Information card for entry 4066916

Structure parameters

• Formula: C41 H63 Cl7 Ga N O P2 Ru
• Calculated formula: C41 H63 Cl7 Ga N O P2 Ru
• Title of publication: Interconversion of Ruthenium-O(CH2CH2PCy2)2Alkylidene and Alkylidyne Hydride Complexes
• Authors of publication: Boone, Michael P.; Brown, Christopher C.; Ancelet, Travis A.; Stephan, Douglas W.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 19
• Pages of publication: 4369
• a: 10.713 ± 0.002 Å
• b: 22.239 ± 0.005 Å
• c: 20.945 ± 0.004 Å
• α: 90°
• β: 100.093 ± 0.007°
• γ: 90°
• Cell volume: 4912.8 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0549
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No