Information card for entry 4347077

Structure parameters

• Formula: C103 H75 Ba5 O26
• Calculated formula: C104 H77 Ba5 O25
• Title of publication: Unprecedented Solvent-Dependent Sensitivities in Highly Efficient Detection of Metal Ions and Nitroaromatic Compounds by a Fluorescent Barium Metal-Organic Framework.
• Authors of publication: Wang, Rongming; Liu, Xiaobin; Huang, Ao; Wang, Wen; Xiao, Zhenyu; Zhang, Liangliang; Dai, Fangna; Sun, Daofeng
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 1782 - 1787
• a: 10.8177 ± 0.0003 Å
• b: 19.8483 ± 0.0006 Å
• c: 25.8687 ± 0.0005 Å
• α: 101.117 ± 0.002°
• β: 101.108 ± 0.0018°
• γ: 94.827 ± 0.002°
• Cell volume: 5305.4 ± 0.2 ų
• Cell temperature: 294.49 ± 0.1 K
• Ambient diffraction temperature: 294.49 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1432
• Residual factor for significantly intense reflections: 0.1353
• Weighted residual factors for significantly intense reflections: 0.3473
• Weighted residual factors for all reflections included in the refinement: 0.3503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No