Information card for entry 7027003

Structure parameters

• Formula: C34 H36 N2 Ni S4
• Calculated formula: C34 H36 N2 Ni S4
• SMILES: [Ni]12(Sc3ccccc3[N]1=Cc1ccccc1SC(C)(C)C)Sc1ccccc1[N]2=Cc1ccccc1SC(C)(C)C
• 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: 14.665 ± 0.004 Å
• b: 14.8 ± 0.007 Å
• c: 14.923 ± 0.006 Å
• α: 90°
• β: 94.45 ± 0.03°
• γ: 90°
• Cell volume: 3229 ± 2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1144
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections: 0.1744
• Weighted residual factors for significantly intense reflections: 0.1506
• Goodness-of-fit parameter for all reflections: 1.209
• Goodness-of-fit parameter for significantly intense reflections: 1.383
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No