Information card for entry 7229013

Structure parameters

• Formula: C34 H54 Cl Li O3 Zn
• Calculated formula: C34 H54 Cl Li O3 Zn
• SMILES: [Zn]1(Cl)[O](C(c2ccccc2)(C(C)(C)C)C(C)(C)C)[Li]([O]1C(c1ccccc1)(C(C)(C)C)C(C)(C)C)[O]1CCCC1
• Title of publication: Zinc bimetallics supported by a xanthene-bridged dinucleating ligand: synthesis, characterization, and lactide polymerization studies
• Authors of publication: Hollingsworth, Thilini S.; Hollingsworth, Ryan L.; Rosen, Tomer; Groysman, Stanislav
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 66
• Pages of publication: 41819
• a: 9.918 ± 0.0013 Å
• b: 25.002 ± 0.004 Å
• c: 13.3687 ± 0.0014 Å
• α: 90°
• β: 97.84 ± 0.005°
• γ: 90°
• Cell volume: 3284 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No