Information card for entry 2022815

Structure parameters

• Chemical name: Bis{<i>S</i>-octyl-3-[(thiophen-2-yl)methylidene]dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>}nickel(II)
• Formula: C28 H42 N4 Ni S6
• Calculated formula: C28 H42 N4 Ni S6
• Title of publication: Crystal structure of bis{S-octyl-3-[(thiophen-2-yl)methylidene]dithiocarbazato-κ2 N 3,S}nickel(II)
• Authors of publication: Khan, Sultana Shakila; Howlader, Md. Belayet Hossain; Sheikh, Md. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 8
• a: 15.5444 ± 0.0006 Å
• b: 5.5388 ± 0.0003 Å
• c: 20.1592 ± 0.0008 Å
• α: 90°
• β: 103.675 ± 0.007°
• γ: 90°
• Cell volume: 1686.45 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0832
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes