Information card for entry 4329398

Structure parameters

• Formula: C12 H44 B4 Ba N2 O2
• Calculated formula: C12 H44 B4 Ba N2 O2
• SMILES: [BH3][N]([BH3])(C)C.[Ba]([O](CC)CC)([O](CC)CC).[BH3][N]([BH3])(C)C
• Title of publication: Synthesis and Structural Diversity of Barium (N,N-Dimethylamino)diboranates
• Authors of publication: Scott R. Daly; Brian J. Bellott; Mark A. Nesbit; Gregory S. Girolami
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 6449 - 6459
• a: 21.8381 ± 0.0012 Å
• b: 11.042 ± 0.0006 Å
• c: 10.771 ± 0.0006 Å
• α: 90°
• β: 117.704 ± 0.003°
• γ: 90°
• Cell volume: 2299.5 ± 0.2 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: 0.0462
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No