Information card for entry 4087377

Structure parameters

• Formula: C25 H23 F12 N O3 Ti
• Calculated formula: C25.001 H23 F12.003 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: 8.765 ± 0.0007 Å
• b: 11.8664 ± 0.0009 Å
• c: 13.684 ± 0.0011 Å
• α: 84.0275 ± 0.0013°
• β: 89.6253 ± 0.0013°
• γ: 71.6678 ± 0.0013°
• Cell volume: 1343.18 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No