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Information card for entry 1567970
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Coordinates | 1567970.cif |
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Original paper (by DOI) | HTML |
Common name | [VO(TrPP)] |
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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 Å3 |
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 |
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