Information card for entry 7051259

Structure parameters

• Formula: C44 H40 F6 N P3 Ru
• Calculated formula: C44 H40 F6 N P3 Ru
• SMILES: [Ru]123456([P](C(C([c]72[cH]3[cH]4[cH]5[cH]67)(C)C)c2[n]1cccc2)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Optically active transition metal complexes. Part 123: new chiral half-sandwich ruthenium complexes, in which the arene ligand is tethered to a PN ligand
• Authors of publication: H. Brunner; C. Valério; M. Zabel
• Journal of publication: New J. Chem.
• Year of publication: 2000
• Journal volume: 24
• Journal issue: 5
• Pages of publication: 275 - 279
• a: 10.8328 ± 0.0012 Å
• b: 24.56 ± 0.002 Å
• c: 17.0067 ± 0.0015 Å
• α: 90°
• β: 101.074 ± 0.012°
• γ: 90°
• Cell volume: 4440.4 ± 0.7 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.1849
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 0.843
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No