Information card for entry 4132512

Structure parameters

• Formula: C29 H40 Au O4 P
• Calculated formula: C29 H40 Au O4 P
• SMILES: c12cc(ccc1c1ccc(cc1[Au]2(/C(=C\C(=O)OC)C(=O)OC)[P](C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Unlocking Structural Diversity in Gold(III) Hydrides: Unexpected Interplay of cis/ trans-Influence on Stability, Insertion Chemistry, and NMR Chemical Shifts.
• Authors of publication: Rocchigiani, Luca; Fernandez-Cestau, Julio; Chambrier, Isabelle; Hrobárik, Peter; Bochmann, Manfred
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 26
• Pages of publication: 8287 - 8302
• a: 10.3057 ± 0.0001 Å
• b: 14.2256 ± 0.0001 Å
• c: 19.7173 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2890.65 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No