Information card for entry 2018415

Structure parameters

• Chemical name: (pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(pyrimidin-2-amine-κ<i>N</i>^1^)copper(II)
• Formula: C14 H19 Cu N3 O4
• Calculated formula: C14 H19 Cu N3 O4
• SMILES: [Cu]12([n]3c(N)nccc3)(OC(=CC(=[O]1)C)C)[O]=C(C=C(O2)C)C
• Title of publication: (Pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(pyridin-2-amine-κ<i>N</i>^1^)copper(II) and (pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(pyrimidin-2-amine-κ<i>N</i>^1^)copper(II)
• Authors of publication: Perdih, Franc
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m64 - m68
• a: 7.5686 ± 0.0003 Å
• b: 8.3504 ± 0.0003 Å
• c: 25.6871 ± 0.001 Å
• α: 90°
• β: 93.081 ± 0.001°
• γ: 90°
• Cell volume: 1621.1 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes