Information card for entry 2218079

Structure parameters

• Chemical name: Bis{2-methoxy-6-[3-(methylamino)propyliminomethyl]phenolato}nickel(II) bis(perchlorate)
• Formula: C24 H36 Cl2 N4 Ni O12
• Calculated formula: C24 H36 Cl2 N4 Ni O12
• SMILES: c12c(c(ccc1)OC)O[Ni]1([N](=C2)CCC[NH2+]C)[N](=Cc2c(c(ccc2)OC)O1)CCC[NH2+]C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Bis{2-methoxy-6-[3-(methylamino)propyliminomethyl]phenolato}nickel(II) bis(perchlorate)
• Authors of publication: He, Yin-Ting
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m646 - m647
• a: 13.557 ± 0.005 Å
• b: 13.302 ± 0.005 Å
• c: 17.371 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3133 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0854
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.1879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes