Information card for entry 7019279

Structure parameters

• Formula: C27 H47 Cl2 In N2 O
• Calculated formula: C27 H47 Cl2 In N2 O
• SMILES: [C@H]12[C@@H](CCCC1)[N](CCC)(CCC)[In]1([NH]2Cc2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O1)(Cl)Cl.[C@@H]12[C@H](CCCC1)[N](CCC)(CCC)[In]1([NH]2Cc2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O1)(Cl)Cl
• 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: 8.6106 ± 0.001 Å
• b: 18.028 ± 0.002 Å
• c: 20.77 ± 0.002 Å
• α: 112.588 ± 0.005°
• β: 99.361 ± 0.006°
• γ: 90.583 ± 0.006°
• Cell volume: 2927.8 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No