Information card for entry 4314070

Structure parameters

• Formula: C55 H50 B Cl P4 Ru
• Calculated formula: C55 H50 B Cl P4 Ru
• SMILES: [Ru]12(Cl)([P](C[B](c3ccccc3)(C[P]1(c1ccccc1)c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](C)(C)C.Cc1ccccc1
• 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: 19.215 ± 0.003 Å
• b: 12.228 ± 0.0019 Å
• c: 20.5 ± 0.003 Å
• α: 90°
• β: 107.805 ± 0.002°
• γ: 90°
• Cell volume: 4586 ± 1.2 ų
• Cell temperature: 96 ± 2 K
• Ambient diffraction temperature: 96 ± 2 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: 0.1195
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No