Information card for entry 7031989

Structure parameters

• Formula: C54 H58 Cl4 N2 O12 Zn2
• Calculated formula: C54 H58 Cl4 N2 O12 Zn2
• SMILES: c12c3cc(cc1C[N]1(Cc4c(O[Zn]561([O]2[Zn]12([O]=C3)([OH]C)[N](Cc3c(c(cc(c3)Cl)C=[O]5)[O]61)(Cc1c(O2)c(cc(c1)Cl)C(OC)OC)CCc1ccccc1)[OH]C)c(cc(c4)Cl)C(OC)OC)CCc1ccccc1)Cl
• 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: 11.255 ± 0.007 Å
• b: 15.508 ± 0.009 Å
• c: 17.377 ± 0.009 Å
• α: 90°
• β: 112.5 ± 0.03°
• γ: 90°
• Cell volume: 2802 ± 3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• 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: 0.2268
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No