Information card for entry 7021350

Structure parameters

• Formula: C66 H62 N4 O8 S4 Zn2
• Calculated formula: C66 H62 N4 O8 S4 Zn2
• 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: 9.1484 ± 0.0007 Å
• b: 10.4688 ± 0.0008 Å
• c: 17.6146 ± 0.0012 Å
• α: 98.405 ± 0.003°
• β: 97.457 ± 0.004°
• γ: 114.971 ± 0.003°
• Cell volume: 1478 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1066
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No