Information card for entry 7205272

Structure parameters

• Formula: C28 H19 Cd11 N8 O1.5 S8.25 Zn
• Calculated formula: C28 H19 Cd N8 O11 S Zn0.5
• Title of publication: Metal‒organic frameworks based on transition-metal carboxylate clusters as secondary building units: synthesis, structures and properties
• Authors of publication: Zhao, Li-Min; Zhang, Zhen-Jie; Zhang, Shi-Yuan; Cui, Ping; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 907
• a: 17.4744 ± 0.0013 Å
• b: 9.8931 ± 0.0008 Å
• c: 25.4804 ± 0.0014 Å
• α: 90°
• β: 131.238 ± 0.003°
• γ: 90°
• Cell volume: 3312.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1193
• Residual factor for significantly intense reflections: 0.1023
• Weighted residual factors for significantly intense reflections: 0.2532
• Weighted residual factors for all reflections included in the refinement: 0.2613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.657
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No