Information card for entry 4070969

Structure parameters

• Formula: C51 H84 Lu N3 Si2
• Calculated formula: C51 H84 Lu N3 Si2
• SMILES: [Lu]1([n]2ccc(cc2c2[n]1ccc(c2)C(C)(C)C)C(C)(C)C)(Nc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C[Si](C)(C)C)C[Si](C)(C)C.c1(ccccc1)C
• Title of publication: Synthesis, Characterization, and Reactivity of the Thermally Stable Lutetium Tris(alkyl) Complex (tBu2bpy)Lu(CH2SiMe3)3
• 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: 6
• Pages of publication: 1299
• a: 10.6491 ± 0.0007 Å
• b: 24.6745 ± 0.0017 Å
• c: 20.1578 ± 0.0014 Å
• α: 90°
• β: 92.303 ± 0.001°
• γ: 90°
• Cell volume: 5292.4 ± 0.6 ų
• Cell temperature: 141 ± 2 K
• Ambient diffraction temperature: 141 ± 2 K
• Number of distinct elements: 5
• 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: 0.0609
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No