Information card for entry 7210893

Structure parameters

• Formula: C9 H10 N4 O8 Zn2
• Calculated formula: C9 H8 N4 O7 Zn2
• Title of publication: Luminescence and magnetic properties of three metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand
• Authors of publication: Calahorro, Antonio J.; Salinas-Castillo, Alfonso; Seco, José Manuel; Zuñiga, Javier; Colacio, Enrique; Rodríguez-Diéguez, Antonio
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 38
• Pages of publication: 7636
• a: 7.711 ± 0.003 Å
• b: 8.959 ± 0.003 Å
• c: 9.103 ± 0.003 Å
• α: 88.46 ± 0.005°
• β: 88.793 ± 0.004°
• γ: 74.567 ± 0.005°
• Cell volume: 605.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0535
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No