Information card for entry 7110782

Structure parameters

• Common name: 99141
• Formula: C28 H61 B Ca O2 Si3
• Calculated formula: C28 H61 B Ca O2 Si3
• Title of publication: Unusual stability of the coordinated triethylborohydride anion in an alkaline-earth metal complex: crystallographic characterization of [Ca(HBEt3){1,2,4-C5(SiMe3)3H2}(thf)2]
• Authors of publication: Harvey, Melanie J.; Hanusa, Timothy P.; Pink, Maren
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 6
• Pages of publication: 489
• a: 22.306 ± 0.002 Å
• b: 9.9944 ± 0.0009 Å
• c: 16.0091 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3569 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections: 0.1316
• Weighted residual factors for significantly intense reflections: 0.1175
• Goodness-of-fit parameter for all reflections: 0.963
• Goodness-of-fit parameter for significantly intense reflections: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No