Information card for entry 7030101

Structure parameters

• Formula: C25 H31 Br2 Cl2 N3 O2 Zn
• Calculated formula: C25 H31 Br2 Cl2 N3 O2 Zn
• SMILES: [Zn]1(Br)(Br)[N]2=Cc3c(c(CN(Cc4c(c(cc(c4)Cl)C=NCCC2)O)C2CCCCC2)cc(c3)Cl)[OH]1
• 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: 12.269 ± 0.003 Å
• b: 13.851 ± 0.003 Å
• c: 19.379 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3293.2 ± 1.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No