Information card for entry 4066820

Structure parameters

• Formula: C66.5 H71.4 B Cl0.6 F24 O2 P2 Ru2
• Calculated formula: C66.5 H71.4 B Cl0.6 F24 O2 P2 Ru2
• Title of publication: Cationic Ruthenium Hydrido−Carbonyls Derived from Metallocene-Based Pincers: Unusual Rearrangements and H2Evolution with Formation of Cationic Ruthenium Metallocenylidenes
• Authors of publication: Koridze, Avthandil A.; Polezhaev, Alexander V.; Safronov, Sergey V.; Sheloumov, Alexey M.; Dolgushin, Fedor M.; Ezernitskaya, Mariam G.; Lokshin, Boris V.; Petrovskii, Pavel V.; Peregudov, Alexander S.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 19
• Pages of publication: 4360
• a: 13.2689 ± 0.0007 Å
• b: 13.6066 ± 0.0007 Å
• c: 20.5591 ± 0.0011 Å
• α: 79.46 ± 0.001°
• β: 75.353 ± 0.001°
• γ: 81.245 ± 0.001°
• Cell volume: 3508.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0676
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No