Information card for entry 7051260

Structure parameters

• Formula: C58 H55 F6 N O P4 Ru
• Calculated formula: C58 H55 F6 N O P4 Ru
• SMILES: [Ru]12345([P](C(C([c]65[cH]4[cH]3[cH]2[cH]16)(C)C)c1ncccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](OCC)(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: 10.9743 ± 0.0011 Å
• b: 12.4718 ± 0.0014 Å
• c: 21.493 ± 0.003 Å
• α: 92.052 ± 0.014°
• β: 94.429 ± 0.014°
• γ: 91.384 ± 0.013°
• Cell volume: 2930 ± 0.6 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.16
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.1836
• Weighted residual factors for all reflections included in the refinement: 0.2124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No