Information card for entry 1568503

Structure parameters

• Formula: C39.25 H45.25 N14.75 O22.75 V6 Zn
• Calculated formula: C39.25 H45.25 N14.75 O22.75 V6 Zn
• 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: 13.2016 ± 0.0016 Å
• b: 27.457 ± 0.004 Å
• c: 18.236 ± 0.002 Å
• α: 90°
• β: 105.503 ± 0.013°
• γ: 90°
• Cell volume: 6369.6 ± 1.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 393.15 K
• Number of distinct elements: 6
• 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: 0.2169
• Residual factor for significantly intense reflections: 0.1233
• Weighted residual factors for significantly intense reflections: 0.2764
• Weighted residual factors for all reflections included in the refinement: 0.3306
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No