Information card for entry 7020199

Structure parameters

• Formula: C90 H216 N24 O43 W12
• Calculated formula: C90 H216 N24 O43 W12
• 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: 17.8397 ± 0.0003 Å
• b: 18.8679 ± 0.0004 Å
• c: 22.7712 ± 0.0005 Å
• α: 81.07 ± 0.001°
• β: 72.206 ± 0.001°
• γ: 87.866 ± 0.001°
• Cell volume: 7209.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No