Information card for entry 7015266

Structure parameters

• Formula: C30 H38 N2 O5 S Zn
• Calculated formula: C30 H38 N2 O5 S Zn
• SMILES: [Zn]123([O]=S(C)C)Oc4c(cc(cc4OC)CC=C)C=[N]2[C@@H]2CCCC[C@H]2[N]3=Cc2c(O1)c(OC)cc(c2)CC=C
• Title of publication: Access to multinuclear salen complexes using olefin metathesis.
• Authors of publication: Haak, Robert M.; Castilla, Ana M.; Belmonte, Marta Martínez; Escudero-Adán, Eduardo C; Benet-Buchholz, Jordi; Kleij, Arjan W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 13
• Pages of publication: 3352 - 3364
• a: 11.0153 ± 0.0005 Å
• b: 22.6939 ± 0.0009 Å
• c: 11.5963 ± 0.0005 Å
• α: 90°
• β: 95.787 ± 0.001°
• γ: 90°
• Cell volume: 2884.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No