Information card for entry 1567970

Structure parameters

• Common name: [VO(TrPP)]
• Chemical name: ((5,10,15-triphenyl porphyrinate)-oxovanadium(IV))
• Formula: C38 H24 N4 O V
• Calculated formula: C38 H24 N4 O V
• Title of publication: An exchange coupled <i>meso</i>-<i>meso</i> linked vanadyl porphyrin dimer for quantum information processing.
• Authors of publication: Ranieri, Davide; Santanni, Fabio; Privitera, Alberto; Albino, Andrea; Salvadori, Enrico; Chiesa, Mario; Totti, Federico; Sorace, Lorenzo; Sessoli, Roberta
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 61 - 69
• a: 18.9568 ± 0.0009 Å
• b: 8.083 ± 0.0003 Å
• c: 19.9282 ± 0.0009 Å
• α: 90°
• β: 114.25 ± 0.002°
• γ: 90°
• Cell volume: 2784.1 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0876
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.2182
• Weighted residual factors for all reflections included in the refinement: 0.2246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No