Information card for entry 2022803

Structure parameters

• Common name: Bis({<i>N</i>'-[(<i>Z</i>)-(furan-2-ylmethylidene)amino]carbamimidoyl}sulfanido)nickel(II) methanol disolvate
• Chemical name: Bis{(<i>Z</i>)-<i>N</i>'-[(<i>E</i>)-(furan-2-yl)methylidene]carbamohydrazonothioato}nickel(II) methanol disolvate
• Formula: C14 H20 N6 Ni O4 S2
• Calculated formula: C14 H20 N6 Ni O4 S2
• Title of publication: Crystal structure and Hirshfeld surface analysis of bis{(Z)-N′-[(E)-(furan-2-yl)methylidene]carbamohydrazonothioato}nickel(II) methanol disolvate
• Authors of publication: Azizova, Asmet N.; Mammadova, Gunay Z.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Bhattarai, Ajaya
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 7
• Pages of publication: 669 - 673
• a: 6.5394 ± 0.0011 Å
• b: 8.9611 ± 0.0015 Å
• c: 10.202 ± 0.0015 Å
• α: 67.965 ± 0.005°
• β: 79.666 ± 0.006°
• γ: 70.349 ± 0.006°
• Cell volume: 520.92 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes