Information card for entry 4065758

Structure parameters

• Formula: C23 H44 Li N O P2 S2
• Calculated formula: C23 H44 Li N O P2 S2
• SMILES: [Li]12([O](CC)CC)[n]3c(cccc3CP(=[S]1)(C(C)C)C(C)C)C=P(S2)(C(C)C)C(C)C
• Title of publication: Synthesis of Heavier Group 14 Metal Compounds from 2,6-Lutidylbis(phosphoranosulfide)
• Authors of publication: Leung, Wing-Por; Kan, Kwok-Wai; Mak, Thomas C. W.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 8
• Pages of publication: 1890
• a: 11.834 ± 0.002 Å
• b: 14.601 ± 0.003 Å
• c: 16.589 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2866.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.131
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1585
• Weighted residual factors for all reflections included in the refinement: 0.1942
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No