Information card for entry 4347575

Structure parameters

• Formula: C29 H48 Cl2 N4 O3 Zn2
• Calculated formula: C29 H48 Cl2 N4 O3 Zn2
• SMILES: [Zn]12(Cl)[N](C)(C)[C@@H]3CCCC[C@H]3[N]1=Cc1cc(cc(C=[N]3[Zn](Cl)(O)[N]([C@H]4[C@H]3CCCC4)(C)C)c1O2)C.O1CCCC1
• 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: 21.841 ± 0.002 Å
• b: 12.0898 ± 0.0012 Å
• c: 12.36 ± 0.0012 Å
• α: 90°
• β: 99.878 ± 0.002°
• γ: 90°
• Cell volume: 3215.3 ± 0.5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No