Information card for entry 7110019

Structure parameters

• Formula: C21 H44 N P3 Ru
• Calculated formula: C21 H44 N P3 Ru
• SMILES: [Ru]([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)=Nc1c(cccc1C(C)C)C(C)C
• Title of publication: A 4-coordinate Ru(II) imido: unusual geometry, synthesis, and reactivity
• Authors of publication: Amrendra K. Singh; Benjamin G. Levine; Richard J. Staples; Aaron L. Odom
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 10799
• a: 13.9737 ± 0.0011 Å
• b: 11.6625 ± 0.0009 Å
• c: 17.3011 ± 0.0013 Å
• α: 90°
• β: 109.767 ± 0.001°
• γ: 90°
• Cell volume: 2653.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No