Information card for entry 4346000

Structure parameters

• Formula: C12 H29 B2 F8 N5 O Ru S
• Calculated formula: C12 H25 B2 F8 N5 O Ru S
• SMILES: [Ru]123([NH]4CC[NH]1CC[NH]2CC[NH]3CC4)([N]#CC)[S](=O)(C)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Angle-Dependent Electronic Effects in 4,4'-Bipyridine-Bridged Ru3 Triangle and Ru4 Square Complexes
• Authors of publication: Louise A. Berben; Mary C. Faia; Nathan R. M. Crawford; Jeffrey R. Long
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Pages of publication: 6378 - 6386
• a: 9.0164 ± 0.001 Å
• b: 19.309 ± 0.002 Å
• c: 12.373 ± 0.0014 Å
• α: 90°
• β: 90.238 ± 0.002°
• γ: 90°
• Cell volume: 2154.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections: 0.1907
• Weighted residual factors for significantly intense reflections: 0.1754
• Goodness-of-fit parameter for all reflections: 1.08
• Goodness-of-fit parameter for significantly intense reflections: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No