Information card for entry 4337170

Structure parameters

• Formula: C10 H40 B4 Ca N4
• Calculated formula: C10 H40 B4 Ca N4
• SMILES: [Ca]1234567([H][BH]([H]1)[N]([BH]([H]2)[H]3)(C)C)([H][BH]([H]6)[N]([BH]([H]4)[H]5)(C)C)[N](C)(C)CC[N]7(C)C
• Title of publication: Synthesis and characterization of calcium n,n-dimethylaminodiboranates as possible chemical vapor deposition precursors.
• Authors of publication: Dunbar, Andrew C.; Girolami, Gregory S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 888 - 896
• a: 10.1637 ± 0.0006 Å
• b: 14.9076 ± 0.0009 Å
• c: 13.7731 ± 0.0008 Å
• α: 90°
• β: 97.201 ± 0.004°
• γ: 90°
• Cell volume: 2070.4 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No