Information card for entry 7031985

Structure parameters

• Formula: C56 H58 Cl4 N8 O13 Zn2
• Calculated formula: C56 H58 Cl4 N8 O13 Zn2
• SMILES: [Zn]1234Oc5c6C=[N]2CCC[N]1=Cc1c(c(cc(c1)Cl)CN(Cc1c2c(C=[N]7[Zn]8([N](=Cc9c(c(CN(Cc5cc(c6)Cl)CCc5ccc(cc5)O)cc(c9)Cl)O8)CCC7)([OH]2)[O]4N(=O)=O)cc(c1)Cl)CCc1ccc(cc1)O)[OH]3.CCO.N(=O)(=O)[O-]
• 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: 13.244 ± 0.003 Å
• b: 13.505 ± 0.003 Å
• c: 17.957 ± 0.004 Å
• α: 89.565 ± 0.003°
• β: 72.204 ± 0.002°
• γ: 72.003 ± 0.003°
• Cell volume: 2895.1 ± 1.1 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: 0.0763
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No