Information card for entry 7011838

Structure parameters

• Formula: C42 H51 Cl2 P Ru
• Calculated formula: C42 H51 Cl2 P Ru
• SMILES: [Ru]12345(Cl)(Cl)([P](c6ccccc6)(c6ccccc6)c6ccccc6)[c]6([c]1([c]2([c]3([c]4([c]56CC)CC)CC)CC)CC)CC.c1ccccc1
• Title of publication: Synthesis, structures and dynamic NMR spectra of ??6-hexaethylbenzene complexes of ruthenium(0) and ruthenium(ii)
• Authors of publication: Baldwin, Richard; Bennett, Martin A.; Hockless, David C. R.; Pertici, Paolo; Verrazzani, Alessandra; Uccello Barretta, Gloria; Marchetti, Fabio; Salvadori, Piero
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 23
• Pages of publication: 4488
• a: 9.358 ± 0.002 Å
• b: 19.226 ± 0.001 Å
• c: 20.478 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3684.3 ± 0.9 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for all reflections: 0.0282
• Weighted residual factors for all reflections included in the refinement: 0.0274
• Goodness-of-fit parameter for all reflections: 1.448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.473
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No