Information card for entry 2238284

Structure parameters

• Chemical name: Poly[μ~2~-aqua-μ~4~-[1-(4-chlorophenyl)-4,4,4-trifluorobutane-1,3-dionato]-potassium]
• Formula: C10 H7 Cl F3 K O3
• Calculated formula: C10 H7 Cl F3 K O3
• SMILES: [K+].Clc1ccc(C(=O)C=C([O-])C(F)(F)F)cc1.O
• Title of publication: Poly[μ~2~-aqua-μ~4~-[1-(4-chlorophenyl)-4,4,4-trifluorobutane-1,3-dionato]-potassium]
• Authors of publication: Martins, João P.; Arranja, Cláudia C.; Sobral, Abílio J. F. N.; Ramos Silva, Manuela
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: m422 - m423
• a: 30.164 ± 0.002 Å
• b: 8.0739 ± 0.0004 Å
• c: 10.2696 ± 0.0005 Å
• α: 90°
• β: 98.752 ± 0.002°
• γ: 90°
• Cell volume: 2471.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes