Information card for entry 7710820

Structure parameters

• Formula: C18 H22 Au B Br Cl N6 O2 W
• Calculated formula: C18 H22 Au B Br Cl N6 O2 W
• SMILES: [Au]1([W]23([n]4n(c(cc4C)C)[BH](n4[n]2c(cc4C)C)n2[n]3c(C)cc2C)(C#[O])(#[C]1Br)C#[O])Cl
• Title of publication: Heterobimetallic μ2-halocarbyne complexes
• Authors of publication: Burt, Liam K.; Dewhurst, Rian D.; Hill, Anthony F.; Kong, Richard Y.; Nahon, Emily E.; Onn, Chee S.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 25.3829 ± 0.0004 Å
• b: 10.9902 ± 0.0001 Å
• c: 19.8684 ± 0.0003 Å
• α: 90°
• β: 107.856 ± 0.002°
• γ: 90°
• Cell volume: 5275.57 ± 0.14 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 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: 0.0565
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No