Information card for entry 1565055

Structure parameters

• Formula: C87 H107 Au2 Cl15 P4
• Calculated formula: C87 H107 Au2 Cl15 P4
• 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: 23.48871 ± 0.00018 Å
• b: 14.9586 ± 0.00011 Å
• c: 29.4123 ± 0.0003 Å
• α: 90°
• β: 108.863 ± 0.0009°
• γ: 90°
• Cell volume: 9779.22 ± 0.15 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No