Information card for entry 1572645

Structure parameters

• Formula: C22 H20 Au Cl4 O2 P
• Calculated formula: C22 H20 Au Cl4 O2 P
• SMILES: [Au]12(Oc3c(c(c(c(c3Cl)Cl)Cl)Cl)O1)c1c3c(cccc3ccc1)[P]2(C(C)C)C(C)C
• Title of publication: Catechol/<i>o</i>-benzoquinone exchange at gold(iii).
• Authors of publication: León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 40
• Pages of publication: 16651 - 16659
• a: 15.3901 ± 0.0011 Å
• b: 15.6458 ± 0.0009 Å
• c: 19.214 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4626.5 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0247
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No