Information card for entry 2214986

Structure parameters

• Common name: [<i>N</i>,<i>N</i>'-Bis(6-methoxysalicylidene)-1,3-diaminopropane]nickel(II)
• Chemical name: {3,3'-dimethoxy-2,2'-[propane-1,3- diylbis(nitrilomethylidyne)]diphenolato}nickel(II)
• Formula: C19 H20 N2 Ni O4
• Calculated formula: C19 H20 N2 Ni O4
• SMILES: [Ni]123Oc4cccc(OC)c4C=[N]2CCC[N]3=Cc2c(cccc2OC)O1
• Title of publication: [<i>N</i>,<i>N</i>'-Bis(6-methoxysalicylidene)-1,3-diaminopropane]nickel(II)
• Authors of publication: Habibi, Mohammad Hossein; Mokhtari, Reza; Harrington, Ross W.; Clegg, William
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2304 - m2304
• a: 13.677 ± 0.002 Å
• b: 12.7319 ± 0.0018 Å
• c: 9.8561 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1716.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes