Information card for entry 7021348

Structure parameters

• Formula: C37 H27 N3 O2 Zn
• Calculated formula: C37 H27 N3 O2 Zn
• SMILES: [Zn]123([N](c4c([N]1=Cc1cccc(c1O3)c1ccccc1)cccc4)=Cc1c(O2)c(ccc1)c1ccccc1)[n]1ccccc1
• Title of publication: Merging catalysis and supramolecular aggregation features of triptycene based Zn(salphen)s.
• Authors of publication: Anselmo, Daniele; Salassa, Giovanni; Escudero-Adán, Eduardo C; Martin, Eddy; Kleij, Arjan W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 22
• Pages of publication: 7962 - 7970
• a: 14.099 ± 0.0009 Å
• b: 14.7495 ± 0.0009 Å
• c: 14.5848 ± 0.0009 Å
• α: 90°
• β: 112.86 ± 0.002°
• γ: 90°
• Cell volume: 2794.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No