Information card for entry 7129250

Structure parameters

• Formula: C74 H64 B2 N12 O4 W2
• Calculated formula: C74 H64 B2 N12 O4 W2
• 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: 22.718 ± 0.0016 Å
• b: 9.4131 ± 0.0004 Å
• c: 18.4744 ± 0.0016 Å
• α: 90°
• β: 112.982 ± 0.01°
• γ: 90°
• Cell volume: 3637.1 ± 0.5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0654
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No