Information card for entry 4337166

Structure parameters

• Formula: C12 H44 B4 Ca N2 O2
• Calculated formula: C12 H44 B4 Ca N2 O2
• SMILES: [Ca]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](CC)CC)[O](CC)CC
• 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: 19.88 ± 0.002 Å
• b: 8.5182 ± 0.001 Å
• c: 15.1491 ± 0.0016 Å
• α: 90°
• β: 112.735 ± 0.007°
• γ: 90°
• Cell volume: 2366.1 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No