Information card for entry 2244204

Structure parameters

• Chemical name: Bis{4-[(4-methylbenzyl)oxy]-<i>N</i>'-(4-methylbenzylidene)benzohydrazidato}nickel(II)
• Formula: C46 H42 N4 Ni O4
• Calculated formula: C46 H42 N4 Ni O4
• SMILES: [Ni]12([N](=Cc3ccc(cc3)C)N=C(O1)c1ccc(OCc3ccc(cc3)C)cc1)[N](=Cc1ccc(cc1)C)N=C(O2)c1ccc(OCc2ccc(cc2)C)cc1
• Title of publication: Crystal structure of bis{4-[(4-methylbenzyl)oxy]-<i>N</i>'-(4-methylbenzylidene)benzohydrazidato}nickel(II)
• Authors of publication: Banna, Md. Hasan Al; Howlader, Md. Belayet Hossain; Miyatake, Ryuta; Sheikh, Md. Chanmiya; Zangrando, Ennio
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 10
• Pages of publication: 1081 - 1083
• a: 4.6914 ± 0.0002 Å
• b: 13.0677 ± 0.0007 Å
• c: 16.9923 ± 0.0008 Å
• α: 68.441 ± 0.005°
• β: 83.739 ± 0.006°
• γ: 88.032 ± 0.006°
• Cell volume: 963.05 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes