Information card for entry 4342021

Structure parameters

• Formula: C27 H27 Cl4 N3 O2 Zn
• Calculated formula: C27 H27 Cl4 N3 O2 Zn
• SMILES: [Zn]1(Cl)(Cl)[N]2=Cc3c(c(cc(c3)Cl)CN(Cc3c(c(C=NCCC2)cc(c3)Cl)O)CCc2ccccc2)[OH]1
• Title of publication: Influence of the Pendant Arm, Halide, and Solvent on High-Efficient-Tuning [1 + 1] and [2 + 2] Schiff-Base Macrocyclic Complexes via a Zinc-Ion Template.
• Authors of publication: Zhang, Kun; Qian, Huifen; Zhang, Lei; Huang, Wei
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 675 - 681
• a: 9.502 ± 0.009 Å
• b: 19.368 ± 0.012 Å
• c: 14.872 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2737 ± 4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.118
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No