Information card for entry 7111547

Structure parameters

• Formula: C29 H36 Cl N2 O Rh
• Calculated formula: C29 H36 Cl N2 O Rh
• SMILES: [Rh]123(Cl)(=C4N(C(=O)CN4c4c(cc(cc4C)C)C)c4c(cc(cc4C)C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: Imidazol-2-ylidene-4-olate: an anionic N-heterocyclic carbene pre-programmed for further derivatization
• Authors of publication: Benhamou, Laure; César, Vincent; Gornitzka, Heinz; Lugan, Noël; Lavigne, Guy
• Journal of publication: Chemical Communications
• Year of publication: 2009
• Journal issue: 31
• Pages of publication: 4720 - 4722
• a: 12.5523 ± 0.0005 Å
• b: 13.1214 ± 0.0004 Å
• c: 17.4887 ± 0.0007 Å
• α: 73.019 ± 0.002°
• β: 89.92 ± 0.001°
• γ: 77.013 ± 0.002°
• Cell volume: 2678.02 ± 0.18 ų
• Cell temperature: 176 ± 2 K
• Ambient diffraction temperature: 176 ± 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: 0.0432
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No