Information card for entry 4336298

Structure parameters

• Formula: C19 H35 Cl N3 O P Ru
• Calculated formula: C19 H35 Cl N3 O P Ru
• SMILES: [Ru]12([P](Cc3[n]1c(ccc3)C[N]2(CC)CC)(C(C)(C)C)C(C)(C)C)(Cl)N=O
• Title of publication: Ru(0) and Ru(II) Nitrosyl Pincer Complexes: Structure, Reactivity, and Catalytic Activity
• Authors of publication: Eran Fogler; Mark A. Iron; Jing Zhang; Yehoshoa Ben-David; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; David Milstein
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11469 - 11479
• a: 14.945 ± 0.002 Å
• b: 14.945 ± 0.002 Å
• c: 20.484 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3962.2 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No