Information card for entry 4304059

Structure parameters

• Formula: C23 H14 Cu N6 O4
• Calculated formula: C23 H14 Cu N6 O4
• Title of publication: Metal-Organic Frameworks Constructed from 2,4,6-Tris(4-pyridyl)-1,3,5-triazine
• Authors of publication: Ming-Xing Li; Zhi-Xin Miao; Min Shao; Sheng-Wen Liang; Shou-Rong Zhu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4481 - 4489
• a: 22.7672 ± 0.0017 Å
• b: 13.1972 ± 0.001 Å
• c: 13.3665 ± 0.001 Å
• α: 90°
• β: 100.02 ± 0.001°
• γ: 90°
• Cell volume: 3954.9 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No