Information card for entry 7004045

Structure parameters

• Formula: C41.5 H68 Cl N2 O4 Sm
• Calculated formula: C41.5 H68 Cl N2 O4 Sm
• Title of publication: Lanthanide chloride complexes of amine-bis(phenolate) ligands and their reactivity in the ring-opening polymerization of ε-caprolactone
• Authors of publication: Willans, Charlotte E.; Sinenkov, Mikhail A.; Fukin, Georgy K.; Sheridan, Kristina; Lynam, Jason M.; Trifonov, Alexander A.; Kerton, Francesca M.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 27
• Pages of publication: 3592 - 3598
• a: 12.6169 ± 0.0004 Å
• b: 19.9748 ± 0.0006 Å
• c: 17.6003 ± 0.0005 Å
• α: 90°
• β: 94.044 ± 0.001°
• γ: 90°
• Cell volume: 4424.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0319
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No