Information card for entry 4339017

Structure parameters

• Common name: Bis(octahydrotriborato)bis(dimethylether)magnesium(II)
• Formula: C4 H28 B6 Mg O2
• Calculated formula: C4 H28 B6 Mg O2
• SMILES: [Mg]([H][BH]12[H][BH2]31[BH2]2[H]3)([H][BH]12[H][BH2]32[BH2]1[H]3)([O](C)C)[O](C)C
• Title of publication: Volatile magnesium octahydrotriborate complexes as potential CVD precursors to MgB2. Synthesis and characterization of Mg(B3H8)2 and its etherates.
• Authors of publication: Kim, Do Young; Yang, Yu; Abelson, John R.; Girolami, Gregory S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 22
• Pages of publication: 9060 - 9066
• a: 13.9644 ± 0.0019 Å
• b: 6.9088 ± 0.001 Å
• c: 16.034 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1546.9 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No