Information card for entry 7103943

Structure parameters

• Formula: C18 H32 Cl N2 Ru
• Calculated formula: C18 H32 Cl N2 Ru
• SMILES: [Ru]12345(Cl)([N](=C(N1C(C)C)C)C(C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Organoruthenium(II) and (III) amidinates, (η5-C5Me5)Ru(η-amidinate) and (η5-C5Me5)RuCl(η-amidinate), as unique redox catalysts for the intramolecular Kharasch reactions: Facile access to a pyrrolizidine alkaloid skeleton under mild conditions
• Authors of publication: Nagashima, Hideo; Gondo, Mitsuru; Masuda, Satoshi; Kondo, Hideo; Yamaguchi, Yoshitaka; Matsubara, Kouki
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 3
• Pages of publication: 442 - 443
• a: 13.149 ± 0.002 Å
• b: 9.255 ± 0.003 Å
• c: 16.412 ± 0.003 Å
• α: 90°
• β: 90.473 ± 0.014°
• γ: 90°
• Cell volume: 1997.2 ± 0.8 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: 0.141
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No