Information card for entry 7215243

Structure parameters

• Common name: ROD-8
• Formula: C49 H37 Cd2 N O12
• Calculated formula: C47 H33 Cd2 N O11
• Title of publication: ROD-8, a rod MOF with a pyrene-cored tetracarboxylate linker: framework disorder, derived nets and selective gas adsorption
• Authors of publication: Li, Ru-Jin; Li, Mian; Zhou, Xiao-Ping; Ng, Seik Weng; O'Keeffe, Michael; Li, Dan
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 28
• Pages of publication: 6291
• a: 7.151 ± 0.0001 Å
• b: 24.8988 ± 0.0004 Å
• c: 28.6097 ± 0.0004 Å
• α: 90°
• β: 93.406 ± 0.001°
• γ: 90°
• Cell volume: 5085 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0887
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No