Information card for entry 4301871

Structure parameters

• Formula: C46 H76 Cl4 N6 O4 Si2 Ta2
• Calculated formula: C46 H76 Cl4 N6 O4 Si2 Ta2
• SMILES: [Ta]123(O[Si](C(C)(C)C)(c4ccccc4)c4ccccc4)(O[Ta](O1)(O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)([N](CN2C)(C)C)(N(C[N]3(C)C)C)N(C)C)N(C)C.ClCCl.ClCCl
• Title of publication: Synthesis and Characterization of Siloxy, Aminoxy, and Oxo Complexes from the Reaction of a Tantalum Amide Silyl Complex with Oxygen
• Authors of publication: He Qiu; Shu-Jian Chen; Chang-Sheng Wang; Yun-Dong Wu; Ilia A. Guzei; Xue-Tai Chen; Zi-Ling Xue
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3073 - 3079
• a: 10.965 ± 0.003 Å
• b: 14.209 ± 0.003 Å
• c: 18.356 ± 0.004 Å
• α: 82.008 ± 0.004°
• β: 75.331 ± 0.003°
• γ: 89.577 ± 0.003°
• Cell volume: 2738.6 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0434
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No