Information card for entry 7028999

Structure parameters

• Formula: C25 H22 Au Cl N2
• Calculated formula: C25 H22 Au Cl N2
• SMILES: C1(N(C=CN1c1c(cc(cc1C)C)C)C1c2ccccc2c2ccccc12)=[Au]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: 27.8036 ± 0.0011 Å
• b: 8.4332 ± 0.0003 Å
• c: 18.978 ± 0.0007 Å
• α: 90°
• β: 102.572 ± 0.001°
• γ: 90°
• Cell volume: 4343.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No