Information card for entry 1562683

Structure parameters

• Formula: C30 H38 Cu2 N4 O19
• Calculated formula: C30 H38 Cu2 N4 O19
• Title of publication: Synthesis, characterization and Hirshfeld surface analysis of a mixed-ligand copper (II) coordination polymer from 1,4,8,11-tetraazacyclotetradecane and pyromellitic dianhydride
• Authors of publication: Nour Dissem; Prabhjyot Kaur; Love Karan Rana; Thierry Maris; Adam Duong
• Journal of publication: Transition Metal Chemistry
• Year of publication: 2021
• Journal volume: 46
• Pages of publication: 283 - 290
• a: 8.8717 ± 0.0008 Å
• b: 18.8801 ± 0.0001 Å
• c: 9.9362 ± 0.0005 Å
• α: 90°
• β: 100.916 ± 0.001°
• γ: 90°
• Cell volume: 1634.19 ± 0.17 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes