Information card for entry 2216713

Structure parameters

• Chemical name: Diaquabis{2-[2-(isopropylammonio)ethyliminomethyl]-6-methoxyphenolato}nickel(II) dinitrate dihydrate
• Formula: C26 H48 N6 Ni O14
• Calculated formula: C26 H48 N6 Ni O14
• SMILES: N(=O)(=O)[O-].[OH2][Ni]12([N](=Cc3c(O1)c(ccc3)OC)CC[NH2+]C(C)C)([N](=Cc1c(c(ccc1)OC)O2)CC[NH2+]C(C)C)[OH2].O.N(=O)(=O)[O-].O
• Title of publication: Diaquabis{2-[2-(isopropylammonio)ethyliminomethyl]-6-methoxyphenolato}nickel(II) dinitrate dihydrate
• Authors of publication: Ying-Zhen Wang; Lan-Lan Li; Yong-Qing Su; Cong Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m2945 - m2946
• a: 14.101 ± 0.004 Å
• b: 10.369 ± 0.003 Å
• c: 23.627 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3454.6 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes