Information card for entry 4333993

Structure parameters

• Formula: C21 H34 N8 O14 Zn
• Calculated formula: C21 H18 N8 O14 Zn
• Title of publication: Three-Dimensional Zinc(II) and Cadmium(II) Coordination Frameworks with N,N,N',N'-Tetrakis(pyridin-4-yl)methanediamine: Structure, Photoluminescence, and Catalysis
• Authors of publication: Jong Won Shin; Jeong Mi Bae; Cheal Kim; Kil Sik Min
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2265 - 2267
• a: 19.707 ± 0.003 Å
• b: 19.707 ± 0.003 Å
• c: 15.51 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6023.6 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.2376
• Weighted residual factors for all reflections included in the refinement: 0.2459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.62 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No