Information card for entry 7031986

Structure parameters

• Formula: C55 H56 Cl4 N8 O11 Zn2
• Calculated formula: C55 H56 Cl4 N8 O11 Zn2
• SMILES: [Zn]1234[N]5=Cc6c(c(CN(Cc7c8O[Zn]9%10([N](CCC[N]9=Cc9c(c(CN(Cc%11c(c(cc(c%11)Cl)C=[N]1CCC5)O2)CCc1ccccc1)cc(c9)Cl)[OH]%10)=Cc8cc(c7)Cl)[O]4N(=O)=O)CCc1ccccc1)cc(c6)Cl)[OH]3.N(=O)(=O)[O-].OC
• Title of publication: Distinguishable Zn(ii) and Pb(ii) template effects on forming pendant-armed Schiff-base macrocyclic complexes including a remarkable Pb(ii)-π macrocyclic complex.
• Authors of publication: Zhang, Kun; Geng, Jiao; Jin, Chao; Huang, Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 41
• Pages of publication: 15351 - 15358
• a: 13.6893 ± 0.0009 Å
• b: 14.9431 ± 0.001 Å
• c: 15.5399 ± 0.001 Å
• α: 105.066 ± 0.001°
• β: 107.277 ± 0.001°
• γ: 93.069 ± 0.001°
• Cell volume: 2901.5 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1058
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1966
• Weighted residual factors for all reflections included in the refinement: 0.2098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No