Information card for entry 2243815

Structure parameters

• Chemical name: {6,6'-Dimethoxy-2,2'-[(4-azaheptane-1,7-diyl)bis(nitrilomethanylidyne)]diphenolato}zinc(II) methanol monosolvate
• Formula: C23 H31 N3 O5 Zn
• Calculated formula: C23 H31 N3 O5 Zn
• SMILES: [Zn]1234[N](=Cc5cccc(OC)c5O1)CCC[NH]2CCC[N]4=Cc1c(O3)c(OC)ccc1.OC
• Title of publication: Chiral crystallization of a zinc(II) complex
• Authors of publication: Noor, Shabana; Suda, Shintaro; Haraguchi, Tomoyuki; Khatoon, Fehmeeda; Akitsu, Takashiro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 5
• Pages of publication: 542 - 546
• a: 14.5937 ± 0.0006 Å
• b: 11.4425 ± 0.0005 Å
• c: 13.5794 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2267.6 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes