Information card for entry 7046405

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: 17.7049 ± 0.0015 Å
• b: 9.2515 ± 0.0009 Å
• c: 24.5663 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4023.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.92 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: 0.0913
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No