Information card for entry 1561035

Structure parameters

• Formula: C37 H56 Br2 Mg2 N2 O8
• Calculated formula: C37 H56 Br2 Mg2 N2 O8
• SMILES: Br[Mg]123(Br)[O]4[Mg]56([O]1c1c(C=[N]5CC(C[N]6=Cc6c4c([O]2C)ccc6)(C)C)cccc1[O]3C)([O]1CCCC1)[O]1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation
• Authors of publication: Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 3109 - 3118
• a: 10.7118 ± 0.0002 Å
• b: 20.0019 ± 0.0002 Å
• c: 18.6537 ± 0.0003 Å
• α: 90°
• β: 91.671 ± 0.001°
• γ: 90°
• Cell volume: 3994.97 ± 0.11 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 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: 0.0672
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No