Information card for entry 4347578

Structure parameters

• Formula: C25 H39 Cl3 N4 O Zn2
• Calculated formula: C25 H39 Cl3 N4 O Zn2
• SMILES: [Zn]123(Cl)[Cl][Zn]45(Cl)[O]1c1c(C=[N]5[C@@H]5CCCC[C@H]5[N]4(C)C)cc(C)cc1C=[N]2[C@@H]1CCCC[C@H]1[N]3(C)C
• 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: 11.1516 ± 0.0011 Å
• b: 11.3564 ± 0.0011 Å
• c: 45.652 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5781.5 ± 0.9 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No