Information card for entry 4107669

Structure parameters

• Formula: C36 H47 Cl2 N2 O2 Yb
• Calculated formula: C36 H47 Cl2 N2 O2 Yb
• SMILES: c12c3cccc2C=[N]([Yb]1([N](=C3)c1c(CC)cccc1CC)([O]1CCCC1)(Cl)([O]1CCCC1)Cl)c1c(cccc1CC)CC
• Title of publication: Highlycis-1,4 Selective Polymerization of Dienes with Homogeneous Ziegler-Natta Catalysts Based on NCN-Pincer Rare Earth Metal Dichloride Precursors
• Authors of publication: Wei Gao; Dongmei Cui
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 4984 - 4991
• a: 11.4405 ± 0.0007 Å
• b: 14.3832 ± 0.0009 Å
• c: 21.408 ± 0.0014 Å
• α: 90°
• β: 100.886 ± 0.001°
• γ: 90°
• Cell volume: 3459.3 ± 0.4 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 2 K
• Number of distinct elements: 6
• 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: 0.0449
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No