Information card for entry 7122984

Structure parameters

• Formula: C44 H68 B2 Mg N4
• Calculated formula: C44 H68 B2 Mg N4
• 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: 11.87 ± 0.002 Å
• b: 15.682 ± 0.003 Å
• c: 11.922 ± 0.002 Å
• α: 90°
• β: 90 ± 0.03°
• γ: 90°
• Cell volume: 2219.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No