Information card for entry 7227439

Structure parameters

• Formula: C64 H66 N6 O8 Zn4
• Calculated formula: C64 H66 N6 O8 Zn4
• SMILES: [Zn]12([O]=C3C([NH2][Zn](O3)([O]=C3C([NH2][Zn](O3)([O]=C3C([NH2][Zn](O3)([O]=C(C([NH2]2)(c2ccccc2)c2ccccc2)O1)C)(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1)C.N#CC.N#CC
• Title of publication: Ring opening polymerization of lactides and lactones by multimetallic alkyl zinc complexes derived from the acids Ph2C(X)CO2H (X = OH, NH2)
• Authors of publication: Al-Khafaji, Yahya F.; Elsegood, Mark R. J.; Frese, Josef W. A.; Redshaw, Carl
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 8
• Pages of publication: 4510
• a: 15.021 ± 0.002 Å
• b: 16.504 ± 0.003 Å
• c: 25.151 ± 0.004 Å
• α: 90°
• β: 96.42 ± 0.002°
• γ: 90°
• Cell volume: 6196 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.077
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No