Information card for entry 4325358

Structure parameters

• Formula: C116 H117 B Co F15 N2 O4 Si U
• Calculated formula: C116 H89 B Co F15 N2 O4 Si U
• SMILES: CCCCCC.CCCCCC.[U]12(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)(O[B](c3c(F)c(F)c(F)c(F)c3F)(c3c(F)c(F)c(F)c(F)c3F)c3c(F)c(F)c(F)c(F)c3F)(OC(=CC(=[N]2c2cc(cc(c2)C(C)(C)C)C(C)(C)C)c2ccccc2)c2ccccc2)[N](c2cc(cc(c2)C(C)(C)C)C(C)(C)C)=C(c2ccccc2)C=C(O1)c1ccccc1.[Co]12345678([cH]9[cH]5[cH]4[cH]8[cH]39)[cH]3[cH]1[cH]7[cH]2[cH]63
• Title of publication: Borane-Mediated Silylation of a Metal-Oxo Ligand
• Authors of publication: David D. Schnaars; Guang Wu; Trevor W. Hayton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4695 - 4697
• a: 16.581 ± 0.002 Å
• b: 30.018 ± 0.004 Å
• c: 20.994 ± 0.003 Å
• α: 90°
• β: 90.449 ± 0.004°
• γ: 90°
• Cell volume: 10449 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1895
• Residual factor for significantly intense reflections: 0.1336
• Weighted residual factors for significantly intense reflections: 0.2331
• Weighted residual factors for all reflections included in the refinement: 0.2542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.293
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No