Information card for entry 4344814

Structure parameters

• Formula: C4 H30 Cl4 N12 Ni2 O16
• Calculated formula: C4 H30 Cl4 N12 Ni2 O16
• SMILES: c12[n]3[n](cn1N)[Ni]1([n]4c(n(c[n]4[Ni]3([NH2]N2)([OH2])([OH2])Cl)N)N[NH2]1)([OH2])([OH2])Cl.[O-]Cl(=O)(=O)=O.O.O.[O-]Cl(=O)(=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: 7.6985 ± 0.0005 Å
• b: 8.6832 ± 0.0006 Å
• c: 10.9672 ± 0.0011 Å
• α: 71.118 ± 0.001°
• β: 72.434 ± 0.001°
• γ: 86.012 ± 0.002°
• Cell volume: 661.01 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No