Information card for entry 4302317

Structure parameters

• Formula: C32 H49 In O4 S2
• Calculated formula: C32 H49 In O4 S2
• SMILES: [In]123([S](c4c(O2)c(cc(c4)C)C(C)(C)C)C[S]1c1c(O3)c(cc(c1)C)C(C)(C)C)([O]1CCCC1)C.O1CCCC1
• Title of publication: Indium Complexes Supported by 1,ω-Dithiaalkanediyl-Bridged Bis(phenolato) Ligands: Synthesis, Structure, and Controlled Ring-Opening Polymerization of L-Lactide
• Authors of publication: Peckermann, Ilja; Kapelski, Andreas; Spaniol, Thomas P.; Okuda, Jun
• Journal of publication: Inorganic chemistry
• Year of publication: 2009
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 5526 - 5534
• a: 9.3348 ± 0.0008 Å
• b: 12.2093 ± 0.0011 Å
• c: 14.7162 ± 0.0013 Å
• α: 92.382 ± 0.0012°
• β: 102.424 ± 0.0012°
• γ: 97.0638 ± 0.0012°
• Cell volume: 1621.5 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4338620
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No