Information card for entry 2022490

Structure parameters

• Common name: Bis(3-formylpyridine 4-ethylthiosemicarbazonato-κ^2^<i>N</i>^1^,<i>S</i>)nickel(II)
• Chemical name: Bis[(<i>Z</i>)-<i>N</i>-ethyl-2-(pyridin-3-ylmethylidene)hydrazine-1-carbothioamidato-κ^2^<i>N</i>^1^,<i>S</i>]nickel(II)
• Formula: C18 H22 N8 Ni S2
• Calculated formula: C18 H22 N8 Ni S2
• SMILES: C1(NCC)=N[N](=Cc2cccnc2)[Ni]2(S1)[N](=Cc1cccnc1)N=C(NCC)S2
• Title of publication: Crystal structures of 3/4-pyridyl-based thiosemicarbazones and related Cu and Ni coordination compounds
• Authors of publication: Lobana, Tarlok Singh; Kaushal, Mani; Bhatia, Robin; Bala, Ritu; Butcher, Ray J.; Jasinksi, Jerry P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 1
• a: 7.6398 ± 0.0006 Å
• b: 14.393 ± 0.0008 Å
• c: 9.7339 ± 0.0007 Å
• α: 90°
• β: 107.823 ± 0.008°
• γ: 90°
• Cell volume: 1018.97 ± 0.13 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: 0.056
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes