Information card for entry 4302407

Structure parameters

• Formula: C68 H91 O5 P2 Ta
• Calculated formula: C68 H91 O5 P2 Ta
• SMILES: c12c(c(C(C)(C)C)cc(C(C)(C)C)c1)O[Ta]134(O)(Oc5c(cc(cc5C(C)(C)C)C(C)(C)C)[P]23c2ccccc2)Oc2c(cc(cc2C(C)(C)C)C(C)(C)C)[P]4(c2ccccc2)c2c(c(C(C)(C)C)cc(C(C)(C)C)c2)O1
• Title of publication: Biphenolate Phosphine Complexes of Tantalum
• Authors of publication: Lan-Chang Liang; Liang-Chien Cheng; Tzung-Ling Tsai; Ching-Han Hu; Wen-Hsin Guo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 5697 - 5703
• a: 12.974 ± 0.0015 Å
• b: 31.433 ± 0.004 Å
• c: 22.293 ± 0.003 Å
• α: 90°
• β: 91.896 ± 0.011°
• γ: 90°
• Cell volume: 9086 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1682
• Residual factor for significantly intense reflections: 0.1116
• Weighted residual factors for significantly intense reflections: 0.3011
• Weighted residual factors for all reflections included in the refinement: 0.329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No