Information card for entry 7018045

Structure parameters

• Formula: C48 H66 Mg3 N8 O24
• Calculated formula: C48 H66 Mg3 N8 O24
• Title of publication: Auxiliary ligand induced structural allomorphism in nanotubular microporous metal-organic frameworks based on discrete magnesium clusters.
• Authors of publication: Wang, Hai-Ning; Meng, Xing; Wang, Xin-Long; Yang, Guang-Sheng; Su, Zhong-Min
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 8
• Pages of publication: 2231 - 2233
• a: 14.484 ± 0.0014 Å
• b: 13.389 ± 0.0013 Å
• c: 20.373 ± 0.0014 Å
• α: 90°
• β: 133.8 ± 0.014°
• γ: 90°
• Cell volume: 2851.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0744
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No