Information card for entry 7711914

Structure parameters

• Formula: C36 H130 Cl0.5 Fe3 N9 Na0.5 O88 P2 W15
• Calculated formula: C15.6 Fe3 N4.2 Na0.5001 O72.05 P2 W15
• Title of publication: Tris-decorated multi-iron polyoxotungstates.
• Authors of publication: Izarova, Natalya V.; Faassen, Fabian; Kögerler, Paul
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 546 - 550
• a: 16.376 ± 0.002 Å
• b: 16.376 ± 0.002 Å
• c: 25.646 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5956.2 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.1213
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.2255
• Weighted residual factors for all reflections included in the refinement: 0.2641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No