Information card for entry 7029002

Structure parameters

• Formula: C33 H33 N2 Rh
• Calculated formula: C33 H33 N2 Rh
• SMILES: C12N(C=CN1C1(c3ccccc3c3ccccc13)[Rh]134=2[CH]2CC[CH]1=[CH]3CC[CH]4=2)c1c(cc(cc1C)C)C
• 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: 17.2079 ± 0.0008 Å
• b: 9.2276 ± 0.0009 Å
• c: 17.4436 ± 0.0011 Å
• α: 90°
• β: 103.472 ± 0.004°
• γ: 90°
• Cell volume: 2693.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0278
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No