Information card for entry 4088550

Structure parameters

• Formula: C89 H95 B2 F24 N5 O Ru
• Calculated formula: C89 H95 B2 F24 N5 O Ru
• Title of publication: Isolation of [Ru(IPr)2(CO)H]+ (IPr = 1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene) and Reactivity toward E‒H (E = H, B) Bonds
• Authors of publication: Riddlestone, Ian M.; McKay, David; Gutmann, Matthias J.; Macgregor, Stuart A.; Mahon, Mary F.; Sparkes, Hazel A.; Whittlesey, Michael K.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 9
• Pages of publication: 1301
• a: 14.1539 ± 0.0003 Å
• b: 37.3721 ± 0.0008 Å
• c: 16.8357 ± 0.0003 Å
• α: 90°
• β: 91.631 ± 0.002°
• γ: 90°
• Cell volume: 8901.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No