Information card for entry 4070848

Structure parameters

• Formula: C47 H62 F5 Lu N4 Si
• Calculated formula: C47 H62 F5 Lu N4 Si
• SMILES: [Lu]123456(N7C(C=C(C=C7c7[n]1ccc(c7)C(C)(C)C)C(C)(C)C)(C[Si](C)(C)C)c1[n]2ccc(c1)C(C)(C)C)(Nc1c(F)c(F)c(F)c(F)c1F)[c]1([c]4([c]5([c]6([c]31C)C)C)C)C
• Title of publication: Lutetium Alkyls Supported by a Dearomatized and Functionalized Terpyridine Ligand: Preparation of Fluorinated Anilide Complexes
• Authors of publication: Masuda, Jason D.; Jantunen, Kimberly C.; Scott, Brian L.; Kiplinger, Jaqueline L.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 4
• Pages of publication: 803
• a: 21.078 ± 0.003 Å
• b: 20.523 ± 0.003 Å
• c: 10.8091 ± 0.0016 Å
• α: 90°
• β: 102.5 ± 0.002°
• γ: 90°
• Cell volume: 4565 ± 1.2 ų
• Cell temperature: 141 ± 2 K
• Ambient diffraction temperature: 141 ± 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: 0.0815
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No