Information card for entry 4329405

Structure parameters

• Formula: C16 H52 B4 Ba N2 O6
• Calculated formula: C16 H52 B4 Ba N2 O6
• SMILES: [Ba]12345678([H][BH]([H]1)[N]([BH]([H]2)[H]3)(C)C)([H][BH]([H]4)[N]([BH3])(C)C)([O](C)CC[O]5CC[O]6C)[O](C)CC[O]7CC[O]8C
• 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: 9.147 ± 0.003 Å
• b: 17.141 ± 0.005 Å
• c: 18.377 ± 0.005 Å
• α: 90°
• β: 90.453 ± 0.004°
• γ: 90°
• Cell volume: 2881.2 ± 1.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections included in the refinement: 0.0442
• Goodness-of-fit parameter for all reflections included in the refinement: 0.847
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No