Information card for entry 4507727

Structure parameters

• Formula: C92 H62 Cd2 N8 O15 S2
• Calculated formula: C92 H62 Cd2 N8 O15 S2
• Title of publication: Tuning Structural Topologies of a Series of Metal‒Organic Frameworks: Different Bent Dicarboxylates
• Authors of publication: Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Yang, Qingxiang; Li, Yizhi; Zheng, Hegen
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 2111
• a: 13.2457 ± 0.0008 Å
• b: 13.256 ± 0.0007 Å
• c: 15.0285 ± 0.0015 Å
• α: 91.851 ± 0.001°
• β: 102.53 ± 0.001°
• γ: 119.01 ± 0.001°
• Cell volume: 2223.3 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.1062
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No