Information card for entry 4307154

Structure parameters

• Formula: C42 H86 B Cl2 O3 Si3 Ta
• Calculated formula: C42 H86 B Cl2 O3 Si3 Ta
• SMILES: [Ta]1([Cl][B]1(Cl)c1ccccc1)(O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Evidence for Strong Tantalum-to-Boron Dative Interactions in (silox)3Ta(BH3) and (silox)3Ta(η2-B,Cl-BCl2Ph) (silox =tBu3SiO)1
• Authors of publication: Jeffrey B. Bonanno; Thomas P. Henry; Peter T. Wolczanski; Aaron W. Pierpont; Thomas R. Cundari
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1222 - 1232
• a: 13.151 ± 0.001 Å
• b: 13.199 ± 0.001 Å
• c: 17.441 ± 0.002 Å
• α: 102.02 ± 0.01°
• β: 96.16 ± 0.01°
• γ: 119.12 ± 0.01°
• Cell volume: 2508.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.056
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections: 0.1174
• Weighted residual factors for significantly intense reflections: 0.1047
• Goodness-of-fit parameter for all reflections: 1.04
• Goodness-of-fit parameter for significantly intense reflections: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No