Information card for entry 7025554

Structure parameters

• Formula: C41 H69 N2 O3 Si2 Y
• Calculated formula: C41 H69 N2 O3 Si2 Y
• SMILES: [Y]1([O]2CCCC2)([O]2CCCC2)(=C2N(C=CN2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C1)(C[Si](C)(C)C)C[Si](C)(C)C.O1CCCC1
• 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: 10.7592 ± 0.0006 Å
• b: 11.4858 ± 0.0007 Å
• c: 19.8393 ± 0.0012 Å
• α: 102.723 ± 0.0009°
• β: 93.1152 ± 0.0009°
• γ: 111.799 ± 0.0009°
• Cell volume: 2195.3 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No