Information card for entry 2202824

Structure parameters

• Common name: {N,N'-Bis[3-methoxymethyl-5-methylsalicylidene]-(R,R)-1,2- diphenylenediamino}nickel(II)
• Chemical name: 6,6'-bis(methoxymethyl)-4,4'-dimethyl-2,2'-[1,2-diphenyl-1,2- ethanediylbis(nitrilomethylidyne)]diphenol
• Formula: C34 H34 N2 Ni O4
• Calculated formula: C34 H34 N2 Ni O4
• SMILES: c1ccccc1[C@H]1[N]2=Cc3cc(cc(c3O[Ni]32[N]([C@@H]1c1ccccc1)=Cc1cc(cc(c1O3)COC)C)COC)C
• Title of publication: {<i>N,N</i>'-Bis[3-methoxymethyl-5-methylsalicylidene]-(<i>R,R</i>)-1,2-diphenylenediamino}nickel(II)
• Authors of publication: Jin-Cai Wu; Ning Tang; Kai-Bei Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: m977 - m979
• a: 24.101 ± 0.003 Å
• b: 13.76 ± 0.001 Å
• c: 8.989 ± 0.001 Å
• α: 90°
• β: 100.87 ± 0.01°
• γ: 90°
• Cell volume: 2927.5 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes