Information card for entry 4132513

Structure parameters

• Formula: C48 H67 Au F5 N O4
• Calculated formula: C48 H67 Au F5 N O4
• SMILES: O=C(OC)/C(=C/C(=O)OC)[Au]1(c2cc(ccc2c2ccc(cc12)C(C)(C)C)C(C)(C)C)c1c(F)c(F)c(F)c(F)c1F.C(CCC)[N+](CCCC)(CCCC)CCCC
• 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: 20.9189 ± 0.0002 Å
• b: 17.0445 ± 0.0002 Å
• c: 26.4122 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9417.33 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No