Information card for entry 7036334

Structure parameters

• Common name: PP-NO2
• Chemical name: PP-NO2
• Formula: C47 H43 F6 N4 O4 P3 Ru
• Calculated formula: C47 H43 F6 N4 O4 P3 Ru
• SMILES: c1cccc2c3cccc4c5cccc[n]5[Ru]5([n]12)([n]34)(N(=O)=O)[P](c1ccccc1)(c1ccccc1)c1ccccc1[P]5(c1ccccc1)c1ccccc1.CO.CO.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Syntheses and properties of phosphine-substituted ruthenium(ii) polypyridine complexes with nitrogen oxides.
• Authors of publication: Nakamura, Go; Kondo, Mio; Crisalli, Meredith; Lee, Sze Koon; Shibata, Akane; Ford, Peter C.; Masaoka, Shigeyuki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 39
• Pages of publication: 17189 - 17200
• a: 17.1049 ± 0.0006 Å
• b: 13.0763 ± 0.0006 Å
• c: 20.1547 ± 0.0008 Å
• α: 90°
• β: 106.853 ± 0.003°
• γ: 90°
• Cell volume: 4314.4 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• 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: 0.0719
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No