Information card for entry 7030160

Structure parameters

• Formula: C80 H151 Fe2 N20 O79.5 P2 W22
• Calculated formula: C80 H150 Fe2 N20 O79.5 P2 W22
• Title of publication: Organic-inorganic hybrid materials based on iron(III)-polyoxotungstates and 1-butyl-3-methylimidazolium cations.
• Authors of publication: Santos, Filipe M.; Brandão, Paula; Félix, Vítor; Domingues, M Rosário M; Amaral, João S; Amaral, Vítor S; Nogueira, Helena I. S.; Cavaleiro, Ana M. V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 39
• Pages of publication: 12145 - 12155
• a: 28.3677 ± 0.0009 Å
• b: 20.1004 ± 0.0006 Å
• c: 28.6804 ± 0.0009 Å
• α: 90°
• β: 117.952 ± 0.001°
• γ: 90°
• Cell volume: 14445.8 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0739
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No