Information card for entry 4314762

Structure parameters

• Common name: (NEt4)1.5(Na)0.5[(hybeb)Ru(NO)(OEt)].EtOH
• Formula: C72 H105 N9 Na O14 Ru2
• Calculated formula: C72 H105 N9 Na O14 Ru2
• SMILES: c12ccccc1C(N1c3c(N4C(c5c([O]6[Na]7([O]2[Ru]146(N=O)OCC)([OH]CC)([OH]CC)[O]1c2ccccc2C(N2c4ccccc4N4C(=O)c6c([O]7[Ru]124(N=O)[O]CC)cccc6)=O)cccc5)=O)cccc3)=O.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC
• 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: 11.827 ± 0.002 Å
• b: 18.817 ± 0.004 Å
• c: 33.222 ± 0.007 Å
• α: 90°
• β: 96.74 ± 0.03°
• γ: 90°
• Cell volume: 7342 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0626
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1184
• 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: Yes
• Has Fobs: No