Information card for entry 4323805

Structure parameters

• Formula: C24 H62 Ba O6 P2 Si4
• Calculated formula: C24 H62 Ba O6 P2 Si4
• SMILES: [Ba]123([O](C)CC[O]1C)([O](C)CC[O]2C)([O](C)CC[O]3C)(P1[Si](CC[Si]1(C)C)(C)C)P1[Si](CC[Si]1(C)C)(C)C
• Title of publication: Synthesis of Tris(1,2-dimethoxyethane-O,O')barium Bis(2,2,5,5-tetramethyl-2,5-disilaphospholanide) and the Monomer-Dimer Equilibrium in Toluene Solution
• Authors of publication: M. Westerhausen; M. Hartmann; W. Schwarz
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 2421 - 2426
• a: 21.523 ± 0.001 Å
• b: 13.815 ± 0.001 Å
• c: 14.597 ± 0.001 Å
• α: 90°
• β: 113.73°
• γ: 90°
• Cell volume: 3973.3 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.0989
• Weighted residual factors for significantly intense reflections: 0.093
• Goodness-of-fit parameter for all reflections: 1.031
• Goodness-of-fit parameter for significantly intense reflections: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No