Information card for entry 1568504

Structure parameters

• Formula: C60 H64 Co2 N16 O21 V6
• Calculated formula: C60 H64 Co2 N16 O21 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: 9.8603 ± 0.0003 Å
• b: 12.1228 ± 0.0004 Å
• c: 17.2505 ± 0.0004 Å
• α: 79.422 ± 0.002°
• β: 80.163 ± 0.002°
• γ: 76.369 ± 0.003°
• Cell volume: 1952.25 ± 0.1 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.2192
• Weighted residual factors for all reflections included in the refinement: 0.2514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No