Information card for entry 7230012

Structure parameters

• Formula: C44 H32 Cd2 N8 O10 S2
• Calculated formula: C44 H28 Cd2 N8 O10 S2
• Title of publication: Structural diversity of six metal‒organic frameworks from a rigid bisimidazole ligand and their adsorption of organic dyes
• Authors of publication: Liu, Siyu; Guo, Mingming; Guo, Huadong; Sun, Yingying; Guo, Xianmin; Sun, Shaowen; Alexandrov, Eugeny V.
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 8
• Pages of publication: 4039
• a: 11.376 ± 0.002 Å
• b: 17.593 ± 0.003 Å
• c: 11.651 ± 0.002 Å
• α: 90°
• β: 114.192 ± 0.004°
• γ: 90°
• Cell volume: 2127 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No