Information card for entry 7109179

Structure parameters

• Formula: C100 H162 In2 N4 O6
• Calculated formula: C100 H162 In2 N4 O6
• SMILES: c12c(cc(cc1C(C)(C)C)C(C)(C)C)C=[N]1[In]34(O2)(Oc2c(C(C)(C)C)cc(cc2C=[N]3[C@@H]2[C@@H]1CCCC2)C(C)(C)C)[O](CC)[In]123([N](=Cc5c(c(cc(c5)C(C)(C)C)C(C)(C)C)O2)[C@H]2CCCC[C@@H]2[N]1=Cc1cc(cc(c1O3)C(C)(C)C)C(C)(C)C)[O]4CC.c12c(cc(cc1C(C)(C)C)C(C)(C)C)C=[N]1[In]34(O2)(Oc2c(C(C)(C)C)cc(cc2C=[N]3[C@H]2[C@H]1CCCC2)C(C)(C)C)[O](CC)[In]123([N](=Cc5c(c(cc(c5)C(C)(C)C)C(C)(C)C)O2)[C@@H]2CCCC[C@H]2[N]1=Cc1cc(cc(c1O3)C(C)(C)C)C(C)(C)C)[O]4CC.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1
• Title of publication: A highly active and site selective indium catalyst for lactide polymerization
• Authors of publication: Dinesh C. Aluthge; Brian O. Patricka; Parisa Mehrkhodavandi
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4295
• a: 29.0584 ± 0.0014 Å
• b: 17.6316 ± 0.0009 Å
• c: 20.2917 ± 0.0011 Å
• α: 90°
• β: 110.009 ± 0.003°
• γ: 90°
• Cell volume: 9768.8 ± 0.9 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1798
• 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