Information card for entry 4344809

Structure parameters

• Formula: C6 H18 Cl2 N18 Ni O4
• Calculated formula: C6 H18 Cl2 N18 Ni O4
• SMILES: c12n(N)cn[n]2[Ni]23([NH2]N1)([n]1c(n(cn1)N)N[NH2]2)[n]1c(n(cn1)N)N[NH2]3.[O-]Cl(=O)(=O)=O.[Cl-]
• 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: 9.3258 ± 0.0004 Å
• b: 9.3258 ± 0.0004 Å
• c: 6.0815 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 458.05 ± 0.03 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 143
• Hermann-Mauguin space group symbol: P 3
• Hall space group symbol: P 3
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No