Information card for entry 7046404

Structure parameters

• Formula: C19 H19 Cu N3 O8
• Calculated formula: C19 H19 Cu N3 O8
• 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: 17.8332 ± 0.0004 Å
• b: 9.2678 ± 0.0001 Å
• c: 24.5582 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4058.84 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0714
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.192
• Weighted residual factors for all reflections included in the refinement: 0.1948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.67522 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No