Information card for entry 4102924

Structure parameters

• Formula: C14 H38 Cl6 In2 N2 O4
• Calculated formula: C14 H38 Cl6 In2 N2 O4
• SMILES: C(CC[NH+](CC)CC)[O]1[In]([OH2])(Cl)(Cl)(Cl)[O](CCC[NH+](CC)CC)[In]1([OH2])(Cl)(Cl)Cl
• Title of publication: Mechanistic Study of the Stereoselective Polymerization of d,l-Lactide Using Indium(III) Halides
• Authors of publication: Agostino Pietrangelo; Spencer C. Knight; Aalo K. Gupta; Letitia J. Yao; Marc A. Hillmyer; William B. Tolman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 11649 - 11657
• a: 8.2451 ± 0.0014 Å
• b: 19.209 ± 0.003 Å
• c: 8.738 ± 0.0015 Å
• α: 90°
• β: 103.634 ± 0.002°
• γ: 90°
• Cell volume: 1344.9 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.0604
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No