Information card for entry 1519677

Structure parameters

• Formula: C99 H78 B6 F24 N24 Ru3
• Calculated formula: C99 H78 B6 F23.97 N24 Ru3
• SMILES: [Ru]123([n]4ccccc4c4[n]1ccc(c4)c1nc(nc(n1)c1cc4[n]([Ru]56([n]7ccccc47)([n]4ccccc4c4[n]5cccc4)[n]4ccccc4c4[n]6cccc4)cc1)c1cc4[n]([Ru]56([n]7c4cccc7)([n]4c(cccc4)c4[n]5cccc4)[n]4c(cccc4)c4[n]6cccc4)cc1)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].N#CC.N#CC.N#CC
• Title of publication: A family of Ru(ii) complexes built on a novel sexipyridine building block: synthesis, photophysical properties and the rare structural characterization of a triruthenium species.
• Authors of publication: Laramée-Milette, Baptiste; Lussier, Félix; Ciofini, Ilaria; Hanan, Garry S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 25
• Pages of publication: 11551 - 11561
• a: 22.8909 ± 0.0007 Å
• b: 13.6566 ± 0.0004 Å
• c: 35.3984 ± 0.0012 Å
• α: 90°
• β: 91.874 ± 0.002°
• γ: 90°
• Cell volume: 11060 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.2023
• Weighted residual factors for all reflections included in the refinement: 0.2174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No