Information card for entry 7248027

Structure parameters

• Formula: C25 H23 I2 N3 O2 Zn
• Calculated formula: C25 H23 I2 N3 O2 Zn
• SMILES: I[Zn]1(I)[O]=c2[nH]cccc2[N]1=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1.OC
• Title of publication: Multi-stimuli responsive behavior of two Zn(ii) complexes based on a Schiff base with high contrast
• Authors of publication: Xia, Zhong-Gang; Shi, Yong-Sheng; Xiao, Tong; Zheng, Xiang-Jun
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 1015 - 1021
• a: 7.5135 ± 0.0002 Å
• b: 12.1526 ± 0.0006 Å
• c: 14.5092 ± 0.0004 Å
• α: 92.374 ± 0.003°
• β: 99.647 ± 0.002°
• γ: 96.671 ± 0.003°
• Cell volume: 1294.73 ± 0.08 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No