Information card for entry 4349336

Structure parameters

• Formula: C45 H76 Al B Mg N4 O
• Calculated formula: C45 H76 Al B Mg N4 O
• SMILES: [Al]([N]12[Mg]34([O]5CCCC5)[N](CC1)(CC[N]3(CC[N]4(CC2)C)C)C)(CC(C)C)(CC(C)C)CC(C)C.[BH](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 10.861 ± 0.002 Å
• b: 11.054 ± 0.002 Å
• c: 20.918 ± 0.004 Å
• α: 98.482 ± 0.004°
• β: 90.449 ± 0.004°
• γ: 117.07 ± 0.003°
• Cell volume: 2203.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1041
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.29
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No