Information card for entry 4060075

Structure parameters

• Formula: C27 H41 N O P2 Ru
• Calculated formula: C27 H41 N O P2 Ru
• SMILES: [RuH]12([P](c3c(ccc(c3)C)N2c2c([P]1(C(C)C)C(C)C)cc(cc2)C)(C(C)C)C(C)C)C#[O]
• Title of publication: Decarbonylation of Acetone and Carbonate at a Pincer-Ligated Ru Center
• Authors of publication: Remle Çelenligil-Çetin; Lori A. Watson; Chengyun Guo; Bruce M. Foxman; Oleg V. Ozerov
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Pages of publication: 186 - 189
• a: 16.6139 ± 0.0013 Å
• b: 10.773 ± 0.0011 Å
• c: 16.1339 ± 0.0011 Å
• α: 90°
• β: 102.756 ± 0.006°
• γ: 90°
• Cell volume: 2816.4 ± 0.4 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 6
• 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: 0.108
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.0967
• Weighted residual factors for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.0442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No