Information card for entry 2227079

Structure parameters

• Chemical name: Bis{1-[3-(diethylammonio)propyliminomethyl]naphthalen-2-olato}nickel(II) dinitrate
• Formula: C36 H48 N6 Ni O8
• Calculated formula: C36 H48 N6 Ni O8
• SMILES: N(=O)(=O)[O-].[Ni]12(Oc3c(c4c(cc3)cccc4)C=[N]1CCC[NH+](CC)CC)[N](=Cc1c(ccc3ccccc13)O2)CCC[NH+](CC)CC.N(=O)(=O)[O-]
• Title of publication: Bis{1-[3-(diethylammonio)propyliminomethyl]naphthalen-2-olato}nickel(II) dinitrate
• Authors of publication: Ji, Xiao-Hui; Lu, Jiu-Fu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m883 - m884
• a: 11.096 ± 0.002 Å
• b: 12.773 ± 0.003 Å
• c: 12.743 ± 0.003 Å
• α: 90°
• β: 107.66 ± 0.03°
• γ: 90°
• Cell volume: 1720.9 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0946
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1893
• Weighted residual factors for all reflections included in the refinement: 0.2093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes