Information card for entry 7046796

Structure parameters

• Common name: H2OTz
• Formula: C6 H6 N4 O6
• Calculated formula: C6 H6 N4 O6
• Title of publication: Coordination polymers built up from an s-tetrazine derived ligand and rare-earth ions: from a sequential dimensional expansion to organic-inorganic energy transfer.
• Authors of publication: Rouschmeyer, Paul; Guillou, Nathalie; Serre, Christian; Clavier, Gilles; Allain, Clémence; Devic, Thomas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 31
• Pages of publication: 10715 - 10720
• a: 4.6883 ± 0.0002 Å
• b: 10.7516 ± 0.0005 Å
• c: 8.7635 ± 0.0004 Å
• α: 90°
• β: 95.497 ± 0.003°
• γ: 90°
• Cell volume: 439.71 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No