Information card for entry 7025553

Structure parameters

• Formula: C33 H57 Lu N2 Si3
• Calculated formula: C33 H57 Lu N2 Si3
• SMILES: [Lu](=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(C[Si](C)(C)C)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Trimethylsilylmethyl complexes of the rare-earth metals with sterically hindered N-heterocyclic carbene ligands: adduct formation and C-H bond activation.
• Authors of publication: Fegler, Waldemar; Spaniol, Thomas P.; Okuda, Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 29
• Pages of publication: 6774 - 6779
• a: 17.1968 ± 0.0012 Å
• b: 10.4002 ± 0.0007 Å
• c: 43.071 ± 0.003 Å
• α: 90°
• β: 99.009 ± 0.001°
• γ: 90°
• Cell volume: 7608.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No