Information card for entry 4307626

Structure parameters

• Common name: (Py3P)Ru(Cl).CH3CN
• Formula: C23 H22 Cl N6 O2 Ru
• Calculated formula: C23 H22 Cl N6 O2 Ru
• SMILES: [Ru]1234(Cl)[n]5ccccc5CCN1C(=O)c1[n]2c(ccc1)C(=O)N3CCc1[n]4cccc1.N#CC
• Title of publication: Ruthenium Nitrosyls Derived from Polypyridine Ligands with Carboxamide or Imine Nitrogen Donor(s): Isoelectronic Complexes with Different NO Photolability
• Authors of publication: Michael J. Rose; Apurba K. Patra; Eric A. Alcid; Marylin M. Olmstead; Pradip K. Mascharak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2328 - 2338
• a: 10.1334 ± 0.0012 Å
• b: 12.7761 ± 0.0015 Å
• c: 17.245 ± 0.002 Å
• α: 90°
• β: 94.899 ± 0.005°
• γ: 90°
• Cell volume: 2224.5 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No