Information card for entry 4347577

Structure parameters

• Formula: C24 H45 Cl4 In2 N5 O2
• Calculated formula: C24 H45 Cl4 In2 N5 O2
• SMILES: C1C[N]2(Cc3c4c(cc(c3)C(C)(C)C)C[N]3(CC[N](C)(C)[In]53([O]4[In]2([N]1(C)C)([OH]5)(Cl)Cl)(Cl)Cl)C)C.CC#N
• Title of publication: Dinucleating Ligand Platforms Supporting Indium and Zinc Catalysts for Cyclic Ester Polymerization.
• Authors of publication: Kremer, Alexandre B.; Osten, Kimberly M.; Yu, Insun; Ebrahimi, Tannaz; Aluthge, Dinesh C.; Mehrkhodavandi, Parisa
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 5365 - 5374
• a: 15.31 ± 0.002 Å
• b: 11.246 ± 0.0017 Å
• c: 19.389 ± 0.003 Å
• α: 90°
• β: 104.472 ± 0.004°
• γ: 90°
• Cell volume: 3232.4 ± 0.8 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90.15 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: 0.0694
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No