Information card for entry 7027004

Structure parameters

• Formula: C26 H18 N2 Ni2 S4
• Calculated formula: C26 H18 N2 Ni2 S4
• SMILES: [Ni]1234[Ni]56([S]2c2c([N]4=Cc4c(S1)cccc4)cccc2)Sc1ccccc1C=[N]6c1ccccc1[S]35
• Title of publication: Anion dependent deprotection of a thioether group in Schiff base NS2 ligands results in new mononuclear and dinuclear thiolato nickel complexes
• Authors of publication: Bouwman, Elisabeth; Henderson, Richard K.; Powell, Annie K.; Reedijk, Jan; Smeets, Wilberth J. J.; Spek, Anthony L.; Veldman, Nora; Wocadlo, Sigrid
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 20
• Pages of publication: 3495
• a: 11.753 ± 0.003 Å
• b: 11.9765 ± 0.0017 Å
• c: 20.275 ± 0.004 Å
• α: 90°
• β: 123.665 ± 0.014°
• γ: 90°
• Cell volume: 2375.3 ± 0.9 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1691
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No