Information card for entry 2225870

Structure parameters

• Chemical name: Bis[2-(cyclopropyliminomethyl)-5-methoxyphenolato]zinc(II)
• Formula: C22 H24 N2 O4 Zn
• Calculated formula: C22 H24 N2 O4 Zn
• SMILES: c12c(cc(cc1)OC)O[Zn]1([N](=C2)C2CC2)[N](=Cc2c(cc(cc2)OC)O1)C1CC1
• Title of publication: Bis[2-(cyclopropyliminomethyl)-5-methoxyphenolato]zinc(II)
• Authors of publication: Bai, Li-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m531
• a: 8.9646 ± 0.0018 Å
• b: 10.628 ± 0.002 Å
• c: 22.366 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2130.9 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes