Information card for entry 4314072

Structure parameters

• Formula: C27 H53 B P3 Tl
• Calculated formula: C27 H53 B P3 Tl
• SMILES: [Tl]12[P](C[B](c3ccccc3)(C[P]1(C(C)C)C(C)C)C[P]2(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: The Strong-Field Tripodal Phosphine Donor, [PhB(CH2PiPr2)3]-, Provides Access to Electronically and Coordinatively Unsaturated Transition Metal Complexes
• Authors of publication: Theodore A. Betley; Jonas C. Peters
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5074 - 5084
• a: 9.1981 ± 0.0007 Å
• b: 9.9374 ± 0.0007 Å
• c: 17.5546 ± 0.0013 Å
• α: 79.07 ± 0.003°
• β: 80.225 ± 0.003°
• γ: 79.997 ± 0.003°
• Cell volume: 1535.9 ± 0.2 ų
• Cell temperature: 96 ± 2 K
• Ambient diffraction temperature: 96 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No