Information card for entry 4340956

Structure parameters

• Formula: C62 H95 Br3 In2 N4 O3
• Calculated formula: C62 H95 Br3 In2 N4 O3
• SMILES: C[N]1(C)[C@H]2[C@@H](CCCC2)[NH]2Cc3c(c(cc(c3)C(C)(C)C)C(C)(C)C)O[In]312([O](CC)[In]12([NH]([C@H]4[C@@H](CCCC4)[N]1(C)C)Cc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O2)([Br]3)Br)Br.C[N]1(C)[C@@H]2[C@H](CCCC2)[NH]2Cc3c(c(cc(c3)C(C)(C)C)C(C)(C)C)O[In]312([O](CC)[In]12([NH]([C@@H]4[C@H](CCCC4)[N]1(C)C)Cc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O2)([Br]3)Br)Br.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
• Title of publication: Probing the role of secondary versus tertiary amine donor ligands for indium catalysts in lactide polymerization.
• Authors of publication: Osten, Kimberly M.; Aluthge, Dinesh C.; Patrick, Brian O.; Mehrkhodavandi, Parisa
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 18
• Pages of publication: 9897 - 9906
• a: 16.954 ± 0.002 Å
• b: 20.345 ± 0.003 Å
• c: 18.616 ± 0.002 Å
• α: 90°
• β: 91.959 ± 0.003°
• γ: 90°
• Cell volume: 6417.4 ± 1.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 90 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1209
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.1978
• Weighted residual factors for all reflections included in the refinement: 0.221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No