Information card for entry 2108003

Structure parameters

• Formula: C24 H17 Cu F6 N3 O4
• Calculated formula: C24 H17 Cu F6 N3 O4
• SMILES: [n]1(c(nccc1)N)[Cu]12(OC(=CC(=[O]1)C(F)(F)F)c1ccccc1)(OC(=CC(=[O]2)c1ccccc1)C(F)(F)F)[n]1c(N)[n](ccc1)[Cu]12(OC(=CC(=[O]2)c2ccccc2)C(F)(F)F)OC(=CC(=[O]1)c1ccccc1)C(F)(F)F
• 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: 9.3862 ± 0.0002 Å
• b: 10.7268 ± 0.0002 Å
• c: 13.3463 ± 0.0003 Å
• α: 70.106 ± 0.001°
• β: 75.783 ± 0.002°
• γ: 84.529 ± 0.001°
• Cell volume: 1224.77 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0555
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes