Information card for entry 7101297

Structure parameters

• Formula: C40 H484 Fe30 Mo78 Na4 O523
• Calculated formula: C22.5 Fe30 Mo78.102 O472.935
• Title of publication: Formation of a "less stable" polyanion directed and protected by electrophilic internal surface functionalities of a capsule in growth: [{Mo6O19}2– {MoVI72FeIII30O252(ac)20(H2O)92}]4–
• Authors of publication: Müller, Achim; Todea, Ana Maria; Bögge, Hartmut; van Slageren, Joris; Dressel, Martin; Stammler, Anja; Rusu, Mariana
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2006
• Journal issue: 29
• Pages of publication: 3066 - 3068
• a: 54.607 ± 0.0017 Å
• b: 54.607 ± 0.0017 Å
• c: 60.034 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 155033 ± 10 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 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: 0.1851
• Residual factor for significantly intense reflections: 0.0975
• Weighted residual factors for significantly intense reflections: 0.2387
• Weighted residual factors for all reflections included in the refinement: 0.3491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No