Information card for entry 7110020

Structure parameters

• Formula: C21 H44 Cu I N P3 Ru
• Calculated formula: C21 H44 Cu I N P3 Ru
• SMILES: [Ru]1([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)N([Cu]1I)c1c(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: 10.4473 ± 0.0002 Å
• b: 16.2159 ± 0.0002 Å
• c: 17.587 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2979.46 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No