Information card for entry 2108007

Structure parameters

• Formula: C24 H16 F6 N2 O4 Zn
• Calculated formula: C24 H16 F6 N2 O4 Zn
• SMILES: [Zn]12([O]=C(C(F)(F)F)C=C(O1)c1ccccc1)([O]=C(C(F)(F)F)C=C(O2)c1ccccc1)([n]1cc[n](cc1)[Zn]12([O]=C(C(F)(F)F)C=C(O2)c2ccccc2)[O]=C(C(F)(F)F)C=C(O1)c1ccccc1)[n]1ccncc1
• Title of publication: Cu^II^ and Zn^II^ β-diketonate coordination polymers based on pyrimidin-2-amine, pyrazine and 1,2-bis(4-pyridyl)ethane
• Authors of publication: Perdih, Franc
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 6
• Pages of publication: 828 - 835
• a: 7.211 ± 0.0005 Å
• b: 8.9713 ± 0.0007 Å
• c: 10.9554 ± 0.0009 Å
• α: 92.223 ± 0.007°
• β: 106.931 ± 0.007°
• γ: 113.347 ± 0.007°
• Cell volume: 612.83 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes