Information card for entry 7018116

Structure parameters

• Formula: C12 H11 N5 O9 Zn
• Calculated formula: C12 H11 N5 O9 Zn
• SMILES: [Zn]123([O]=C(O)c4[n]3cccc4)([O]=N(=O)O1)[N](O)=Cc1[n]2cccc1.N(=O)(=O)[O-]
• Title of publication: Metal ion-assisted transformations of 2-pyridinealdoxime and hexafluorophosphate.
• Authors of publication: Konidaris, Konstantis F.; Polyzou, Christina D.; Kostakis, George E.; Tasiopoulos, Anastasios J.; Roubeau, Olivier; Teat, Simon J.; Manessi-Zoupa, Evy; Powell, Annie K.; Perlepes, Spyros P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 10
• Pages of publication: 2862 - 2865
• a: 7.6874 ± 0.0012 Å
• b: 9.9484 ± 0.0016 Å
• c: 11.4223 ± 0.0017 Å
• α: 96.499 ± 0.003°
• β: 96.478 ± 0.004°
• γ: 111.272 ± 0.004°
• Cell volume: 797.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0492
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No