Information card for entry 1569458

Structure parameters

• Formula: C15 H12 N4 O4 Zn
• Calculated formula: C15 H12 N4 O4 Zn
• Title of publication: Synthesis, Crystal Structure, and Luminescent Sensing Properties of a Supramolecular 3D Zinc(II) Metal–Organic Framework with Terephthalate and Bis(imidazol-1-yl)methane Linkers
• Authors of publication: Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Ryadun, Alexey A.; Fedin, Vladimir P.; Potapov, Andrei S.
• Journal of publication: Inorganics
• Year of publication: 2023
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 264
• a: 18.3186 ± 0.0003 Å
• b: 18.3186 ± 0.0003 Å
• c: 11.6298 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3902.62 ± 0.16 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No