Information card for entry 2237429

Structure parameters

• Chemical name: Bis(2,2',2''-nitrilotriacetamide-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')nickel(II) dinitrate tetrahydrate
• Formula: C12 H32 N10 Ni O16
• Calculated formula: C12 H32 N10 Ni O16
• SMILES: C1(N)=[O][Ni]234([N](C1)(CC(N)=[O]3)CC(=O)N)[N](CC(N)=[O]2)(CC(N)=[O]4)CC(=O)N.N(=O)(=O)[O-].O.O.N(=O)(=O)[O-].O.O
• Title of publication: Bis(2,2',2''-nitrilotriacetamide-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')nickel(II) dinitrate tetrahydrate
• Authors of publication: Deng, Xiao-Hui; Nie, Qi-Jun; Zhu, Feng-Juan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: m89
• a: 8.557 ± 0.007 Å
• b: 9.212 ± 0.008 Å
• c: 9.367 ± 0.008 Å
• α: 91.18 ± 0.014°
• β: 96.215 ± 0.014°
• γ: 111.136 ± 0.014°
• Cell volume: 683.2 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes