Information card for entry 4073196

Structure parameters

• Formula: C46 H47 F N2 O P2 Ru
• Calculated formula: C46 H47 F N2 O P2 Ru
• Title of publication: Synthesis and Reactivity of Ru(PPh3)3(CO)HF and the N-Heterocyclic Carbene Derivatives Ru(NHC)(PPh3)2(CO)HF
• Authors of publication: Reade, Steven P.; Nama, Devendrababu; Mahon, Mary F.; Pregosin, Paul S.; Whittlesey, Michael K.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 14
• Pages of publication: 3484
• a: 23.592 ± 0.0005 Å
• b: 9.965 ± 0.0002 Å
• c: 18.088 ± 0.0005 Å
• α: 90°
• β: 112.962 ± 0.001°
• γ: 90°
• Cell volume: 3915.44 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.253
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No