Information card for entry 7121666

Structure parameters

• Formula: C82 H78 B2 F40 Mg2 N8 O4
• Calculated formula: C82 H78 B2 F40 Mg2 N8 O4
• Title of publication: A disguised hydride in a butylmagnesium cation.
• Authors of publication: Banerjee, Sumanta; Ankur, ?; Andrews, Alex; Venugopal, Ajay
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 45
• Pages of publication: 5788 - 5791
• a: 12.2624 ± 0.0004 Å
• b: 22.472 ± 0.0007 Å
• c: 15.7828 ± 0.0006 Å
• α: 90°
• β: 92.505 ± 0.001°
• γ: 90°
• Cell volume: 4345 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1286
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 0.805
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No