Information card for entry 7030099

Structure parameters

• Formula: C22 H23 Cl2 N O4
• Calculated formula: C22 H23 Cl2 N O4
• SMILES: c1(c(cc(cc1C=O)Cl)CN(Cc1cc(cc(c1O)C=O)Cl)C1CCCCC1)O
• 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: 12.1528 ± 0.0018 Å
• b: 8.6038 ± 0.0013 Å
• c: 20.383 ± 0.003 Å
• α: 90°
• β: 105.492 ± 0.002°
• γ: 90°
• Cell volume: 2053.8 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0962
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1945
• Weighted residual factors for all reflections included in the refinement: 0.2104
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No