Information card for entry 4077454

Structure parameters

• Formula: C40 H40 Cl6 La2 N8
• Calculated formula: C40 H40 Cl6 La2 N8
• SMILES: c1cccc[n]1[La]1([n]2ccccc2)([n]2ccccc2)([n]2ccccc2)(Cl)(Cl)[Cl][La]([n]2ccccc2)([n]2ccccc2)([n]2ccccc2)([n]2ccccc2)(Cl)(Cl)[Cl]1
• Title of publication: Lanthanide Carboxylate Precursors for Diene Polymerization Catalysis: Syntheses, Structures, and Reactivity with Et2AlCl
• Authors of publication: Evans, William J.; Giarikos, Dimitrios G.; Ziller, Joseph W.
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 26
• Pages of publication: 5751
• a: 11.9859 ± 0.0004 Å
• b: 17.0473 ± 0.0006 Å
• c: 12.6734 ± 0.0005 Å
• α: 90°
• β: 118.105 ± 0.001°
• γ: 90°
• Cell volume: 2284.18 ± 0.14 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0222
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections included in the refinement: 0.0467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No