Information card for entry 2227861

Structure parameters

• Chemical name: (Acetylacetonato)(dicyanamido)(1,10-phenanthroline)copper(II) dihydrate
• Formula: C19 H19 Cu N5 O4
• Calculated formula: C19 H19 Cu N5 O4
• SMILES: [Cu]12(OC(=CC(=[O]1)C)C)([n]1c3c(ccc1)ccc1c3[n]2ccc1)N(C#N)C#N.O.O
• Title of publication: (Acetylacetonato)(dicyanamido)(1,10-phenanthroline)copper(II) dihydrate
• Authors of publication: Janani, Halimeh; Rezvani, Ali Reza; Rostami-Charati, Faramarz; Makha, Mohamed; Skelton, Brian W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1062 - m1063
• a: 8.2825 ± 0.0008 Å
• b: 9.9853 ± 0.0007 Å
• c: 12.1109 ± 0.0007 Å
• α: 76.388 ± 0.005°
• β: 79.236 ± 0.007°
• γ: 83.554 ± 0.007°
• Cell volume: 953.9 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.053
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes