Information card for entry 4338623

Structure parameters

• Formula: C94 H134 In2 O6 S4
• Calculated formula: C94 H134 In2 O6 S4
• SMILES: [In]1234([O](C(C)C)[In]567([S](c8c(O7)c(cc(c8)C(C)(C)C)C(C)(C)C)CC[S]6c6c(O5)c(cc(c6)C(C)(C)C)C(C)(C)C)[O]4C(C)C)[S](c4c(O2)c(cc(c4)C(C)(C)C)C(C)(C)C)CC[S]1c1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C
• 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: 16.0249 ± 0.0017 Å
• b: 16.5918 ± 0.0018 Å
• c: 19.59 ± 0.002 Å
• α: 111.828 ± 0.0015°
• β: 108.691 ± 0.0016°
• γ: 90.3753 ± 0.0016°
• Cell volume: 4533.1 ± 0.8 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: 0.0857
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No