Information card for entry 7249499

Structure parameters

• Formula: C8 H5 O7.5 Zn2
• Calculated formula: C8 H2 O6 Zn2
• Title of publication: Some aspects of MOF-74 (Zn2DOBDC) metal–organic framework formation using THF as the solvent
• Authors of publication: Starodubtseva, Alena A.; Dubrovskiy, Vladislav A.; Malik, Seiilbek D.; Lyssenko, Konstantin A.; Sembayeva, Aliya M.; Morontsev, Aleksandr A.; Galeyeva, Alina K.; Trussov, Ivan A.
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 22.9353 ± 0.0004 Å
• b: 22.9353 ± 0.0004 Å
• c: 15.9392 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7261.2 ± 0.2 ų
• Cell temperature: 295 ± 0.1 K
• Ambient diffraction temperature: 295 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1925
• Weighted residual factors for all reflections included in the refinement: 0.1974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No