Information card for entry 4344815

Structure parameters

• Formula: C4 H28 Cl4 N12 Ni2 O24
• Calculated formula: C4 H28 Cl4 N12 Ni2 O24
• SMILES: [O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[OH2][Ni]12([OH2])([OH2])[n]3cn(c4[n]3[Ni]([n]3cn(c([n]13)N[NH2]2)N)([NH2]N4)([OH2])([OH2])[OH2])N.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.O
• Title of publication: Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.
• Authors of publication: Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 322
• a: 9.137 ± 0.0008 Å
• b: 15.4381 ± 0.0013 Å
• c: 10.6689 ± 0.0009 Å
• α: 90°
• β: 103.544 ± 0.002°
• γ: 90°
• Cell volume: 1463.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No