Information card for entry 7020360

Structure parameters

• Formula: C20 H18 Cu N4 O4
• Calculated formula: C20 H18 Cu N4 O4
• Title of publication: Synthesis, characterisation and adsorption properties of a porous copper(ii) 3D coordination polymer exhibiting strong binding enthalpy and adsorption capacity for carbon dioxide.
• Authors of publication: Eckold, Pierre; Gee, William J.; Hill, Matthew R.; Batten, Stuart R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 43
• Pages of publication: 13364 - 13369
• a: 8.2896 ± 0.0006 Å
• b: 10.1177 ± 0.0008 Å
• c: 11.5102 ± 0.0009 Å
• α: 90°
• β: 90.944 ± 0.002°
• γ: 90°
• Cell volume: 965.25 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.710698 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No