Information card for entry 7110272

Structure parameters

• Formula: C18 H22 N10 O6 Zn
• Calculated formula: C6 H6 N5 O4 Zn0.5
• Title of publication: Novel coordinating motifs for lanthanide(iii) ions based on 5-(2-pyridyl)tetrazole and 5-(2-pyridyl-1-oxide)tetrazole. Potential new contrast agentsElectronic supplementary information (ESI) available: chelate analytical data, crystal structure of Zn(2?)2, potentiometric titrations, and relaxivity plots. See http://www.rsc.org/suppdata/cc/b4/b401919a/
• Authors of publication: Facchetti, Antonio; Abbotto, Alessandro; Beverina, Luca; Bradamante, Silvia; Mariani, Palma; Stern, Charlotte L.; Marks, Tobin J.; Vacca, Alberto; Pagani, Giorgio A.
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 15
• Pages of publication: 1770 - 1771
• a: 31.01 ± 0.02 Å
• b: 8.561 ± 0.004 Å
• c: 7.546 ± 0.003 Å
• α: 90°
• β: 100.65 ± 0.05°
• γ: 90°
• Cell volume: 1968.8 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No