Information card for entry 4329584

Structure parameters

• Formula: C6 H36 B6 N3 Sm
• Calculated formula: C6 H36 B6 N3 Sm
• SMILES: [Sm]123456789([H][BH]([H]1)[N]([BH]([H]2)[H]3)(C)C)([H][BH]([H]6)[N]([BH]([H]4)[H]5)(C)C)[H][BH]([H]7)[N]([BH]([H]8)[H]9)(C)C
• Title of publication: Lanthanide N,N-Dimethylaminodiboranates as a New Class of Highly Volatile Chemical Vapor Deposition Precursors
• Authors of publication: Scott R. Daly; Do Young Kim; Gregory S. Girolami
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7050 - 7065
• a: 15.8615 ± 0.0006 Å
• b: 10.1549 ± 0.0004 Å
• c: 11.3788 ± 0.0004 Å
• α: 90°
• β: 96.744 ± 0.001°
• γ: 90°
• Cell volume: 1820.12 ± 0.12 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.0321
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No