Information card for entry 7022537

Structure parameters

• Formula: C108 H134 N24 Ni6 O43 S12
• Calculated formula: C108 H134 N24 Ni6 O43 S12
• Title of publication: Metal-organic frameworks based on 1,3,5-triazine-2,4,6-triyltrithio-triacetate: structures, topologies, photoluminescence and photocatalytic properties.
• Authors of publication: Gong, Yun; Jiang, Peng-Gang; Wang, Ying-Xia; Wu, Tao; Lin, Jian-Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 19
• Pages of publication: 7196 - 7203
• a: 31.068 ± 0.003 Å
• b: 13.517 ± 0.0012 Å
• c: 20.8591 ± 0.0018 Å
• α: 90°
• β: 125.962 ± 0.002°
• γ: 90°
• Cell volume: 7090.2 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0752
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No