Information card for entry 1519719

Structure parameters

• Formula: C46 H38 B F24 O P Si
• Calculated formula: C46 H38 B F24 O P Si
• SMILES: [P+](O[Si](C)(C)c1ccccc1)(CC)(CC)CC.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Mechanism of the cooperative Si–H bond activation at Ru–S bonds
• Authors of publication: Stahl, Timo; Hrobárik, Peter; Königs, C. David F.; Ohki, Yasuhiro; Tatsumi, Kazuyuki; Kemper, Sebastian; Kaupp, Martin; Klare, Hendrik F. T.; Oestreich, Martin
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 7
• Pages of publication: 4324
• a: 16.929 ± 0.003 Å
• b: 18.161 ± 0.003 Å
• c: 16.113 ± 0.003 Å
• α: 90°
• β: 97.045 ± 0.004°
• γ: 90°
• Cell volume: 4916.5 ± 1.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.3038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No