Information card for entry 2021449

Structure parameters

• Chemical name: Diiodidobis(2-{(<i>E</i>)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κ<i>O</i>)zinc(II)
• Formula: C28 H26 I2 N2 O4 Zn
• Calculated formula: C28 H26 I2 N2 O4 Zn
• SMILES: c1(ccccc1=CNc1ccccc1OC)=[O][Zn](I)(I)[O]=c1ccccc1=CNc1ccccc1OC
• Title of publication: The role of π‒π stacking and hydrogen-bonding interactions in the assembly of a series of isostructural group IIB coordination compounds
• Authors of publication: Hajiashrafi, Taraneh; Zekriazadeh, Roghayeh; Flanagan, Keith J.; Kia, Farnoush; Bauzá, Antonio; Frontera, Antonio; Senge, Mathias O.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 2
• Pages of publication: 178 - 188
• a: 9.2709 ± 0.0019 Å
• b: 10.02 ± 0.002 Å
• c: 16.248 ± 0.004 Å
• α: 98.56 ± 0.04°
• β: 100.5 ± 0.04°
• γ: 110.09 ± 0.03°
• Cell volume: 1356.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1274
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1947
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes