Information card for entry 4311055

Structure parameters

• Formula: C54 H126 Cl2 O6 Si6 Ta2
• Calculated formula: C54 H126 Cl2 O6 Si6 Ta2
• SMILES: C(C)(C)[Si](C(C)C)(C(C)C)O[Ta]1(O[Si](C(C)C)(C(C)C)C(C)C)(O[Si](C(C)C)(C(C)C)C(C)C)[Cl][Ta](O[Si](C(C)C)(C(C)C)C(C)C)(O[Si](C(C)C)(C(C)C)C(C)C)(O[Si](C(C)C)(C(C)C)C(C)C)[Cl]1
• Title of publication: The Course of (R2R'SiO)3TaCl2 (R =tBu, R' = H, Me, Ph,tBu (silox); R =iPr, R' =tBu,iPr) Reduction Is Dependent on Siloxide Size
• Authors of publication: Andrew R. Chadeayne; Peter T. Wolczanski; Emil B. Lobkovsky
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3421 - 3432
• a: 13.9922 ± 0.0008 Å
• b: 25.2621 ± 0.0014 Å
• c: 21.2191 ± 0.0011 Å
• α: 90°
• β: 101.968 ± 0.001°
• γ: 90°
• Cell volume: 7337.3 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No