Information card for entry 7221896

Structure parameters

• Chemical name: Poly{[(mu4-4,4'-azobenzenedicarboxylate-kO:k2O,O':kO'':k2O'',O''')(mu-4,4'-azobenzenedicarboxylate-k2O,O':k2O'',O''')tetrakis(dimethylsulfoxide)dicadmium(II)]dimethylsulfoxide}
• Formula: C38 H46 Cd2 N4 O13 S5
• Calculated formula: C38 H40 Cd2 N4 O13 S5
• Title of publication: Tuning the porosity through interpenetration of azobenzene-4,4′-dicarboxylate-based metal‒organic frameworks
• Authors of publication: Fernández, Belén; Seco, José Manuel; Cepeda, Javier; Calahorro, Antonio J.; Rodríguez-Diéguez, Antonio
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 40
• Pages of publication: 7636
• a: 31.831 ± 0.006 Å
• b: 7.884 ± 0.002 Å
• c: 19.449 ± 0.004 Å
• α: 90°
• β: 107.912 ± 0.007°
• γ: 90°
• Cell volume: 4644.3 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1353
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No