Information card for entry 7029000

Structure parameters

• Formula: C34 H35 Cl4 N2 Rh
• Calculated formula: C34 H35 Cl4 N2 Rh
• SMILES: C1(N(C=CN1C1c2ccccc2c2ccccc12)c1c(cc(cc1C)C)C)=[Rh]123([CH]4=[CH]1CC[CH]2=[CH]3CC4)Cl.C(Cl)(Cl)Cl
• Title of publication: Metal-assisted conversion of an N-ylide mesomeric betaine into its carbenic tautomer: generation of N-(fluoren-9-yl)imidazol-2-ylidene complexes.
• Authors of publication: Benhamou, Laure; Bastin, Stéphanie; Lugan, Noël; Lavigne, Guy; César, Vincent
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 11
• Pages of publication: 4474 - 4482
• a: 12.688 ± 0.003 Å
• b: 16.274 ± 0.003 Å
• c: 16.218 ± 0.003 Å
• α: 90°
• β: 106.45 ± 0.03°
• γ: 90°
• Cell volume: 3211.7 ± 1.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0458
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No