Information card for entry 4110274

Structure parameters

• Common name: 06246b
• Formula: C30 H24 B2 F8 N6 Ru
• Calculated formula: C30 H24 B2 F8 N6 Ru
• SMILES: [Ru]123([n]4ccccc4c4cccc[n]14)([n]1ccccc1c1cccc[n]21)[n]1ccccc1c1cccc[n]31.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• 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: 22.196 ± 0.005 Å
• b: 42.772 ± 0.009 Å
• c: 13.683 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12990 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.1067
• Residual factor for significantly intense reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.2428
• Weighted residual factors for all reflections included in the refinement: 0.2531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No