Information card for entry 7020095

Structure parameters

• Formula: C25 H28 Cl N O Ru
• Calculated formula: C25 H28 Cl N O Ru
• SMILES: [Ru]123456(Cl)([c]7(C)[cH]1[cH]2[c]3([cH]4[cH]57)C(C)C)c1ccccc1C(C)=[N]6c1ccc(cc1)OC
• Title of publication: Cyclometallation of arylimines and nitrogen-containing heterocycles via room-temperature C-H bond activation with arene ruthenium(ii) acetate complexes.
• Authors of publication: Li, Bin; Roisnel, Thierry; Darcel, Christophe; Dixneuf, Pierre H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 36
• Pages of publication: 10934 - 10937
• a: 9.2982 ± 0.0002 Å
• b: 9.9096 ± 0.0002 Å
• c: 13.0735 ± 0.0002 Å
• α: 100.558 ± 0.001°
• β: 109.718 ± 0.001°
• γ: 97.967 ± 0.001°
• Cell volume: 1088.32 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No