Information card for entry 7220747

Structure parameters

• Formula: C52 H45 N7 O5 Zn2
• Calculated formula: C52 H45 N7 O5 Zn2
• SMILES: [Zn]12([N](c3c(cccc3)O1)=Cc1c(ccc(c1)Cc1ccc3c(c1)C=[N]1[Zn]([n]4ccccc4)([n]4ccccc4)(O3)Oc3c1cccc3)O2)([n]1ccccc1)[n]1ccccc1.n1ccccc1.O
• 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: 24.117 ± 0.002 Å
• b: 10.501 ± 0.0011 Å
• c: 19.2996 ± 0.0019 Å
• α: 90°
• β: 110.243 ± 0.002°
• γ: 90°
• Cell volume: 4585.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0854
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No