Information card for entry 2207496

Structure parameters

• Chemical name: Bis[2-(cyclopropyliminomethyl)-4-nitrophenolato]zinc(II)
• Formula: C20 H18 N4 O6 Zn
• Calculated formula: C20 H18 N4 O6 Zn
• SMILES: [Zn]12(Oc3c(cc(N(=O)=O)cc3)C=[N]1C1CC1)Oc1c(cc(N(=O)=O)cc1)C=[N]2C1CC1
• Title of publication: Bis[2-(cyclopropyliminomethyl)-4-nitrophenolato]zinc(II)
• Authors of publication: You, Zhong-Lu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2497 - m2498
• a: 11.363 ± 0.001 Å
• b: 16.873 ± 0.002 Å
• c: 11.266 ± 0.001 Å
• α: 90°
• β: 113.283 ± 0.001°
• γ: 90°
• Cell volume: 1984.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes