Information card for entry 7227440

Structure parameters

• Formula: C84 H64 F12 N4 O8 Zn4
• Calculated formula: C84 H64 F12 N4 O8 Zn4
• SMILES: C1(C2O[Zn]([NH2]1)([O]=C1C(c3ccccc3)(c3ccccc3)[NH2][Zn](O1)([O]=C1C(c3ccccc3)(c3ccccc3)[NH2][Zn](O1)([O]=C1C(c3ccccc3)(c3ccccc3)[NH2][Zn]([O]=2)(c2c(cccc2)C(F)(F)F)O1)c1c(cccc1)C(F)(F)F)c1c(cccc1)C(F)(F)F)c1c(cccc1)C(F)(F)F)(c1ccccc1)c1ccccc1
• 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: 18.401 ± 0.005 Å
• b: 18.401 ± 0.005 Å
• c: 11.347 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3842.1 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No