Information card for entry 7121665

Structure parameters

• Formula: C53 H49 B F20 Mg N4 O2
• Calculated formula: C53 H49 B F20 Mg N4 O2
• 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: 9.435 ± 0.002 Å
• b: 27.598 ± 0.006 Å
• c: 10.589 ± 0.003 Å
• α: 90°
• β: 105.636 ± 0.014°
• γ: 90°
• Cell volume: 2655.2 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1136
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No