Information card for entry 4077384

Structure parameters

• Formula: C45 H49 F12 O4 Y
• Calculated formula: C45 H49 F12 O4 Y
• SMILES: [Y]12345(OC(C[c]65[cH]1[cH]2[cH]3[cH]46)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(Oc1c(C(C)(C)C)cccc1C(C)(C)C)([O]1CCCC1)[O]1CCCC1
• Title of publication: Cyclopentadienyl Yttrium Complexes Bearing a Fluorinated Aryloxide Functionality
• Authors of publication: Gendron, Roland A. L.; Berg, David J.; Shao, Pengcheng; Barclay, Tosha
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 20
• Pages of publication: 4279
• a: 12.4983 ± 0.0012 Å
• b: 16.3961 ± 0.0016 Å
• c: 23.031 ± 0.002 Å
• α: 90°
• β: 101.052 ± 0.002°
• γ: 90°
• Cell volume: 4632.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No