Information card for entry 7122989

Structure parameters

• Formula: C55 H76 B Mg N5
• Calculated formula: C55 H76 B Mg N5
• Title of publication: Cationic Magnesium Hydride [MgH]+ Stabilized by an NNNN-Type Macrocycle
• Authors of publication: Okuda, Jun; Lemmerz, Lara E.; Mukherjee, Debabrata; Spaniol, Thomas Paul; Laurent, Maron; Menard, Gabriel; Wong, Anthony
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 19.1374 ± 0.0013 Å
• b: 11.8659 ± 0.0008 Å
• c: 21.682 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4923.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No