Information card for entry 7030104

Structure parameters

• Formula: C29 H38 Br2 N4 O3 Zn2
• Calculated formula: C29 H38 Br2 N4 O3 Zn2
• SMILES: [Zn]12([N]3=Cc4c(O1)c(cc(c4)C)CN(Cc1c4O[Zn]([N](CCC3)=Cc4cc(c1)C)(Br)[OH2]2)C1CCCCC1)Br.C(#N)C
• 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: 11.757 ± 0.006 Å
• b: 13.684 ± 0.007 Å
• c: 19.582 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3150 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1261
• Residual factor for significantly intense reflections: 0.0924
• Weighted residual factors for significantly intense reflections: 0.2075
• Weighted residual factors for all reflections included in the refinement: 0.2247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No