Information card for entry 7108703

Structure parameters

• Formula: C21 H31 N O20 P2 Zn3
• Calculated formula: C21 H18 N O20 P2 Zn3
• Title of publication: Enhancing CO2 adsorption of a Zn_phosphonocarboxylate framework by pore space partitions
• Authors of publication: Yun Ling; Mingli Deng; Zhenxia Chen; Bing Xia; Xiaofeng Liu; Yongtai Yang; Yaming Zhou; Linhong Weng
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 78
• a: 18.453 ± 0.007 Å
• b: 18.453 ± 0.007 Å
• c: 23.283 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7928 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No