Information card for entry 4304956

Structure parameters

• Formula: C48 H31 F12 N9 Ru2 S
• Calculated formula: C47.4 H29.6 F12 N9 Ru2 S
• Title of publication: Synthesis and Characterization of (3,1) Ru2(F3ap)4(NCS) and (3,1) Ru2(F3ap)3(F2Oap)(NCS) Where F3ap Is the 2-(2,4,6-Trifluoroanilino)pyridinate Anion
• Authors of publication: Minh Nguyen; Tuan Phan; Eric Van Caemelbecke; Xin Wei; John L. Bear; Karl M. Kadish
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4392 - 4400
• a: 28.6662 ± 0.0005 Å
• b: 28.6662 ± 0.0005 Å
• c: 23.0963 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18979.4 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No