Information card for entry 4337168

Structure parameters

• Formula: C8 H34 B4 Ca N2 O2
• Calculated formula: C8 H34 B4 Ca N2 O2
• 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)[O](C)CC[O]7C
• 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: 9.5866 ± 0.001 Å
• b: 14.2788 ± 0.0014 Å
• c: 14.8732 ± 0.0016 Å
• α: 89.536 ± 0.007°
• β: 76.043 ± 0.007°
• γ: 77.185 ± 0.007°
• Cell volume: 1924.4 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.159
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 0.764
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No