Information card for entry 4323806

Structure parameters

• Formula: C48 H106 Ba2 O6 P4 Si8
• Calculated formula: C48 H106 Ba2 O6 P4 Si8
• SMILES: [Ba]123([P]4([Si](CC[Si]4(C)C)(C)C)[Ba]45([P]16[Si](CC[Si]6(C)C)(C)C)([P]13[Si](CC[Si]1(C)C)(C)C)([O](C)CC[O]5C)[O](C)CC[O]4C)(P1[Si](CC[Si]1(C)C)(C)C)[O](C)CC[O]2C.c1ccccc1.c1ccccc1
• 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: 12.563 ± 0.002 Å
• b: 20 ± 0.003 Å
• c: 29.869 ± 0.002 Å
• α: 90°
• β: 98.929 ± 0.009°
• γ: 90°
• Cell volume: 7413.9 ± 1.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections: 0.1334
• Weighted residual factors for significantly intense reflections: 0.1195
• Goodness-of-fit parameter for all reflections: 1.214
• Goodness-of-fit parameter for significantly intense reflections: 1.286
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No