Information card for entry 4501411

Structure parameters

• Formula: C29 H24 Cd Cl2 N6 O2 S2
• Calculated formula: C29 H24 Cd Cl2 N6 O2 S2
• Title of publication: Cd(II)-Schiff-Base Metal‒Organic Frameworks: Synthesis, Structure, and Reversible Adsorption and Separation of Volatile Chlorocarbons
• Authors of publication: Xiao, Jing; Chen, Cheng-Xia; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 5696
• a: 23.712 ± 0.005 Å
• b: 12.822 ± 0.003 Å
• c: 10.888 ± 0.002 Å
• α: 90°
• β: 112.132 ± 0.002°
• γ: 90°
• Cell volume: 3066.4 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0483
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No