Information card for entry 4070449

Structure parameters

• Formula: C43 H43 N2 O2 P Ru
• Calculated formula: C43 H43 N2 O2 P Ru
• SMILES: C(#[O])[Ru]12(C#[O])(=C3N(C=CN3CC[CH]1=[CH2]2)c1c(cc(cc1C)C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)C
• Title of publication: Chelation-Assisted Reactions of Phosphine- and Olefin-Tethered Imidazolium Derivatives and Their Affiliated N-Heterocyclic Carbenes with Roper’s Complex Ru(CO)2(PPh3)3
• Authors of publication: Benhamou, Laure; Wolf, Joffrey; César, Vincent; Labande, Agnès; Poli, Rinaldo; Lugan, Noël; Lavigne, Guy
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 24
• Pages of publication: 6981
• a: 9.7482 ± 0.0004 Å
• b: 16.8095 ± 0.0007 Å
• c: 22.2652 ± 0.0009 Å
• α: 90°
• β: 95.755 ± 0.002°
• γ: 90°
• Cell volume: 3630 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.031
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No