Information card for entry 1564813

Structure parameters

• Formula: C104 H176 N8 O14 Si6 Zn6
• Calculated formula: C104 H176 N8 O14 Si6 Zn6
• Title of publication: Zn(II)- and Mg(II)-Complexes of a Tridentate {ONN} Ligand: Application to Poly(lactic acid) Production and Chemical Upcycling of Polyesters
• Authors of publication: Payne, Jack M.; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D.
• Journal of publication: Macromolecules
• Year of publication: 2021
• Journal volume: 54
• Journal issue: 18
• Pages of publication: 8453 - 8469
• a: 13.6831 ± 0.0004 Å
• b: 14.4983 ± 0.0003 Å
• c: 16.1583 ± 0.0004 Å
• α: 86.515 ± 0.002°
• β: 79.139 ± 0.002°
• γ: 70.937 ± 0.002°
• Cell volume: 2975.45 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0537
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No