Information card for entry 7060033

Structure parameters

• Formula: C22 H18 N4 Ni O6
• Calculated formula: C22 H18 N4 Ni O6
• Title of publication: Solvothermal synthesis and characterization of novel [Ni(ii)(Tpy)(Pydc)]·2H2O metal‒organic framework as an adsorbent for the uptake of caffeine drug from aqueous solution
• Authors of publication: Olawale, Margaret D.; Obaleye, Joshua O.; Oladele, Ebenezer O.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 43
• Pages of publication: 18780 - 18791
• a: 8.222 ± 0.0012 Å
• b: 10.7213 ± 0.0015 Å
• c: 12.7485 ± 0.0019 Å
• α: 101.309 ± 0.003°
• β: 92.147 ± 0.003°
• γ: 108.191 ± 0.003°
• Cell volume: 1041 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.0746
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0303
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No