Information card for entry 1560477

Structure parameters

• Formula: C21 H31 N13 O13 Zn3
• Calculated formula: C21 H27 N13 O13 Zn3
• Title of publication: Two Zinc(II) metal-organic frameworks with mixed ligands of 5-amino-tetrazolate and l,2,4,5-benzenetetracarboxylate: Synthesis, structural diversity and photoluminescent properties
• Authors of publication: Wang, Xiao-Bing; Lu, Wen-Guan; Zhong, Di-Chang
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 250
• Pages of publication: 83 - 89
• a: 10.2293 ± 0.0003 Å
• b: 34.4803 ± 0.001 Å
• c: 10.7355 ± 0.0003 Å
• α: 90°
• β: 109.985 ± 0.003°
• γ: 90°
• Cell volume: 3558.5 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No