Information card for entry 7131428

Structure parameters

• Common name: Cu-ZIF-rho
• Chemical name: di-(2-nitroimidazolate)copper(II)
• Formula: C6 H4 Cu N6 O4
• Calculated formula: C6 H4 Cu N6 O4
• 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: 28.691 ± 0.003 Å
• b: 28.691 ± 0.003 Å
• c: 28.691 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 23618 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 229
• Hermann-Mauguin space group symbol: I m -3 m
• Hall space group symbol: -I 4 2 3
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No