Information card for entry 7707226

Structure parameters

• Formula: C36 H28 Co2 N2 O16
• Calculated formula: C36 H28 Co2 N2 O16
• Title of publication: Expanding the NUIG MOF family: synthesis and characterization of new MOFs for selective CO₂ adsorption, metal ion removal from aqueous systems, and drug delivery applications.
• Authors of publication: Winterlich, Meghan; McHugh, Darragh; O'Toole, Evan; Skordi, Katerina; O'Malley, Ciaran; Sanii, Rana; Tasiopoulos, Anastasios; Erxleben, Andrea; Mayans, Júlia; Morrison, Liam; McArdle, Patrick; Zaworotko, Michael J.; Tylianakis, Emmanuel; Froudakis, George; Papatriantafyllopoulou, Constantina
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 20
• Pages of publication: 6997 - 7006
• a: 26.2183 ± 0.0007 Å
• b: 23.5289 ± 0.001 Å
• c: 15.3542 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9471.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1973
• Weighted residual factors for all reflections included in the refinement: 0.2108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No