Information card for entry 7029384

Structure parameters

• Formula: Fe13 H131 Na30 O300 P8 W60
• Calculated formula: Fe13 Na9.6 O297.65 P8 W60
• Title of publication: Assembly and core transformation properties of two tetrahedral clusters: [Fe(III)13P8W60O227(OH)15(H2O)2](30-) and [Fe(III)13P8W60O224(OH)12(PO4)4](33-).
• Authors of publication: Molina, Pedro I.; Miras, Haralampos N.; Long, De-Liang; Cronin, Leroy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 13
• Pages of publication: 5190 - 5199
• a: 29.7437 ± 0.001 Å
• b: 29.7437 ± 0.001 Å
• c: 76.26 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 58428 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No