Information card for entry 1573925

Structure parameters

• Common name: Bis{4-(allyloxy)-<i>N</i>'-[4-(octyloxy)benzylidene]benzohydrazidato}nickel(II)
• Chemical name: Bis(<i>N</i>'-{[4-(octyloxy)phenyl]methylidene}-4-(prop-2-en-1-yloxy)benzohydrazidato)nickel(II)
• Formula: C50 H62 N4 Ni O6
• Calculated formula: C50 H62 N4 Ni O6
• SMILES: [Ni]12([N](N=C(O1)c1ccc(OCC=C)cc1)=Cc1ccc(OCCCCCCCC)cc1)[N](N=C(O2)c1ccc(OCC=C)cc1)=Cc1ccc(OCCCCCCCC)cc1
• Title of publication: Bis{4-(allyloxy)-N′-[4-(octyloxy)benzylidene]benzohydrazidato}nickel(II)
• Authors of publication: Khan, Sultana Shakila; Howlader, Md. Belayet Hossain; Sheikh, Md. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio
• Journal of publication: IUCrData
• Year of publication: 2025
• Journal volume: 10
• Journal issue: 2
• Pages of publication: x250120
• a: 5.5532 ± 0.0003 Å
• b: 12.0594 ± 0.0005 Å
• c: 17.023 ± 0.0008 Å
• α: 86.599 ± 0.006°
• β: 83.723 ± 0.006°
• γ: 82.426 ± 0.006°
• Cell volume: 1122.11 ± 0.1 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: 0.0661
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No