Information card for entry 4307625

Structure parameters

• Common name: (Py3P)Ru(NO)(Cl)
• Formula: C21 H19 Cl N6 O3 Ru
• Calculated formula: C21 H19 Cl N6 O3 Ru
• SMILES: [Ru]123(Cl)([n]4ccccc4CCN1C(=O)c1[n]2c(ccc1)C(=O)N3CCc1ncccc1)N=O
• 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: 14.6611 ± 0.0005 Å
• b: 10.4632 ± 0.0004 Å
• c: 13.3745 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2051.68 ± 0.13 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0177
• Residual factor for significantly intense reflections: 0.0174
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No