Information card for entry 4302788

Structure parameters

• Formula: C66 H68 Bi2 O24 Ta2
• Calculated formula: C66 H68 Bi2 O24 Ta2
• SMILES: [Bi]12(c3ccccc3)([O]=C3c4ccccc4O[Ta]4(Oc5c(cccc5)C(O[Bi]5(c6ccccc6)([O]=C6c7c(cccc7)O[Ta]7([O]=C(O2)c2c(cccc2)O7)(O6)(OCC)OCC)(OC(=[O]5)c2c(cccc2)O)[OH]CC)=[O]4)(O3)(OCC)OCC)(OC(=[O]1)c1c(cccc1)O)[OH]CC
• Title of publication: Selective Arylation Reactions of Bismuth-Transition Metal Salicylate Complexes
• Authors of publication: Vitalie Stavila; John H. Thurston; Kenton H. Whitmire
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6945 - 6951
• a: 13.121 ± 0.003 Å
• b: 19.459 ± 0.004 Å
• c: 14.121 ± 0.003 Å
• α: 90°
• β: 103.99 ± 0.03°
• γ: 90°
• Cell volume: 3498.5 ± 1.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0296
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No