Information card for entry 7036333

Structure parameters

• Common name: cis-NO2'
• Chemical name: cis-NO2'
• Formula: C61 H48.5 B N5.5 O2 P Ru
• Calculated formula: C61 H48.5 B N5.5 O2 P Ru
• SMILES: [n]12[Ru]34([n]5c(c2cccc1)cccc5c1[n]3cccc1)([n]1cccc2cccc([P]4(c3ccccc3)c3ccccc3)c12)N(=O)=O.N#CC.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 10.2764 ± 0.0002 Å
• b: 21.2343 ± 0.0004 Å
• c: 24.3802 ± 0.0004 Å
• α: 77.006 ± 0.001°
• β: 78.953 ± 0.001°
• γ: 74.936 ± 0.001°
• Cell volume: 4955.3 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No