Information card for entry 4110752

Structure parameters

• Formula: C19 H17 Cl6 N3 Sn
• Calculated formula: C19 H17 Cl6 N3 Sn
• SMILES: [Sn]1(N(C(=CC(=[N]1c1c(Cl)cc(Cl)cc1Cl)C)C)c1c(Cl)cc(Cl)cc1Cl)N(C)C
• Title of publication: Synthetic, Structural, Mechanistic, and Computational Studies on Single-Site β-Diketiminate Tin(II) Initiators for the Polymerization of rac-Lactide
• Authors of publication: Andrew P. Dove; Vernon C. Gibson; Edward L. Marshall; Henry S. Rzepa; Andrew J. P. White; David J. Williams
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 9834 - 9843
• a: 7.4946 ± 0.001 Å
• b: 15.424 ± 0.002 Å
• c: 20.758 ± 0.004 Å
• α: 90°
• β: 93.738 ± 0.012°
• γ: 90°
• Cell volume: 2394.5 ± 0.6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.1059
• Weighted residual factors for significantly intense reflections: 0.0921
• Goodness-of-fit parameter for all reflections: 1.014
• Goodness-of-fit parameter for significantly intense reflections: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No