Information card for entry 7034623

Structure parameters

• Formula: C36 H43 Mg3 N7 O16
• Calculated formula: C35.97 H42.966 Mg3 N6.994 O15.998
• Title of publication: Synthesis and characterization of three amino-functionalized metal-organic frameworks based on the 2-aminoterephthalic ligand.
• Authors of publication: Yang, Ying; Lin, Rijia; Ge, Lei; Hou, Lei; Bernhardt, Paul; Rufford, Thomas E.; Wang, Shaobin; Rudolph, Victor; Wang, Yaoyu; Zhu, Zhonghua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 17
• Pages of publication: 8190 - 8197
• a: 18.061 ± 0.002 Å
• b: 26.186 ± 0.007 Å
• c: 9.735 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4604.1 ± 1.9 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2079
• Residual factor for significantly intense reflections: 0.1498
• Weighted residual factors for significantly intense reflections: 0.3442
• Weighted residual factors for all reflections included in the refinement: 0.383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No