Information card for entry 7131424

Structure parameters

• Common name: Cu-ZIF-sql
• Chemical name: di-(2-formylimidazolate)copper(II)
• Formula: C8 H6 Cu N4 O2
• Calculated formula: C8 H6 Cu N4 O2
• Title of publication: Porous zeolitic imidazolate frameworks assembled with highly-flattened tetrahedral copper(II) centres and 2-nitroimidazolates.
• Authors of publication: Jung, Cheolwon; Choi, Sang Beom; Park, Jaewoo; Jung, Minji; Kim, Jonghoon; Oh, Hyunchul; Kim, Jaheon
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 27
• Pages of publication: 4040 - 4043
• a: 7.915 ± 0.0016 Å
• b: 13.333 ± 0.003 Å
• c: 8.8132 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 930.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.2348
• Weighted residual factors for all reflections included in the refinement: 0.2484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No