Information card for entry 4304058

Structure parameters

• Formula: C36 H36 Cu2 N12 O14 S2
• Calculated formula: C36 H36 Cu2 N12 O14 S2
• 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: 27.422 ± 0.002 Å
• b: 26.56 ± 0.002 Å
• c: 11.1115 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8092.8 ± 1.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No