Information card for entry 4085548

Structure parameters

• Chemical name: η^2^-1,5-Cyclooctadienyl)-dichlorido-(N,N,N'-trimethylethylenediamine)- ruthenium(II)
• Formula: C13 H26 Cl2 N2 Ru
• Calculated formula: C13 H26 Cl2 N2 Ru
• SMILES: [Ru]1234(Cl)(Cl)([N](CC[NH]1C)(C)C)[CH]1=[CH]2CC[CH]3=[CH]4CC1
• Title of publication: Atom-Economical Synthesis of the Versatile Ruthenium Precursor [TpRuCl(COD)] (Tp = Hydrotris(pyrazol-1-yl)borate) Discloses a Diamine Ligand Dealkylation Process
• Authors of publication: Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 5
• Pages of publication: 1001
• a: 25.543 ± 0.005 Å
• b: 8.7306 ± 0.0017 Å
• c: 14.199 ± 0.003 Å
• α: 90°
• β: 104.11 ± 0.03°
• γ: 90°
• Cell volume: 3070.9 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No