Information card for entry 7018117

Structure parameters

• Formula: C12 H16 N6 O10 Zn
• Calculated formula: C12 H16 N6 O10 Zn
• SMILES: N(=O)(=O)[O-].[Zn]12([n]3c(C(N)=[O]1)cccc3)([n]1c(C(N)=[O]2)cccc1)([OH2])[OH2].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: 6.8777 ± 0.0006 Å
• b: 11.2057 ± 0.0011 Å
• c: 12.8526 ± 0.0012 Å
• α: 90°
• β: 113.523 ± 0.007°
• γ: 90°
• Cell volume: 908.23 ± 0.15 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No