Information card for entry 7102700

Structure parameters

• Formula: C37 H52 Lu N3 O Si
• Calculated formula: C37 H52 Lu N3 O Si
• SMILES: [Lu]123456(OC(c7[n]2c(c2[n]1cccc2)ccc7)C[Si](C)(C)C)(Nc1c(cccc1C(C)C)C(C)C)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C
• Title of publication: C-H activation of a 2,2[prime or minute]-bipyridine ligand within (mono)pentamethylcyclopentadienyl lutetium complexes.
• Authors of publication: Cameron, Thomas M; Gordon, John C; Scott, Brian L; Tumas, William
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 12
• Pages of publication: 1398 - 1399
• a: 11.39 ± 0.004 Å
• b: 19.073 ± 0.006 Å
• c: 17.675 ± 0.005 Å
• α: 90°
• β: 106.877 ± 0.006°
• γ: 90°
• Cell volume: 3674.4 ± 1.9 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0379
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.793
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No