Information card for entry 7006808

Structure parameters

• Common name: (Ru(h6-cymene)(2-benzoylpyridine)Cl)BPh4
• Formula: C46 H43 B Cl N O Ru
• Calculated formula: C46 H43 B Cl N O Ru
• SMILES: c1cccc2C(c3ccccc3)=[O][Ru]34567([c]8([cH]3[cH]4[c]5([cH]6[cH]78)C(C)C)C)(Cl)[n]12.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Aggregation tendency and reactivity toward AgX of cationic half-sandwich ruthenium(II) complexes bearing neutral N,O-ligands.
• Authors of publication: Zuccaccia, Daniele; Bellachioma, Gianfranco; Cardaci, Giuseppe; Zuccaccia, Cristiano; Macchioni, Alceo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 16
• Pages of publication: 1963 - 1971
• a: 12.498 ± 0.002 Å
• b: 9.869 ± 0.002 Å
• c: 30.431 ± 0.002 Å
• α: 90°
• β: 93.523 ± 0.005°
• γ: 90°
• Cell volume: 3746.4 ± 1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0867
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No