Information card for entry 2240072

Structure parameters

• Chemical name: Bis(μ-2,3,4,5-tetrafluorobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(1,10-phenanthroline-κ^2^<i>N</i>:<i>N</i>')(2,3,4,5-tetrafluorobenzoato-κ<i>O</i>)copper(II)] dihydrate
• Formula: C52 H24 Cu2 F16 N4 O10
• Calculated formula: C52 H24 Cu2 F16 N4 O10
• SMILES: C1(c2c(c(c(c(c2)F)F)F)F)=[O][Cu]2([n]3cccc4c3c3[n]2cccc3cc4)(OC(=O)c2cc(F)c(F)c(F)c2F)OC(c2c(c(c(c(c2)F)F)F)F)=[O][Cu]2([n]3cccc4c3c3[n]2cccc3cc4)(O1)OC(=O)c1c(F)c(F)c(F)c(F)c1.O.O
• Title of publication: Crystal structure of bis(μ-2,3,4,5-tetrafluorobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(1,10-phenanthroline-κ^2^<i>N</i>:<i>N</i>')(2,3,4,5-tetrafluorobenzoato-κ<i>O</i>)copper(II)] dihydrate
• Authors of publication: Sun, Junshan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: m365 - m366
• a: 7.188 ± 0.0008 Å
• b: 22.611 ± 0.002 Å
• c: 15.2343 ± 0.0015 Å
• α: 90°
• β: 103.446 ± 0.002°
• γ: 90°
• Cell volume: 2408.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0867
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes