Information card for entry 7129247

Structure parameters

• Formula: C59.5 H76.5 Au B Cl4.5 N6 O2 P W
• Calculated formula: C59.5 H76.502 Au B Cl4.506 N6 O2 P W
• Title of publication: Bimetallic ethynylanthracenyl functionalised carbynes
• Authors of publication: Hill, Anthony; Frogley, Benjamin; Welsh, Steven S.
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 20.7071 ± 0.0009 Å
• b: 16.1172 ± 0.0004 Å
• c: 21.1538 ± 0.0009 Å
• α: 90°
• β: 114.172 ± 0.005°
• γ: 90°
• Cell volume: 6440.9 ± 0.5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 9
• 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: 0.0861
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No