Information card for entry 1561031

Structure parameters

• Formula: C25 H30 Cd I2 Mg N4 O4
• Calculated formula: C25 H30 Cd I2 Mg N4 O4
• SMILES: I[Cd]123(I)[O]4[Mg]56([O]1c1c(C=[N]6CC(C[N]5=Cc5cccc([O]3C)c54)(C)C)cccc1[O]2C)([N]#CC)[N]#CC
• 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: 10.7707 ± 0.0003 Å
• b: 17.2439 ± 0.0007 Å
• c: 19.6341 ± 0.0006 Å
• α: 90°
• β: 90.981 ± 0.003°
• γ: 90°
• Cell volume: 3646.1 ± 0.2 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1102
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.2613
• Weighted residual factors for all reflections included in the refinement: 0.2868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No