Information card for entry 7220748

Structure parameters

• Formula: C46 H38 N6 O4 Zn2
• Calculated formula: C46 H38 N6 O4 Zn2
• SMILES: [n]1(ccccc1)[Zn]123[N](c4c(cccc4)[O]2[Zn]24(Oc5ccccc5C=[N]2c2c(cccc2)[O]14)[n]1ccccc1)=Cc1c(O3)cccc1.n1ccccc1.n1ccccc1
• Title of publication: Metal Complexes Bearing 2-(Imidazole-2-yl)phenol Ligands: Synthesis, Characterization and Catalytic Performance in the Fixation of Carbon Dioxide with Epoxides
• Authors of publication: Peng, Jing; Yang, Hai-Jian; Wei, Zidong; Guo, Cunyue
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 9.4564 ± 0.0013 Å
• b: 10.03 ± 0.0014 Å
• c: 11.8005 ± 0.0016 Å
• α: 112.481 ± 0.002°
• β: 101.031 ± 0.002°
• γ: 94.373 ± 0.002°
• Cell volume: 1001.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No