Information card for entry 7710830

Structure parameters

• Formula: C18.5 H23 Au B Br Cl2 Mo N6 O2
• Calculated formula: C18.5 H23 Au B Br Cl2 Mo N6 O2
• SMILES: [Au]1([Mo]23([n]4n([BH](n5[n]3c(cc5C)C)n3[n]2c(C)cc3C)c(cc4C)C)(C#[O])(C#[O])=C1Br)Cl.ClCCl
• 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: 19.9121 ± 0.0001 Å
• b: 10.8854 ± 0.0001 Å
• c: 23.8615 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5172.01 ± 0.06 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 9
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No