Information card for entry 7008979

Structure parameters

• Chemical name: ditantalumdimethoxooctaisopropoxide
• Formula: C26 H62 O10 Ta2
• Calculated formula: C26 H62 O10 Ta2
• SMILES: C(O[Ta]1(OC(C)C)(OC(C)C)([O](C)[Ta]([O]1C)(OC(C)C)(OC(C)C)(OC(C)C)OC(C)C)OC(C)C)(C)C
• Title of publication: The solution thermolysis approach to molybdenum(V) alkoxides: synthesis, solid state and solution structures of the bimetallic alkoxides of molybdenum(V) and niobium(V), tantalum(V) and tungsten(VI)
• Authors of publication: Johansson, Anders; Roman, Magnus; Seisenbaeva, Gulaim A.; Kloo, Lars; Szabo, Zoltan; Kessler, Vadim G.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 3
• Pages of publication: 387
• a: 9.137 ± 0.002 Å
• b: 9.865 ± 0.002 Å
• c: 12.474 ± 0.003 Å
• α: 111.551 ± 0.004°
• β: 98.789 ± 0.004°
• γ: 104.757 ± 0.004°
• Cell volume: 972.6 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 0.798
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No