Information card for entry 7017061

Structure parameters

• Formula: C44.7 H56.3 N12.9 O18.9 Pr Zn3
• Calculated formula: C44.7 H56.3 N12.9 O18.9 Pr Zn3
• Title of publication: A family of 13 tetranuclear zinc(ii)-lanthanide(iii) complexes of a [3 + 3] Schiff-base macrocycle derived from 1,4-diformyl-2,3-dihydroxybenzene.
• Authors of publication: Feltham, Humphrey L. C.; Klöwer, Frederik; Cameron, Scott A.; Larsen, David S.; Lan, Yanhua; Tropiano, Manuel; Faulkner, Stephen; Powell, Annie K.; Brooker, Sally
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 43
• Pages of publication: 11425 - 11432
• a: 12.6867 ± 0.0014 Å
• b: 14.948 ± 0.0018 Å
• c: 15.631 ± 0.002 Å
• α: 67.354 ± 0.006°
• β: 89.08 ± 0.006°
• γ: 76.787 ± 0.005°
• Cell volume: 2654.8 ± 0.6 ų
• Cell temperature: 92 ± 2 K
• Ambient diffraction temperature: 92 ± 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: 0.038
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No