Information card for entry 1557043

Structure parameters

• Formula: C46 H52 Au Cl N2
• Calculated formula: C46 H52 Au Cl N2
• SMILES: [Au](Cl)c1n(c([n+](c1)c1c(cccc1C(C)C)C(C)C)c1ccc(cc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C.c1ccccc1C
• Title of publication: A crystalline C5-protonated 1,3-imidazol-4-ylidene.
• Authors of publication: Rottschäfer, Dennis; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 13
• Pages of publication: 2027 - 2030
• a: 12.2795 ± 0.0003 Å
• b: 16.812 ± 0.0003 Å
• c: 19.2885 ± 0.0004 Å
• α: 90°
• β: 93.6946 ± 0.0019°
• γ: 90°
• Cell volume: 3973.7 ± 0.15 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No