Information card for entry 1568966

Structure parameters

• Formula: Cs10 Fe30 Mo84 O382 P
• Calculated formula: Cs10 Fe30 Mo83.9992 O382 P
• Title of publication: A redox-active inorganic crown ether based on a polyoxometalate capsule.
• Authors of publication: Tamai, Nanako; Ogiwara, Naoki; Hayashi, Eri; Kamata, Keigo; Misawa, Toshiyuki; Ito, Takeru; Kojima, Tatsuhiro; Segado, Mireia; Petrus, Enric; Bo, Carles; Uchida, Sayaka
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 5453 - 5459
• a: 35.08 ± 0.0007 Å
• b: 36.9265 ± 0.0007 Å
• c: 34.8114 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 45094 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C c m e
• Hall space group symbol: -C 2ac 2ac
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1797
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.4132 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No