Information card for entry 7029001

Structure parameters

• Formula: C25 H22 Ag Br N2
• Calculated formula: C25 H22 Ag Br N2
• SMILES: C1(N(C=CN1C1c2ccccc2c2ccccc12)c1c(cc(cc1C)C)C)=[Ag]Br
• 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: 10.4907 ± 0.0013 Å
• b: 11.3717 ± 0.001 Å
• c: 20.084 ± 0.0019 Å
• α: 101.272 ± 0.008°
• β: 102.156 ± 0.012°
• γ: 93.563 ± 0.009°
• Cell volume: 2283.7 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No