Information card for entry 7011567

Structure parameters

• Formula: C24 H18 N2 Ni S10
• Calculated formula: C24 H18 N2 Ni S10
• SMILES: [Ni]123(SC4SC(=S)SC=4[S]1Cc1c(C[S]3C3SC(=S)SC=3S2)cccc1)([n]1ccccc1)[n]1ccccc1
• Title of publication: A new family of sulfur-rich ligands based on the dmit system: synthesis and metal complexation of 4‒4'-covalently bridged bis(2-thioxo-1,3-dithiol-5-thiolato) units
• Authors of publication: Allen, David W.; Berridge, Rory; Bricklebank, Neil; Cerrada, Elena; Light, Mark E.; Hursthouse, Michael B.; Laguna, Mariano; Moreno, Ana; Skabara, Peter J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 13
• Pages of publication: 2654
• a: 9.5662 ± 0.0006 Å
• b: 12.5254 ± 0.0008 Å
• c: 14.0131 ± 0.0008 Å
• α: 76.558 ± 0.003°
• β: 86.314 ± 0.003°
• γ: 67.969 ± 0.003°
• Cell volume: 1513.33 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No