Information card for entry 7221895

Structure parameters

• Chemical name: Poly{dimethylamonnium[(mu-4,4'-azobenzenedicarboxylate-k2O,O':k2O'',O''')(mu-acetato-kO:kO)cadmate(II)]}
• Formula: C18 H19 Cd N3 O6
• Calculated formula: C18 H14 Cd N3 O6
• 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: 30.09 ± 0.03 Å
• b: 17.23 ± 0.02 Å
• c: 8.658 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4489 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.1623
• Residual factor for significantly intense reflections: 0.1524
• Weighted residual factors for significantly intense reflections: 0.3267
• Weighted residual factors for all reflections included in the refinement: 0.3321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No