Information card for entry 1568506

Structure parameters

• Formula: C72 H120 N16 O23 V6
• Calculated formula: C72 H120 N16 O23 V6
• Title of publication: Redox and guest tunable spin-crossover properties in a polymeric polyoxometalate.
• Authors of publication: Palacios-Corella, Mario; García-López, Víctor; Waerenborgh, Joao Carlos; Vieira, Bruno J. C.; Mínguez Espallargas, Guillermo; Clemente-León, Miguel; Coronado, Eugenio
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 3048 - 3055
• a: 17.1948 ± 0.0003 Å
• b: 15.4967 ± 0.0002 Å
• c: 18.288 ± 0.0004 Å
• α: 90°
• β: 116.713 ± 0.003°
• γ: 90°
• Cell volume: 4352.96 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No