Information card for entry 4074182

Structure parameters

• Formula: C58 H60 Li4 O2 P4 S4
• Calculated formula: C58 H60 Li4 O2 P4 S4
• SMILES: [S]12=P([C]34=P([S]5[Li]63[S]([Li]2[O](CC)CC)=P([C]26=P([S]([Li]142)[Li]5[O](CC)CC)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Phosphorus-Stabilized Geminal Dianions
• Authors of publication: Cantat, Thibault; Ricard, Louis; Le Floch, Pascal; Mézailles, Nicolas
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 21
• Pages of publication: 4965
• a: 16.677 ± 0.001 Å
• b: 13.108 ± 0.001 Å
• c: 26.454 ± 0.001 Å
• α: 90°
• β: 100.98 ± 0.001°
• γ: 90°
• Cell volume: 5677 ± 0.6 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.1828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No