Information card for entry 2238080

Structure parameters

• Chemical name: Bis{(<i>Z</i>)-[(<i>E</i>)-2-(pyridin-2-ylmethylidene)hydrazin-1-ylidene][(pyridin-2-yl)methylsulfanyl]methanethiolato}nickel(II)
• Formula: C26 H22 N8 Ni S4
• Calculated formula: C26 H22 N8 Ni S4
• SMILES: c1ccc(nc1)CSC1=N[N]2=Cc3[n]([Ni]452(S1)SC(=N[N]4=Cc1[n]5cccc1)SCc1ccccn1)cccc3
• Title of publication: Bis{(<i>Z</i>)-[(<i>E</i>)-2-(pyridin-2-ylmethylidene)hydrazin-1-ylidene][(pyridin-2-yl)methylsulfanyl]methanethiolato}nickel(II)
• Authors of publication: Khoo, Teng-Jin; bin Break, Mohammed Khaled; Tahir, M. Ibrahim M.; Krouse, Karen A.; Cowley, Andrew R.; Watkin, David J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: m323 - m324
• a: 26.0501 ± 0.0004 Å
• b: 8.0057 ± 0.0001 Å
• c: 13.0743 ± 0.0002 Å
• α: 90°
• β: 103.899 ± 0.0009°
• γ: 90°
• Cell volume: 2646.8 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections: 0.1671
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0797
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes