Information card for entry 7114767

Structure parameters

• Formula: C30 H365 Fe30 Mo84 O482 P
• Calculated formula: C24 Fe30 Mo84 O437 P
• Title of publication: Generation of cluster capsules (Ih) from decomposition products of a smaller cluster (Keggin-Td) while surviving ones get encapsulated: species with core‒shell topology formed by a fundamental symmetry-driven reaction
• Authors of publication: Müller, Achim; Das, Samar K.; Bögge, Hartmut; Schmidtmann, Marc; Botar, Alexandru; Patrut, Adrian
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 7
• Pages of publication: 657
• a: 36.847 ± 0.0015 Å
• b: 34.9365 ± 0.0015 Å
• c: 34.8592 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 44874 ± 3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.1588
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.2235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No