Information card for entry 4337169

Structure parameters

• Formula: C10 H38 B4 Ca N2 O3
• Calculated formula: C10 H38 B4 Ca N2 O3
• SMILES: [BH]12[N](C)(C)[BH]3[H][Ca]45678([H]1)([H]2)([H]3)([H][BH]([H]4)[N]([BH]([H]5)[H]6)(C)C)[O](C)CC[O]7CC[O]8C
• 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: 10.2617 ± 0.0015 Å
• b: 11.28 ± 0.0016 Å
• c: 18.027 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2086.7 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1558
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 0.697
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No