Information card for entry 4349334

Structure parameters

• Formula: C46 H104 Al2 Mg2 N8 O
• Calculated formula: C46 H104 Al2 Mg2 N8 O
• SMILES: C1C[N]2(CC[N]3(CC[N]4(CC[N]1([Al](CC(C)C)(CC(C)C)CC(C)C)[Mg]234O[Mg]123[N]4(CC[N]1(CC[N]2(CC[N]3(CC4)C)C)C)[Al](CC(C)C)(CC(C)C)CC(C)C)C)C)C
• Title of publication: Reactivity of a Molecular Magnesium Hydride Featuring a Terminal Magnesium-Hydrogen Bond.
• Authors of publication: Schnitzler, Silvia; Spaniol, Thomas P.; Okuda, Jun
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 24
• Pages of publication: 12997 - 13006
• a: 17.0436 ± 0.0016 Å
• b: 16.876 ± 0.0016 Å
• c: 9.3311 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2683.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No