Information card for entry 7129133

Structure parameters

• Formula: C29 H36 Au Cl N2 O
• Calculated formula: C29 H36 Au Cl N2 O
• SMILES: [Au](Cl)C(c1n(cc[n+]1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=C=O
• Title of publication: Synthesis, structural characterization, and coordination chemistry of imidazole-based alkylidene ketenes.
• Authors of publication: Feuerstein, Wolfram; Varava, Paul; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 87
• Pages of publication: 11509 - 11512
• a: 20.61099 ± 0.00013 Å
• b: 12.54486 ± 0.00009 Å
• c: 10.50093 ± 0.00007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2715.14 ± 0.03 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No