Information card for entry 7251777

Structure parameters

• Chemical name: Zn-HTT
• Formula: C114 H60 N6 S36 Zn10
• Calculated formula: C114 H60 N6 S36 Zn10
• Title of publication: From 3-fold to 6-fold: tuning interpenetration of Zn-triphenylenehexathiolate MOF through precursor hydration
• Authors of publication: Qin, Haihan; Hu, Jieying; Li, Jian-Rong; Jiang, Long; Chung, Lai-Hon; He, Jun
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 20.8124 ± 0.001 Å
• b: 24.2224 ± 0.0011 Å
• c: 31.0731 ± 0.0011 Å
• α: 112.136 ± 0.002°
• β: 92.155 ± 0.002°
• γ: 91.899 ± 0.002°
• Cell volume: 14480.9 ± 1.1 ų
• Cell temperature: 80 K
• Ambient diffraction temperature: 80 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1439
• Residual factor for significantly intense reflections: 0.1199
• Weighted residual factors for significantly intense reflections: 0.2443
• Weighted residual factors for all reflections included in the refinement: 0.2534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No