Information card for entry 7107663

Structure parameters

• Formula: C15 H17 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: 12.7589 ± 0.0013 Å
• b: 22.66 ± 0.03 Å
• c: 24.053 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6954 ± 9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No