Information card for entry 7122986

Structure parameters

• Formula: C96 H146 B2 Mg2 N8 O2
• Calculated formula: C96 H146 B2 Mg2 N8 O2
• 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: 36.3501 ± 0.0005 Å
• b: 12.34279 ± 0.00012 Å
• c: 20.1258 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9029.67 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0701
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No