Information card for entry 1565048

Structure parameters

• Formula: C21 H26 Au Cl2 P
• Calculated formula: C21 H26 Au Cl2 P
• SMILES: [Au](Cl)[P](Cc1cccc2c3c(Cl)cccc3c12)(C(C)(C)C)C(C)(C)C
• Title of publication: Chelation-Assisted C-C Bond Activation of Biphenylene by Gold(I) Halides
• Authors of publication: Beucher, Helene; Schoergenhumer, Johannes; Merino, Estíbaliz; Nevado, Cristina
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 11.61809 ± 0.00015 Å
• b: 14.3868 ± 0.0003 Å
• c: 14.5233 ± 0.0003 Å
• α: 64.798 ± 0.002°
• β: 88.554 ± 0.0014°
• γ: 88.8361 ± 0.0013°
• Cell volume: 2195.63 ± 0.08 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No