Information card for entry 4079839

Structure parameters

• Formula: C58 H64 B2 Li2 O2 P4 S2
• Calculated formula: C58 H64 B2 Li2 O2 P4 S2
• SMILES: [S]12P(=C[P](c3ccccc3)(c3ccccc3)[BH2][H][Li]1([S]1P(=C[P](c3ccccc3)(c3ccccc3)[BH]3[H][Li]21([O]1CCCC1)[H]3)(c1ccccc1)c1ccccc1)[O]1CCCC1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of Phosphorus(V)-Stabilized Geminal Dianions. The Cases of Mixed P═X/P→BH3(X = S, O) and P═S/SiMe3Derivatives
• Authors of publication: Heuclin, Hadrien; Fustier-Boutignon, Marie; Ho, Samuel Ying-Fu; Goff, Xavier-Frédéric Le; Carenco, Sophie; So, Cheuk-Wai; Mézailles, Nicolas
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 2
• Pages of publication: 498
• a: 11.498 ± 0.001 Å
• b: 16.165 ± 0.001 Å
• c: 15.384 ± 0.001 Å
• α: 90°
• β: 105.124 ± 0.001°
• γ: 90°
• Cell volume: 2760.3 ± 0.3 ų
• Cell temperature: 396 ± 2 K
• Ambient diffraction temperature: 396 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No