Information card for entry 1573379

Structure parameters

• Chemical name: Catena-poly[mu-(1,2-bis(4-pyridyl)ethane-kN:kN')diiodidozinc(II)
• Formula: C12 H12 I2 N2 Zn
• Calculated formula: C12 H12 I2 N2 Zn
• Title of publication: 1D Zn(ii)/2D Cu(i) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment
• Authors of publication: García-Hernán, Andrea; Aguilar-Galindo, Fernando; Castillo, Oscar; Amo-Ochoa, Pilar
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 22
• Pages of publication: 6573 - 6583
• a: 16.3937 ± 0.0005 Å
• b: 11.8607 ± 0.0003 Å
• c: 16.2836 ± 0.0004 Å
• α: 90°
• β: 108.595 ± 0.003°
• γ: 90°
• Cell volume: 3000.91 ± 0.15 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No