Information card for entry 2229525

Structure parameters

• Chemical name: {6,6'-Dimethoxy-2,2'-[ethane-1,2- diylbis(nitrilomethanylylidene)]diphenolato}nickel(II) dimethylformamide monosolvate
• Formula: C21 H25 N3 Ni O5
• Calculated formula: C21 H25 N3 Ni O5
• SMILES: [Ni]123Oc4c(OC)cccc4C=[N]2CC[N]3=Cc2cccc(c2O1)OC.O=CN(C)C
• Title of publication: {6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}nickel(II) dimethylformamide monosolvate
• Authors of publication: Ayikoé, Kouassi; Butcher, Ray J.; Gultneh, Yilma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: m328
• a: 6.8601 ± 0.0001 Å
• b: 15.3432 ± 0.0003 Å
• c: 18.9065 ± 0.0004 Å
• α: 90°
• β: 91.676 ± 0.002°
• γ: 90°
• Cell volume: 1989.17 ± 0.06 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: 0.0442
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes