Information card for entry 7702726

Structure parameters

• Formula: C64 H69 N4 Ni P3 S4
• Calculated formula: C64 H69 N4 Ni P3 S4
• 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: 11.057 ± 0.004 Å
• b: 12.973 ± 0.006 Å
• c: 23.023 ± 0.009 Å
• α: 78.69 ± 0.02°
• β: 75.88 ± 0.02°
• γ: 69.89 ± 0.02°
• Cell volume: 2985 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1907
• Residual factor for significantly intense reflections: 0.0867
• Weighted residual factors for significantly intense reflections: 0.2243
• Weighted residual factors for all reflections included in the refinement: 0.3316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No