Information card for entry 4087378

Structure parameters

• Formula: C33 H31 F12 N O3 Ti
• Calculated formula: C33 H31 F12 N O3 Ti
• Title of publication: Synthesis and Characterization of Group 4 Trianionic ONO3‒ Pincer-Type Ligand Complexes and a Rare Case of Through-Space 19F‒19F Coupling
• Authors of publication: Nadif, Soufiane S.; Pedziwiatr, Jakub; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 6
• Pages of publication: 1107
• a: 9.253 ± 0.004 Å
• b: 41.867 ± 0.016 Å
• c: 17.033 ± 0.007 Å
• α: 90°
• β: 94.549 ± 0.007°
• γ: 90°
• Cell volume: 6578 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.2014
• Residual factor for significantly intense reflections: 0.0965
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1897
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No