Information card for entry 7119382

Structure parameters

• Formula: C62 H58 Eu2 N8 O20 Zn2
• Calculated formula: C62 H58 Eu2 N8 O20 Zn2
• SMILES: c12c(cccc1)[N]1=Cc3c(c(ccc3)OC)O[Eu]34561([O]=N(=O)O5)[O]12[Zn]257([N](c8c(cccc8)[O]2[Eu]289%10%11([N](c%12c(cccc%12)[O]72[Zn]271([N](c1c(cccc1)[O]62)=Cc1c(c(ccc1)[O]%10C)[O]87)[O]=CN(C)C)=Cc1c(c(ccc1)OC)O9)ON(=[O]%11)=O)=Cc1c(c(ccc1)[O]4C)[O]35)[O]=CN(C)C
• Title of publication: Tetranuclear Zn/4f coordination clusters as highly efficient catalysts for Friedel-Crafts alkylation
• Authors of publication: Griffiths, Kieran; Kumar, Prashant; Akien, Geoffrey R.; Chilton, Nicholas F.; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Kostakis, George E.
• Journal of publication: Chemical Communications
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 50
• Pages of publication: 7866 - 7869
• a: 13.8125 ± 0.0004 Å
• b: 14.3087 ± 0.0005 Å
• c: 16.9783 ± 0.0005 Å
• α: 90°
• β: 95.498 ± 0.003°
• γ: 90°
• Cell volume: 3340.14 ± 0.18 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.05
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No