Information card for entry 2300756

Structure parameters

• Common name: manganese terephthalate dihydrate
• Formula: C8 H8 Mn O6
• Calculated formula: C8 H8 Mn O6
• Title of publication: A comparison of microcrystal electron diffraction and X-ray powder diffraction for the structural analysis of metal-organic frameworks.
• Authors of publication: Biehler, Erik; Pagola, Silvina; Stam, Daniel; Merkelbach, Johannes; Jandl, Christian; Abdel-Fattah, Tarek M
• Journal of publication: Journal of applied crystallography
• Year of publication: 2025
• Journal volume: 58
• Journal issue: Pt 2
• Pages of publication: 398 - 411
• a: 18.71 ± 0.08 Å
• b: 6.57 ± 0.03 Å
• c: 7.37 ± 0.03 Å
• α: 90°
• β: 99.27 ± 0.013°
• γ: 90°
• Cell volume: 894 ± 7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.197
• Residual factor for significantly intense reflections: 0.1817
• Weighted residual factors for significantly intense reflections: 0.4498
• Weighted residual factors for all reflections included in the refinement: 0.4608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.02851 Å
• Diffraction radiation type: electron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No