Information card for entry 2231784

Structure parameters

• Chemical name: Tetrakis(picolinato-κ^2^<i>N</i>,<i>O</i>)zirconium(IV) dihydrate
• Formula: C24 H20 N4 O10 Zr
• Calculated formula: C24 H20 N4 O10 Zr
• SMILES: C1(=O)O[Zr]234([n]5c1cccc5)([n]1c(C(=O)O2)cccc1)([n]1c(C(=O)O3)cccc1)[n]1c(C(=O)O4)cccc1.O.O
• Title of publication: Tetrakis(picolinato-κ^2^<i>N</i>,<i>O</i>)zirconium(IV) dihydrate
• Authors of publication: Steyn, Maryke; Visser, Hendrik G.; Roodt, Andreas; Muller, T. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1240 - m1241
• a: 11.083 ± 0.005 Å
• b: 11.083 ± 0.005 Å
• c: 9.548 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1172.8 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes