Information card for entry 4350249

Structure parameters

• Formula: C52 H40 F6 N4 O8 Ru S2
• Calculated formula: C52 H40 F6 N4 O8 Ru S2
• Title of publication: A new family of mono- and dicarboxylic ruthenium complexes [Ru(DIP)2(L2)]2+ (DIP = 4,7-diphenyl-1,10-phenanthroline): synthesis, solution behavior, and X-ray molecular structure of trans-[Ru(DIP)2(MeOH)2][OTf]2.
• Authors of publication: Caspar, Regis; Cordier, Christine; Waern, Jenny B.; Guyard-Duhayon, Carine; Gruselle, Michel; Le Floch, Pascal; Amouri, Hani
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 10
• Pages of publication: 4071 - 4078
• a: 13.063 ± 0.003 Å
• b: 11.381 ± 0.003 Å
• c: 17.4795 ± 0.0017 Å
• α: 90°
• β: 104.294 ± 0.012°
• γ: 90°
• Cell volume: 2518.2 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections: 0.0936
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No