Information card for entry 7702728

Structure parameters

• Formula: C45 H33 Ni P3 S5
• Calculated formula: C45 H33 Ni P3 S5
• Title of publication: Nickel dithiolene complexes as a source of a new family of S,S-dinegative chiral ligands R4btimdt = 5,5′-bis(1,3-dialkyl-4-imidazolidine-2-thione-4-thiolate)
• Authors of publication: Bigoli, Francesco; Curreli, Simona; Deplano, Paola; Leoni, Laura; Mercuri, Maria Laura; Pellinghelli, Maria Angela; Serpe, Angela; Trogu, Emanuele F.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 9
• Pages of publication: 1985
• a: 9.541 ± 0.006 Å
• b: 21.873 ± 0.005 Å
• c: 19.73 ± 0.005 Å
• α: 90°
• β: 99.97 ± 0.02°
• γ: 90°
• Cell volume: 4055 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0709
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1715
• Weighted residual factors for all reflections included in the refinement: 0.1842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No