Information card for entry 7030100

Structure parameters

• Formula: C25 H29 Cl4 N3 O3 Zn2
• Calculated formula: C25 H29 Cl4 N3 O3 Zn2
• SMILES: [Zn]12(Oc3c4cc(cc3C=[N]1CCC[N]1=Cc3c(c(CN(C4)C4CCCCC4)cc(c3)Cl)O[Zn]1(Cl)[OH2]2)Cl)Cl
• Title of publication: Zinc halide template effects on the construction of [1 + 1] flexible Schiff-base macrocyclic complexes having pendant-armed dialdehyde components.
• Authors of publication: Chen, Hui-Qing; Zhang, Kun; Jin, Chao; Huang, Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 22
• Pages of publication: 8486 - 8492
• a: 11.981 ± 0.005 Å
• b: 13.858 ± 0.006 Å
• c: 19.572 ± 0.008 Å
• α: 90°
• β: 100.091 ± 0.007°
• γ: 90°
• Cell volume: 3199 ± 2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• 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: 0.18
• Residual factor for significantly intense reflections: 0.1036
• Weighted residual factors for significantly intense reflections: 0.2698
• Weighted residual factors for all reflections included in the refinement: 0.2956
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No