Information card for entry 7710824

Structure parameters

• Formula: C21 H29 B Br Mo N6 O2
• Calculated formula: C21 H29 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: 38.1509 ± 0.0008 Å
• b: 33.3659 ± 0.0008 Å
• c: 7.9763 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10153.3 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No