Information card for entry 4314577

Structure parameters

• Formula: C50 H45 B F3 N5 O3 Ru S
• Calculated formula: C50 H45 B F3 N5 O3 Ru S
• Title of publication: Cyanide Anion Binding by a Triarylborane at the Outer Rim of a Cyclometalated Ruthenium(II) Cationic Complex
• Authors of publication: Casey R. Wade; François P. Gabbaï
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 714 - 720
• a: 14.37 ± 0.0004 Å
• b: 21.1565 ± 0.0007 Å
• c: 14.8607 ± 0.0005 Å
• α: 90°
• β: 103.511 ± 0.002°
• γ: 90°
• Cell volume: 4392.9 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• 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: 0.0809
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No