Information card for entry 1562095

Structure parameters

• Formula: C40 H41 Mg3 N3 O17
• Calculated formula: C40 H39 Mg3 N3 O17
• Title of publication: A magnesium-carboxylate framework showing luminescent sensing for CS2 and nitroaromatic compounds
• Authors of publication: Wu, Zhao-Feng; Tan, Bin; Feng, Mei-Ling; Du, Cheng-Feng; Huang, Xiao-Ying
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 223
• Pages of publication: 59 - 64
• a: 11.3718 ± 0.0002 Å
• b: 22.5945 ± 0.0003 Å
• c: 16.5955 ± 0.0003 Å
• α: 90°
• β: 91.902 ± 0.002°
• γ: 90°
• Cell volume: 4261.7 ± 0.12 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: 0.0616
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No