Information card for entry 4110272

Structure parameters

• Common name: 05151x
• Formula: C84 H24 B2 F40 N6 Ru
• Calculated formula: C84 H24 B2 F40 N6 Ru
• SMILES: [Ru]123([n]4cccc5c4c4[n]1cccc4cc5)([n]1cccc4c1c1[n]2cccc1cc4)[n]1cccc2c1c1[n]3cccc1cc2.[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Porous Crystalline Ruthenium Complexes Are Oxygen Sensors
• Authors of publication: Kari A. McGee; David J. Veltkamp; Brian J. Marquardt; Kent R. Mann
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 15092 - 15093
• a: 12.8314 ± 0.0006 Å
• b: 12.8314 ± 0.0006 Å
• c: 44.695 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7358.8 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No