Information card for entry 4085573

Structure parameters

• Formula: C22 H47 B Ba O2 P Si2
• Calculated formula: C22 H46.8 B Ba O2 P Si2
• Title of publication: Structural Diversity in Alkaline Earth Metal Complexes of a Phosphine-Borane-Stabilized 1,3-Dicarbanion
• Authors of publication: Izod, Keith; Wills, Corinne; El-Hamruni, Salima; Harrington, Ross W.; Waddell, Paul G.; Probert, Michael R.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2406
• a: 10.8258 ± 0.0003 Å
• b: 11.851 ± 0.0004 Å
• c: 14.1952 ± 0.0004 Å
• α: 100.457 ± 0.003°
• β: 103.592 ± 0.003°
• γ: 116.449 ± 0.003°
• Cell volume: 1496.77 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No