Information card for entry 7110021

Structure parameters

• Formula: C26 H54 N3 P3 Ru
• Calculated formula: C26 H56 N3 P3 Ru
• SMILES: [Ru]([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)(NN1CCCCC1)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: 10.1761 ± 0.0014 Å
• b: 16.041 ± 0.002 Å
• c: 10.2601 ± 0.0014 Å
• α: 90°
• β: 109.369 ± 0.002°
• γ: 90°
• Cell volume: 1580 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No