Information card for entry 7106399

Structure parameters

• Formula: C14 H15 N7 O3 Zn
• Calculated formula: C14 H15 N7 O3 Zn
• Title of publication: A new approach towards tetrahedral imidazolate frameworks for high and selective CO2 uptake
• Authors of publication: Fei Wang; Yan-Xi Tan; Hui Yang; Haixia Zhang; Yao Kang; Jian Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 5828
• a: 18.2006 ± 0.0009 Å
• b: 10.4443 ± 0.0007 Å
• c: 9.0541 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1721.12 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No