Information card for entry 7221899

Structure parameters

• Chemical name: Poly{[tris(mu4-4,4'-azobenzenedicarboxylate-kO:kO':kO'':kO''')bis(mu-3,6-bis(4-pyridyl)-1,2,4,5-tetrazine)trizinc(II)]}
• Formula: C60 H36 N14.5 O12 Zn3
• Calculated formula: C60 H36 N14.5 O12 Zn3
• 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: 16.945 ± 0.005 Å
• b: 16.958 ± 0.005 Å
• c: 17.88 ± 0.005 Å
• α: 83.348 ± 0.007°
• β: 73.542 ± 0.007°
• γ: 65.791 ± 0.007°
• Cell volume: 4494 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.147
• Residual factor for significantly intense reflections: 0.0916
• Weighted residual factors for significantly intense reflections: 0.2381
• Weighted residual factors for all reflections included in the refinement: 0.2653
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No