Information card for entry 7030102

Structure parameters

• Formula: C27 H33 Cl2 I2 N3 O3 Zn2
• Calculated formula: C27 H33 Cl2 I2 N3 O3 Zn2
• SMILES: [Zn]12(I)[N]3=Cc4c(c(cc(c4)Cl)CN(Cc4c5c(C=[N]([Zn](O5)(I)[OH]2CC)CCC3)cc(c4)Cl)C2CCCCC2)O1
• 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: 15.4126 ± 0.0016 Å
• b: 13.5156 ± 0.0016 Å
• c: 15.8239 ± 0.0017 Å
• α: 90°
• β: 93.866 ± 0.003°
• γ: 90°
• Cell volume: 3288.8 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No