Information card for entry 4342676

Structure parameters

• Formula: C168 H96 N12 O58 Zn16
• Calculated formula: C168 H84 N12 O58 Zn16
• Title of publication: Stable luminescent metal-organic frameworks as dual-functional materials to encapsulate ln(3+) ions for white-light emission and to detect nitroaromatic explosives.
• Authors of publication: Xie, Wei; Zhang, Shu-Ran; Du, Dong-Ying; Qin, Jun-Sheng; Bao, Shao-Juan; Li, Jing; Su, Zhong-Min; He, Wen-Wen; Fu, Qiang; Lan, Ya-Qian
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 3290 - 3296
• a: 51.07 ± 0.0012 Å
• b: 51.07 ± 0.0014 Å
• c: 29.743 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 67181 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1151
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No