Information card for entry 7046406

Structure parameters

• Formula: C17 H13 Cu N3 O8.88
• Calculated formula: C17 H13 Cu N3 O8.84
• Title of publication: Selective CO₂ adsorption by a new metal-organic framework: synergy between open metal sites and a charged imidazolinium backbone.
• Authors of publication: Kochetygov, Ilia; Bulut, Safak; Asgari, Mehrdad; Queen, Wendy L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 31
• Pages of publication: 10527 - 10535
• a: 16.61 ± 0.004 Å
• b: 8.957 ± 0.002 Å
• c: 25.681 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3820.7 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1184
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.1834
• Weighted residual factors for all reflections included in the refinement: 0.2022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No