Information card for entry 1572789

Structure parameters

• Formula: C21 H17 Ti
• Calculated formula: C21 H17 Ti
• Title of publication: (η⁸-Cyclooctatetraene)(η⁵-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: 8.3693 ± 0.0005 Å
• b: 15.9237 ± 0.0008 Å
• c: 11.3545 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1513.22 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.032
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No