Information card for entry 7125100

Structure parameters

• Formula: C54 H64 B2 Mg O8
• Calculated formula: C54 H64 B2 Mg O8
• Title of publication: Magnesium hydridotriphenylborate [Mg(thf)₆][HBPh₃]₂: a versatile hydroboration catalyst.
• Authors of publication: Mukherjee, Debabrata; Shirase, Satoru; Spaniol, Thomas P.; Mashima, Kazushi; Okuda, Jun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 89
• Pages of publication: 13155 - 13158
• a: 11.3567 ± 0.0009 Å
• b: 12.2346 ± 0.001 Å
• c: 18.4353 ± 0.0015 Å
• α: 90°
• β: 108.188 ± 0.0013°
• γ: 90°
• Cell volume: 2433.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0476
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No