Information card for entry 4315586

Structure parameters

• Formula: C8 H34 B4 Mg N2 O2
• Calculated formula: C8 H34 B4 Mg N2 O2
• SMILES: [Mg]12345([H][BH2][N]([BH2][H]1)(C)C)([H][BH]([H]2)[N]([BH]([H]3)[H]4)(C)C)[O](C)CC[O]5C
• 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: 22.5822 ± 0.0017 Å
• b: 13.656 ± 0.001 Å
• c: 14.7 ± 0.002 Å
• α: 90°
• β: 125.324 ± 0.003°
• γ: 90°
• Cell volume: 3698.6 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.0633
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No