Information card for entry 7701060

Structure parameters

• Formula: C202 H273 N26 O98 Zn16
• Calculated formula: C136 H107 N8 O83 Zn16
• Title of publication: Near sunlight continuous broadband white-light emission by single-phase Zn(ii)-1,3,5-benzenetricarboxylate MOFs.
• Authors of publication: Wang, Ce; Yin, Zheng; Ma, Wei-Min; Li, Xi-Yao; Cao, Li-Hui; Cheng, Yu; Yu, Xin-Yu; Ma, Yang-Min
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 40
• Pages of publication: 14966 - 14970
• a: 35.8753 ± 0.0003 Å
• b: 24.4464 ± 0.0002 Å
• c: 32.1563 ± 0.0003 Å
• α: 90°
• β: 114.077 ± 0.001°
• γ: 90°
• Cell volume: 25748.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1421
• Residual factor for significantly intense reflections: 0.1358
• Weighted residual factors for significantly intense reflections: 0.5146
• Weighted residual factors for all reflections included in the refinement: 0.5325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No