Information card for entry 4079840

Structure parameters

• Formula: C58 H68 B2 Li2 O4 P4
• Calculated formula: C58 H68 B2 Li2 O4 P4
• SMILES: P1([O]2[Li]34([O](CC)CC)[O](P(=C[P](c5ccccc5)(c5ccccc5)[BH]([H]3)[H]4)(c3ccccc3)c3ccccc3)[Li]23([H][BH]([H]3)[P](C=1)(c1ccccc1)c1ccccc1)[O](CC)CC)(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: 11.184 ± 0.001 Å
• b: 12.134 ± 0.001 Å
• c: 12.367 ± 0.001 Å
• α: 111.622 ± 0.001°
• β: 114.649 ± 0.001°
• γ: 93.327 ± 0.001°
• Cell volume: 1372.8 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No