Information card for entry 4314041

Structure parameters

• Formula: C34 H58 B Li O2 P2
• Calculated formula: C34 H58 B Li O2 P2
• SMILES: [Li]1([P](C[B](c2ccccc2)(c2ccccc2)C[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)([O]1CCCC1)[O]1CCCC1
• Title of publication: Bis(phosphino)borates: A New Family of Monoanionic Chelating Phosphine Ligands
• Authors of publication: J. Christopher Thomas; Jonas C. Peters
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5055 - 5073
• a: 11.3226 ± 0.0009 Å
• b: 15.4574 ± 0.0012 Å
• c: 20.5142 ± 0.0016 Å
• α: 90°
• β: 94.704 ± 0.001°
• γ: 90°
• Cell volume: 3578.3 ± 0.5 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 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: 0.0776
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.361
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No