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Information card for entry 1572788
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Coordinates | 1572788.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H17 Ti |
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Calculated formula | C21 H17 Ti |
Title of publication | (η<sup>8</sup>-Cyclooctatetraene)(η<sup>5</sup>-fluorenyl)titanium: a processable molecular spin qubit with optimized control of the molecule-substrate interface. |
Authors of publication | Wisbeck, Sarita; Sorrentino, Andrea Luigi; Santana, Francielli S.; de Camargo, Luana C.; Ribeiro, Ronny R.; Salvadori, Enrico; Chiesa, Mario; Giaconi, Niccolò; Caneschi, Andrea; Mannini, Matteo; Poggini, Lorenzo; Briganti, Matteo; Serrano, Giulia; Soares, Jaísa F; Sessoli, Roberta |
Journal of publication | Chemical science |
Year of publication | 2024 |
Journal volume | 15 |
Journal issue | 35 |
Pages of publication | 14390 - 14398 |
a | 8.5539 ± 0.0005 Å |
b | 15.9444 ± 0.001 Å |
c | 11.4097 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1556.13 ± 0.16 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0511 |
Residual factor for significantly intense reflections | 0.039 |
Weighted residual factors for significantly intense reflections | 0.0933 |
Weighted residual factors for all reflections included in the refinement | 0.1008 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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