Information card for entry 7025552

Structure parameters

• Formula: C39 H69 N2 Si3 Y
• Calculated formula: C39 H69 N2 Si3 Y
• SMILES: [Y](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(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: 12.6036 ± 0.0006 Å
• b: 18.8246 ± 0.001 Å
• c: 19.2411 ± 0.001 Å
• α: 90°
• β: 91.7906 ± 0.0009°
• γ: 90°
• Cell volume: 4562.9 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0866
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 0.884
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No