Information card for entry 4318761

Structure parameters

• Formula: C35 H27 F6 N6 O2 P Ru
• Calculated formula: C35 H27 F6 N6 O2 P Ru
• SMILES: [Ru]123([n]4ccccc4c4cccc[n]14)([n]1ccccc1c1cccc[n]21)[n]1c2ccccc2oc1c1ccccc1O3.[P](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: Redox and Spectroscopic Orbitals in Ru(II) and Os(II) Phenolate Complexes
• Authors of publication: Tia E. Keyes; Deirdre Leane; Robert J. Forster; Colin G. Coates; John J. McGarvey; Mark N. Nieuwenhuyzen; Egbert Figgemeier; Johannes G. Vos
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5721 - 5732
• a: 8.959 ± 0.002 Å
• b: 13.93 ± 0.002 Å
• c: 26.737 ± 0.005 Å
• α: 90°
• β: 92.07°
• γ: 90°
• Cell volume: 3334.6 ± 1.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No