Information card for entry 7716926

Structure parameters

• Formula: C12 H19 Cl2 O1.75 Sm0.5 Ti0.5
• Calculated formula: C12 H19 Cl2 O1.75 Sm0.5 Ti0.5
• Title of publication: Choosing between Ti(II) and Ti(III): selective reduction of titanocene dichloride by elemental lanthanides
• Authors of publication: Guillaume, Bousrez; Harakat, Dominique; Chevreux, Sylviane; Dechamps, Isabelle; Jaroschik, Florian
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 22.5099 ± 0.0015 Å
• b: 44.91 ± 0.003 Å
• c: 11.2932 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11416.5 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0174
• Residual factor for significantly intense reflections: 0.0165
• Weighted residual factors for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.0353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No