Information card for entry 4345250

Structure parameters

• Formula: C51 H31 N3 O10 S2 Zn2
• Calculated formula: C51 H31 N3 O10 S2 Zn2
• Title of publication: Exploring the Detection of Metal Ions by Tailoring the Coordination Mode of V-Shaped Thienylpyridyl Ligand in Three MOFs.
• Authors of publication: Han, Li-Juan; Yan, Wei; Chen, Shu-Guang; Shi, Zhen-Zhen; Zheng, He-Gen
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 5
• Pages of publication: 2936 - 2940
• a: 17.164 Å
• b: 18.512 Å
• c: 24.463 Å
• α: 90°
• β: 120.35°
• γ: 90°
• Cell volume: 6707.64 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No