Information card for entry 7708364

Structure parameters

• Formula: C26 H18 B Br N6 O2 W
• Calculated formula: C26 H18 B Br N6 O2 W
• SMILES: [W]12([n]3n([BH](n4[n]1ccc4)n1[n]2ccc1)ccc3)(#Cc1c2ccccc2c(Br)c2c1cccc2)(C#[O])C#[O]
• Title of publication: Symmetric and Non-symmetric Anthracen-diyl Bis(alkylidynes)
• Authors of publication: Hill, Anthony; Frogley, Benjamin; Welsh, Steven S.
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 16.7252 ± 0.0007 Å
• b: 10.8608 ± 0.0003 Å
• c: 14.7832 ± 0.0007 Å
• α: 90°
• β: 115.75 ± 0.005°
• γ: 90°
• Cell volume: 2418.7 ± 0.2 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0314
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No