Information card for entry 7710822

Structure parameters

• Formula: C18 H22 B Br Mo N6 O2
• Calculated formula: C18 H22 B Br Mo N6 O2
• 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: 20.494 ± 0.0004 Å
• b: 13.7716 ± 0.0003 Å
• c: 7.9961 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2256.78 ± 0.07 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections: 0.1432
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No