Information card for entry 7107662

Structure parameters

• Formula: C16 H19 N5 O5 Zn
• Calculated formula: C12 H10 N4 O4 Zn
• Title of publication: Open diamondoid amino-functionalized MOFs for CO2 capture
• Authors of publication: Fei Wang; Yan-Xi Tan; Hui Yang; Yao Kang; Jian Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 4842
• a: 14.3885 ± 0.0005 Å
• b: 15.4745 ± 0.0006 Å
• c: 8.4241 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1875.67 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No