Information card for entry 1574781

Structure parameters

• Chemical name: Zn3(HOTP)2
• Formula: C36 H12 O12 Zn3
• Calculated formula: C12 H4 O4 Zn
• Title of publication: High-resolution structure of Zn₃(HOTP)₂ (HOTP = hexaoxidotriphenylene), a three-dimensional conductive MOF.
• Authors of publication: Zhang, Kimberly J.; Chen, Tianyang; Oppenheim, Julius J.; Yang, Luming; Palatinus, Lukáš; Müller, Peter; Van Voorhis, Troy; Dincă, Mircea
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 27
• Pages of publication: 12416 - 12420
• a: 20.8662 Å
• b: 20.8662 Å
• c: 9.4948 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3580.17 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 190
• Hermann-Mauguin space group symbol: P -6 2 c
• Hall space group symbol: P -6c -2c
• Residual factor for all reflections: 0.2904
• Residual factor for significantly intense reflections: 0.1992
• Weighted residual factors for significantly intense reflections: 0.2259
• Weighted residual factors for all reflections included in the refinement: 0.2392
• Goodness-of-fit parameter for significantly intense reflections: 4.4582
• Goodness-of-fit parameter for all reflections included in the refinement: 3.0896
• Diffraction radiation probe: electron
• Diffraction radiation wavelength: 0.0251 Å
• Diffraction radiation type: electron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No