Information card for entry 2214178

Structure parameters

• Chemical name: Dipyridinebis[4,4,4-trifluoro-1-(4-nitrophenyl)butane-1,3-dionato]copper(II)
• Formula: C30 H20 Cu F6 N4 O8
• Calculated formula: C30 H20 Cu F6 N4 O8
• SMILES: c1(ccc(cc1)C1=CC(=[O][Cu]2([n]3ccccc3)([n]3ccccc3)(O1)OC(=CC(=[O]2)C(F)(F)F)c1ccc(cc1)N(=O)=O)C(F)(F)F)N(=O)=O
• Title of publication: Dipyridinebis[4,4,4-trifluoro-1-(4-nitrophenyl)butane-1,3-dionato]copper(II)
• Authors of publication: Ling Fan; Dun-Jia Wang; Jing Zheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1980 - m1980
• a: 12.5939 ± 0.0009 Å
• b: 8.7423 ± 0.0006 Å
• c: 14.1918 ± 0.001 Å
• α: 90°
• β: 106.245 ± 0.001°
• γ: 90°
• Cell volume: 1500.13 ± 0.18 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 6
• 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: 0.0712
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1081
• 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