Information card for entry 1561107

Structure parameters

• Formula: C16 H19 N3 O11 S Zn2
• Calculated formula: C16 H15 N3 O9 S Zn2
• Title of publication: Ni(II)/Zn(II)-triazolate clusters based MOFs constructed from a V-shaped dicarboxylate ligand: Magnetic properties and phosphate sensing
• Authors of publication: Chen, Yong-Qiang; Tian, Yuan; Li, Na; Liu, Sui-Jun
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 262
• Pages of publication: 100 - 105
• a: 24.9898 ± 0.0013 Å
• b: 24.9898 ± 0.0013 Å
• c: 14.9086 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9310.3 ± 1.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No