Information card for entry 7064419

Structure parameters

• Formula: C16 H16 N4 O4 Zn
• Calculated formula: C16 H16 N4 O4 Zn
• Title of publication: Synthesis and DFT studies of a new Zn(ii) coordination polymer containing a paddle-wheel hetero-ligand system as a catalyst for the degradation of microplastics
• Authors of publication: Adimula, Vincent O.; Adekeye, Halimat O.; Oniye, Funsho A.; Adeniyi, Emmanuel O.; Owalude, Samson O.; Hosten, Eric; Ogunlaja, Adeniyi S.; Oluwafemi, Oluwatobi S.; Tella, Adedibu C.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• a: 7.5192 ± 0.0002 Å
• b: 8.8301 ± 0.0003 Å
• c: 13.2595 ± 0.0004 Å
• α: 81.2005 ± 0.0012°
• β: 77.8018 ± 0.0012°
• γ: 73.6861 ± 0.0011°
• Cell volume: 821.72 ± 0.04 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0443
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No