Information card for entry 7037301

Structure parameters

• Chemical name: (Naphtylpyridine)Chloro(p-cymene)(ruthenium)
• Formula: C25 H24 Cl N Ru
• Calculated formula: C25 H24 Cl N Ru
• SMILES: c1cccc2c3c(ccc4ccccc34)[Ru]34567([c]8([cH]3[cH]4[c]5([cH]6[cH]78)C)C(C)C)([n]12)Cl
• Title of publication: Regioselectivity in C-H activation: reagent control in cyclometallation of 2-(1-naphthyl)-pyridine.
• Authors of publication: Kondrashov, Mikhail; Provost, David; Wendt, Ola F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 2
• Pages of publication: 525 - 531
• a: 7.9093 ± 0.0004 Å
• b: 16.4319 ± 0.0008 Å
• c: 16.0856 ± 0.001 Å
• α: 90°
• β: 103.852 ± 0.006°
• γ: 90°
• Cell volume: 2029.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0677
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No