2,4) bond length is 1.55 Å. The C(10)-N(3) bond length is 1.94 Å. In the eighth C site, C(11) is bonded in a 2-coordinate geometry to one C(23) and one N(3) atom. The C(11)-C(23) bond length is 1.04 Å. The C(11)-N(3) bond length is 1.55 Å. In the ninth C site, C(12) is bonded in a 3-coordinate geometry to one C(22,24); one N(1); and one N(2,4) atom. The C(12)-C(22,24) bond length is 1.04 Å. The C(12)-N(1) bond length is 1.94 Å. The C(12)-N(2,4) bond length is 1.55 Å. In the tenth C site, C(13) is bonded in a single-bond geometry to one C(17) atom. The C(13)-C(17) bond length is 1.27 Å. In the eleventh C site, C(14,16) is bonded in a single-bond geometry to one C(18,20) atom. The C(14,16)-C(18,20) bond length is 1.27 Å. In the twelfth C site, C(15) is bonded in a single-bond geometry to one C(19) atom. The C(15)-C(19) bond length is 1.27 Å. In the thirteenth C site, C(17) is bonded in a 3-coordinate geometry to one C(13), one H(2), and one O(2) atom. The C(17)-H(2) bond length is 1.41 Å. The C(17)-O(2) bond length is 1.84 Å. In the fourteenth C site, C(18,20) is bonded in a 3-coordinate geometry to one C(14,16); one H(1,3); and one O(1,3) atom. The C(18,20)-H(1,3) bond length is 1.41 Å. The C(18,20)-O(1,3) bond length is 1.84 Å. In the fifteenth C site, C(19) is bonded in a 3-coordinate geometry to one C(15), one H(4), and one O(4) atom. The C(19)-H(4) bond length is 1.41 Å. The C(19)-O(4) bond length is 1.84 Å. In the sixteenth C site, C(21) is bonded in a 4-coordinate geometry to one Hg(2), one C(9), one N(1), and one H(2) atom. The C(21)-N(1) bond length is 1.57 Å. The C(21)-H(2) bond length is 1.71 Å. In the seventeenth C site, C(22,24) is bonded in a 4-coordinate geometry to one C(10); one N(2,4); one H(1,3); and one H(18,20) atom. The C(22,24)-N(2,4) bond length is 1.57 Å. The C(22,24)-H(1,3) bond length is 1.71 Å. The C(22,24)-H(18,20) bond length is 1.01 Å. In the eighteenth C site, C(23) is bonded in a 3-coordinate geometry to one C(11), one N(3), and one H(4) atom. The C(23)-N(3) bond length is 1.57 Å. The C(23)-H(4) bond length is 1.71 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one C(12), one C(21), one C(5), and one C(9) atom. In the second N site, N(2,4) is bonded in a 5-coordinate geometry to one C(10); one C(22,24); one C(6,8); one H(18,20); and one O(1,3) atom. The N(2,4)-H(18,20) bond length is 1.71 Å. The N(2,4)-O(1,3) bond length is 1.94 Å. In the third N site, N(3) is bonded in a 4-coordinate geometry to one C(10), one C(11), one C(23), and one C(7) atom. In the fourth N site, N(7) is bonded in a single-bond geometry to one Hg(2) atom. There are eleven inequivalent H sites. In the first H site, H(1,3) is bonded in a distorted single-bond geometry to one C(18,20) and one C(22,24) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one C(17) and one C(21) atom. In the third H site, H(4) is bonded in a distorted single-bond geometry to one C(19) and one C(23) atom. In the fourth H site, H(6) is bonded in a single-bond geometry to one Br(1) atom. The H(6)-Br(1) bond length is 1.27 Å. In the fifth H site, H(8) is bonded in a single-bond geometry to one Br(3) atom. The H(8)-Br(3) bond length is 1.27 Å. In the sixth H site, H(9) is bonded in a single-bond geometry to one Hg(2) atom. In the seventh H site, H(14) is bonded in a distorted single-bond geometry to one O(4) and one Br(1) atom. The H(14)-O(4) bond length is 0.82 Å. The H(14)-Br(1) bond length is 1.21 Å. In the eighth H site, H(16) is bonded in a distorted single-bond geometry to one O(2) and one Br(3) atom. The H(16)-O(2) bond length is 0.82 Å. The H(16)-Br(3) bond length is 1.21 Å. In the ninth H site, H(17) is bonded in a single-bond geometry to one Br(3) atom. The H(17)-Br(3) bond length is 1.79 Å. In the tenth H site, H(18,20) is bonded in a single-bond geometry to one C(22,24) and one N(2,4) atom. In the eleventh H site, H(19) is bonded in a single-bond geometry to one Br(1) atom. The H(19)-Br(1) bond length is 1.79 Å. There are three inequivalent O sites. In the first O site, O(1,3) is bonded in a bent 150 degrees geometry to one C(18,20) and one N(2,4) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(17), one H(16), and one Br(3) atom. The O(2)-Br(3) bond length is 1.35 Å. In the third O site, O(4) is bonded in a single-bond geometry to one C(19), one H(14), and one Br(1) atom. The O(4)-Br(1) bond length is 1.35 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to one H(14), one H(19), one H(6), and one O(4) atom. In the second Br site, Br(3) is bonded in a 4-coordinate geometry to one H(16), one H(17), one H(8), and one O(2) atom. In the HgNH2Br cluster, Hg(1) is bonded in a single-bond geometry to one N(6) atom. The Hg(1)-N(6) bond length is 1.16 Å. N(6) is bonded in a 3-coordinate geometry to one Hg(1), one H(7), and one Br(4) atom. The N(6)-H(7) bond length is 1.04 Å. The N(6)-Br(4) bond length is 1.05 Å. There are two inequivalent H sites. In the first H site, H(7) is bonded in a 2-coordinate geometry to one N(6) and one Br(4) atom. The H(7)-Br(4) bond length is 1.27 Å. In the second H site, H(15) is bonded in a single-bond geometry to one Br(4) atom. The H(15)-Br(4) bond length is 1.21 Å. Br(4) is bonded in a 3-coordinate geometry to one N(6), one H(15), and one H(7) atom. In the NH2Br cluster, N(8) is bonded in a 2-coordinate geometry to one H(5) and one Br(2) atom. The N(8)-H(5) bond length is 1.04 Å. The N(8)-Br(2) bond length is 1.05 Å. There are two inequivalent H sites. In the first H site, H(5) is bonded in a 2-coordinate geometry to one N(8) and one Br(2) atom. The H(5)-Br(2) bond length is 1.27 Å. In the second H site, H(13) is bonded in a single-bond geometry to one Br(2) atom. The H(13)-Br(2) bond length is 1.21 Å. Br(2) is bonded in a 3-coordinate geometry to one N(8), one H(13), and one H(5) atom.