Information card for entry 7200959

Structure parameters

• Formula: C104 H82 Cu4 N16 O29 S4
• Calculated formula: C104 H82 Cu4.001 N16 O29 S4
• Title of publication: A novel polythreaded metal‒organic framework with inherent features of different side arms and five-fold interpenetration
• Authors of publication: Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Ya-Nan; Yang, Guo-Ping; Fu, Ai-Yun; Shi, Qi-Zhen
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 1519
• a: 13.475 ± 0.003 Å
• b: 14.578 ± 0.003 Å
• c: 16.099 ± 0.003 Å
• α: 97.934 ± 0.004°
• β: 113.562 ± 0.004°
• γ: 106.287 ± 0.004°
• Cell volume: 2667.7 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1503
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No