Information card for entry 4314763

Structure parameters

• Common name: (PPh4)[(hypyb)Ru(NO)(OEt)].MeCN
• Formula: C47 H40 N5 O5 P Ru
• Calculated formula: C47 H40 N5 O5 P Ru
• Title of publication: Ruthenium Nitrosyls Derived from Tetradentate Ligands Containing Carboxamido-N and Phenolato-O Donors: Syntheses, Structures, Photolability, and Time Dependent Density Functional Theory Studies
• Authors of publication: Nicole L. Fry; Michael J. Rose; David L. Rogow; Crystal Nyitray; Manpreet Kaur; Pradip K. Mascharak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1487 - 1495
• a: 9.9537 ± 0.0014 Å
• b: 12.5967 ± 0.0017 Å
• c: 17.043 ± 0.002 Å
• α: 86.677 ± 0.002°
• β: 73.852 ± 0.002°
• γ: 86.616 ± 0.002°
• Cell volume: 2047.1 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No