Information card for entry 4065722

Structure parameters

• Formula: C33 H49 Cl2 Gd N2 O2
• Calculated formula: C33 H49 Cl2 Gd N2 O2
• SMILES: [N]1(=C(C)C=C(N([Gd]1([O]1CCCC1)(Cl)([O]1CCCC1)Cl)c1c(cccc1CC)CC)C)c1c(cccc1CC)CC
• Title of publication: β-Diketiminato Rare-Earth Metal Complexes. Structures, Catalysis, and Active Species for Highlycis-1,4-Selective Polymerization of Isoprene
• Authors of publication: Li, Danfeng; Li, Shihui; Cui, Dongmei; Zhang, Xuequan
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 9
• Pages of publication: 2186
• a: 12.7752 ± 0.001 Å
• b: 13.1869 ± 0.0011 Å
• c: 20.5994 ± 0.0017 Å
• α: 90°
• β: 107.258 ± 0.001°
• γ: 90°
• Cell volume: 3314 ± 0.5 ų
• Cell temperature: 186.5 ± 0.2 K
• Ambient diffraction temperature: 186.5 ± 0.2 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: 0.0179
• Residual factor for significantly intense reflections: 0.0175
• Weighted residual factors for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.0458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No