Information card for entry 4315587

Structure parameters

• Formula: C16 H35 B2 Mg N O
• Calculated formula: C16 H35 B2 Mg N O
• SMILES: [Mg]1234567([c]8([c]4([c]3([c]2([c]18C)C)C)C)C)([H][BH]([N]([BH]([H]6)[H]7)(C)C)[H]5)[O]1CCCC1
• Title of publication: Highly Volatile Magnesium Complexes with the Aminodiboranate Anion, a New Chelating Borohydride. Synthesis and Characterization of Mg(H3BNMe2BH3)2 and Related Compounds
• Authors of publication: Do Young Kim; Gregory S. Girolami
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4942 - 4948
• a: 11.309 ± 0.003 Å
• b: 14.569 ± 0.003 Å
• c: 12.255 ± 0.003 Å
• α: 90°
• β: 90.397 ± 0.004°
• γ: 90°
• Cell volume: 2019.1 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.3007
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 0.815
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No