Information card for entry 4315585

Structure parameters

• Formula: C8 H32 B4 Mg N2 O
• Calculated formula: C8 H32 B4 Mg N2 O
• SMILES: [Mg]123456([H][BH]([H]1)[N]([BH]([H]2)[H]3)(C)C)([H][BH]([H]6)[N]([BH]([H]4)[H]5)(C)C)[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: 10.0103 ± 0.0008 Å
• b: 17.5686 ± 0.0015 Å
• c: 10.5611 ± 0.0008 Å
• α: 90°
• β: 111.412 ± 0.005°
• γ: 90°
• Cell volume: 1729.2 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No