Information card for entry 7030032

Structure parameters

• Formula: C78 H76 Cl4 N4 O2 Zn2
• Calculated formula: C78 H76 Cl4 N4 O2 Zn2
• SMILES: C1(=CC(=[N]([Zn]2(N1Cc1c3ccccc3cc3ccccc13)[O](C(C)C)[Zn]1(N(C(=CC(=[N]1Cc1c3ccccc3cc3ccccc13)C)C)Cc1c3ccccc3cc3ccccc13)[O]2C(C)C)Cc1c2ccccc2cc2ccccc12)C)C.C(Cl)Cl.C(Cl)Cl
• Title of publication: Lactide polymerization catalyzed by Mg and Zn diketiminate complexes with flexible ligand frameworks.
• Authors of publication: Whitehorne, Todd J. J.; Vabre, Boris; Schaper, Frank
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 17
• Pages of publication: 6339 - 6352
• a: 11.8196 ± 0.0004 Å
• b: 12.4402 ± 0.0005 Å
• c: 12.4806 ± 0.0005 Å
• α: 95.05 ± 0.001°
• β: 115.269 ± 0.002°
• γ: 92.814 ± 0.001°
• Cell volume: 1645.42 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0554
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No