Information card for entry 7019280

Structure parameters

• Formula: C34 H53 Cl2 In N2 O2
• Calculated formula: C34 H53 Cl2 In N2 O2
• SMILES: [C@@H]12CCCC[C@H]1[NH](c1c(cc(cc1C)C)C)[In]1([NH]2Cc2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O1)(Cl)Cl.O1CCCC1.[C@H]12CCCC[C@@H]1[NH](c1c(cc(cc1C)C)C)[In]1([NH]2Cc2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O1)(Cl)Cl.O1CCCC1
• Title of publication: Effects of ligand tuning on dinuclear indium catalysts for lactide polymerization.
• Authors of publication: Osten, Kimberly M.; Yu, Insun; Duffy, Ian R.; Lagaditis, Paraskevi O.; Yu, Joey C.-C.; Wallis, Christopher J.; Mehrkhodavandi, Parisa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 26
• Pages of publication: 8123 - 8134
• a: 11.4157 ± 0.0003 Å
• b: 17.5129 ± 0.0004 Å
• c: 17.1967 ± 0.0004 Å
• α: 90°
• β: 104.324 ± 0.001°
• γ: 90°
• Cell volume: 3331.12 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No