Information card for entry 7020749

Structure parameters

• Formula: C45 H30 N5 O15 Zn2
• Calculated formula: C45 H30 N5 O15 Zn2
• Title of publication: A microporous metal-organic framework containing an exceptional four-connecting 4(2)6(4) topology and a combined effect for highly selective adsorption of CO2 over N2.
• Authors of publication: Qin, Yuan-cheng; Feng, Xue-feng; Luo, Feng; Sun, Gong-ming; Song, Yu-mei; Tian, Xiao-zhao; Huang, Hai-xiao; Zhu, Yan; Yuan, Zi-jun; Luo, Ming-biao; Liu, Shu-juan; Xu, Wen-yuan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 1
• Pages of publication: 50 - 53
• a: 13.0843 ± 0.0002 Å
• b: 25.4045 ± 0.0004 Å
• c: 16.3416 ± 0.0003 Å
• α: 90°
• β: 93.974 ± 0.001°
• γ: 90°
• Cell volume: 5418.89 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No