Information card for entry 7020198

Structure parameters

• Formula: C40 H96 N8 O16 W4
• Calculated formula: C40 H96 N8 O16 W4
• SMILES: [W]12(O[W]3(O[W]4(O[W]5(O1)(=O)(O[C@@H](C[N]5(C)C)CN(C)C)OC(C)C)(=O)(OC(C)C)O[C@H](C[N]4(C)C)CN(C)C)(=O)(OC(C)C)O[C@@H](C[N]3(C)C)CN(C)C)(=O)(OC(C)C)O[C@H](C[N]2(C)C)CN(C)C
• Title of publication: The synthesis of W-O-W μ-oxo clusters by hydrolysis of tungsten aminoalkoxides and their structural characterisation.
• Authors of publication: Choujaa, Hamid; Johnson, Andrew L.; Kociok-Köhn, Gabriele; Molloy, Kieran C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 37
• Pages of publication: 11393 - 11401
• a: 27.461 ± 0.0003 Å
• b: 14.692 ± 0.0002 Å
• c: 30.785 ± 0.0003 Å
• α: 90°
• β: 106.243 ± 0.004°
• γ: 90°
• Cell volume: 11924.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0559
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No