Information card for entry 2226057

Structure parameters

• Chemical name: {3,3',5,5'-Tetramethoxy-2,2'-[ethane-1,2- diylbis(nitrilomethylidyne)]diphenolato}nickel(II)
• Formula: C20 H22 N2 Ni O6
• Calculated formula: C20 H22 N2 Ni O6
• SMILES: [Ni]123Oc4cc(cc(OC)c4C=[N]2CC[N]3=Cc2c(cc(OC)cc2O1)OC)OC
• Title of publication: {3,3',5,5'-Tetramethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}nickel(II)
• Authors of publication: Assey, Gervas E.; Butcher, Ray J.; Gultneh, Yilma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m620
• a: 7.41599 ± 0.00012 Å
• b: 15.6945 ± 0.0002 Å
• c: 15.7203 ± 0.0002 Å
• α: 90°
• β: 91.9153 ± 0.0013°
• γ: 90°
• Cell volume: 1828.67 ± 0.04 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0383
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes