Information card for entry 2233744

Structure parameters

• Chemical name: Di-μ-chlorido-bis[(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')(trichloroacetato-κ<i>O</i>)copper(II)]
• Formula: C28 H16 Cl8 Cu2 N4 O4
• Calculated formula: C28 H16 Cl8 Cu2 N4 O4
• SMILES: c12c3ccc[n]1[Cu]1([n]4cccc(cc3)c24)(OC(=O)C(Cl)(Cl)Cl)[Cl][Cu]2([n]3cccc4ccc5c([n]2ccc5)c34)(OC(=O)C(Cl)(Cl)Cl)[Cl]1
• Title of publication: Di-μ-chlorido-bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(trichloroacetato-κ<i>O</i>)copper(II)]
• Authors of publication: Shahverdizadeh, Gholam Hossein; Ng, Seik Weng; Tiekink, Edward R. T.; Mirtamizdoust, Babak
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m242 - m243
• a: 9.2961 ± 0.0002 Å
• b: 17.3529 ± 0.0002 Å
• c: 10.6201 ± 0.0002 Å
• α: 90°
• β: 115.269 ± 0.003°
• γ: 90°
• Cell volume: 1549.25 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0271
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes