Information card for entry 7710823

Structure parameters

• Formula: C18 H22 Au B Cl2 Mo N6 O2
• Calculated formula: C18 H22 Au B Cl2 Mo N6 O2
• SMILES: [Au]1([Mo]23([n]4n(c(cc4C)C)[BH](n4[n]2c(C)cc4C)n2[n]3c(C)cc2C)(=C1Cl)(C#[O])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: 25.4253 ± 0.0003 Å
• b: 10.9689 ± 0.0001 Å
• c: 19.7589 ± 0.0002 Å
• α: 90°
• β: 108.022 ± 0.001°
• γ: 90°
• Cell volume: 5240.15 ± 0.1 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 8
• 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: 0.0447
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No