Information card for entry 7103641

Structure parameters

• Common name: A dizinc complex of tBu-salen
• Formula: C48 H60 N4 O4 Zn2
• Calculated formula: C48 H60 N4 O4 Zn2
• SMILES: [Zn]123Oc4c(C=[N]2CC[N]2[Zn]5(Oc6c(C=2)cccc6C(C)(C)C)Oc2c(C=[N]5CC[N]3=Cc3c(O1)c(ccc3)C(C)(C)C)cccc2C(C)(C)C)cccc4C(C)(C)C
• Title of publication: First helical zinc(II) complex with a salen ligand
• Authors of publication: Mizukami, Shin; Houjou, Hirohiko; Nagawa, Yoshinobu; Kanesato, Masatoshi
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 10
• Pages of publication: 1148 - 1149
• a: 11.3432 ± 0.0003 Å
• b: 16.2924 ± 0.0003 Å
• c: 24.4065 ± 0.0006 Å
• α: 90°
• β: 90.9037 ± 0.0005°
• γ: 90°
• Cell volume: 4510 ± 0.2 ų
• Cell temperature: 193.2 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 significantly intense reflections: 0.0365
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No