Information card for entry 7707478

Structure parameters

• Chemical name: Poly[(mu4-1,4-benzenedicarboxylato-kO:kO':kO'':kO''')(mu-3,6-bis(4-pyridyl)-1,2,4,5-tetrazine)bis(dimethylformamide)bis(nitrato-k2O,O')dizinc(II)]
• Formula: C13 H13 N5 O6 Zn
• Calculated formula: C13 H13 N5 O6 Zn
• Title of publication: Towards correlating dimensionality and topology in luminescent MOFs based on terephthalato and bispyridyl-like ligands.
• Authors of publication: Cepeda, Javier; Pérez-Yáñez, Sonia; García, Jose Ángel; Rojas, Sara; Rodríguez-Diéguez, Antonio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 26
• Pages of publication: 9269 - 9282
• a: 15.027 ± 0.0005 Å
• b: 10.4796 ± 0.0003 Å
• c: 9.4372 ± 0.0003 Å
• α: 90°
• β: 91.705 ± 0.003°
• γ: 90°
• Cell volume: 1485.48 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.474
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No