Information card for entry 4314071

Structure parameters

• Formula: C98 H98 B2 Cl2 O2 P6 Ru2
• Calculated formula: C98 H98 B2 Cl2 O2 P6 Ru2
• SMILES: [B]12(c3ccccc3)C[P](c3ccccc3)([Ru]3([P](C1)(c1ccccc1)c1ccccc1)([P](C2)(c1ccccc1)c1ccccc1)[Cl][Ru]12([P](C[B](c4ccccc4)(C[P]1(c1ccccc1)c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Cl]3)c1ccccc1.O1CCCC1.O1CCCC1
• 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: 13.043 ± 0.0011 Å
• b: 13.1103 ± 0.0011 Å
• c: 13.5126 ± 0.0011 Å
• α: 71.899 ± 0.001°
• β: 67.271 ± 0.001°
• γ: 82.508 ± 0.001°
• Cell volume: 2025.6 ± 0.3 ų
• Cell temperature: 96 ± 2 K
• Ambient diffraction temperature: 96 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.536
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No