Information card for entry 7041669

Structure parameters

• Formula: C54 H106 Al2 Mg2 N6
• Calculated formula: C54 H106 Al2 Mg2 N6
• Title of publication: Molecular magnesium hydrides supported by an anionic triazacyclononane-type ligand.
• Authors of publication: Schnitzler, S.; Cui, P.; Spaniol, T. P.; Okuda, J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 6
• Pages of publication: 1761 - 1765
• a: 15.539 ± 0.005 Å
• b: 15.329 ± 0.005 Å
• c: 24.985 ± 0.009 Å
• α: 90°
• β: 101.664 ± 0.007°
• γ: 90°
• Cell volume: 5828 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1068
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.1787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No