Information card for entry 4119990

Structure parameters

• Formula: C48 H48 Au2 Cl2 N8 O8
• Calculated formula: C48 H48 Au2 Cl2 N8 O8
• Title of publication: Postsynthetic Modification of Dicarbene-Derived Metallacycles via Photochemical [2 + 2] Cycloaddition
• Authors of publication: Ying-Feng Han; Guo-Xin Jin; F. Ekkehardt Hahn
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 9263 - 9266
• a: 9.0716 ± 0.0004 Å
• b: 41.7167 ± 0.0017 Å
• c: 14.2731 ± 0.0006 Å
• α: 90°
• β: 100.183 ± 0.002°
• γ: 90°
• Cell volume: 5316.4 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.0866
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1877
• Weighted residual factors for all reflections included in the refinement: 0.1982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No