Information card for entry 4132511

Structure parameters

• Formula: C24 H35.5 Au O0.25 P
• Calculated formula: C24 H35.5 Au O0.25 P
• SMILES: [Au]1(c2c(ccc(c2)C(C)(C)C)c2c1cc(cc2)C(C)(C)C)[P](C)(C)C.C(C)OCC
• 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: 17.3939 ± 0.0001 Å
• b: 25.8131 ± 0.0001 Å
• c: 21.8115 ± 0.0001 Å
• α: 90°
• β: 91.63°
• γ: 90°
• Cell volume: 9789.19 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No