Information card for entry 1573380

Structure parameters

• Chemical name: Catena-poly[mu-(1,2-bis(4-pyridyl)ethylene-kN:kN')diiodidozinc(II)
• Formula: C12 H10 I2 N2 Zn
• Calculated formula: C12 H10 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: 5.8775 ± 0.0002 Å
• b: 8.0332 ± 0.0002 Å
• c: 15.8128 ± 0.0004 Å
• α: 102.779 ± 0.002°
• β: 91.996 ± 0.002°
• γ: 91.958 ± 0.002°
• Cell volume: 727 ± 0.04 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No