Information card for entry 2219100

Structure parameters

• Common name: [<i>N,N'</i>-Ethylenebis(5-methoxy-2-hydroxyacetophenoneiminato)] nickel(II) hemihydrate
• Chemical name: {4,4'-Dimethoxy-2,2'-[1,1'-(ethane-1,2-\ diyldinitrilo)diethylidyne]diphenolato}nickel(II) hemihydrate
• Formula: C20 H23 N2 Ni O4.5
• Calculated formula: C20 H23 N2 Ni O4.5
• SMILES: [Ni]123Oc4ccc(cc4C(=[N]2CC[N]3=C(c2cc(ccc2O1)OC)C)C)OC.O
• Title of publication: {4,4'-Dimethoxy-2,2'-[1,1'-(ethane-1,2-diyldinitrilo)diethylidyne]diphenolato}nickel(II) hemihydrate
• Authors of publication: Fun, Hoong-Kun; Kia, Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m1081 - m1082
• a: 29.1721 ± 0.0007 Å
• b: 7.3032 ± 0.0002 Å
• c: 17.2833 ± 0.0004 Å
• α: 90°
• β: 101.323 ± 0.001°
• γ: 90°
• Cell volume: 3610.53 ± 0.16 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes