Information card for entry 4068904

Structure parameters

• Formula: C34.25 H43.5 B Cl0.5 F4 N2 O Ru
• Calculated formula: C34.25 H43.5 B Cl0.5 F4 N2 O Ru
• Title of publication: Sequential Formation of [Ru(IPr)2(CO)H(OH2)]+and [Ru(IPr)(η6-C6H6)(CO)H]+upon Protonation of Ru(IPr)2(CO)H(OH) (IPr = 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)
• Authors of publication: Saker, Olly; Mahon, Mary F.; Warren, John E.; Whittlesey, Michael K.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 6
• Pages of publication: 1976
• a: 9.704 ± 0.004 Å
• b: 18.093 ± 0.008 Å
• c: 19.237 ± 0.008 Å
• α: 91.981 ± 0.005°
• β: 96.119 ± 0.005°
• γ: 93.59 ± 0.005°
• Cell volume: 3349 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1551
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.1845
• Weighted residual factors for all reflections included in the refinement: 0.2112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.6943 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No