Information card for entry 7122987

Structure parameters

• Formula: C68 H114 B2 Mg N4 O5
• Calculated formula: C68 H114 B2 Mg N4 O5
• 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: 12.0615 ± 0.0004 Å
• b: 13.3505 ± 0.0005 Å
• c: 21.4909 ± 0.0009 Å
• α: 83.123 ± 0.003°
• β: 77.706 ± 0.003°
• γ: 85.097 ± 0.003°
• Cell volume: 3350.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1195
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.26
• Weighted residual factors for all reflections included in the refinement: 0.2843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No