Information card for entry 7211021

Structure parameters

• Formula: C26 H26 Mg N0 O5 S
• Calculated formula: C26 H26 Mg O5 S
• Title of publication: Selective gas adsorption and unique phase transition properties in a stable magnesium metal-organic framework constructed from infinite metal chains
• Authors of publication: Liu, Yangyang; Chen, Ying-Pin; Liu, Tian-Fu; Yakovenko, Andrey A.; Raiff, Aaron M.; Zhou, Hong-Cai
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9688
• a: 36.85 ± 0.02 Å
• b: 7.469 ± 0.004 Å
• c: 8.756 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2410 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 74
• Hermann-Mauguin space group symbol: I m m a
• Hall space group symbol: -I 2b 2
• Residual factor for all reflections: 0.1139
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1946
• Weighted residual factors for all reflections included in the refinement: 0.2291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No