Information card for entry 1540543

Structure parameters

• Formula: C60 H98 Au N2 O3.5
• Calculated formula: C46 H70 Au N2
• Title of publication: Isolation of cationic and neutral (allenylidene)(carbene) and bis(allenylidene)gold complexes
• Authors of publication: Jin, Liqun; Melaimi, Mohand; Kostenko, Arseni; Karni, Miriam; Apeloig, Yitzhak; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 150
• a: 20.0066 ± 0.0006 Å
• b: 16.2975 ± 0.0005 Å
• c: 20.6068 ± 0.0006 Å
• α: 90°
• β: 119.023 ± 0.0014°
• γ: 90°
• Cell volume: 5875.3 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0566
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No