Information card for entry 2238218

Structure parameters

• Chemical name: <i>catena</i>-Poly[bis(μ~3~-2-phenylacetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)bis(μ~2~-2-phenylacetato-κ^2^<i>O</i>:<i>O</i>')dicopper(II)(<i>Cu</i>—<i>Cu</i>)]
• Formula: C32 H28 Cu2 O8
• Calculated formula: C32 H28 Cu2 O8
• SMILES: [Cu]12345[Cu]([O]=C(O4)Cc4ccccc4)(OC(=[O]2)Cc2ccccc2)(OC(=[O]1)Cc1ccccc1)[O]=C(Cc1ccccc1)[O]5[Cu]1245[Cu]([O]=C([O]31)Cc1ccccc1)([O]=C(O5)Cc1ccccc1)(OC(=[O]2)Cc1ccccc1)OC(=[O]4)Cc1ccccc1
• Title of publication: <i>catena</i>-Poly[bis(μ~3~-2-phenylacetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)bis(μ~2~-2-phenylacetato-κ^2^<i>O</i>:<i>O</i>')dicopper(II)(<i>Cu</i>—<i>Cu</i>)]
• Authors of publication: Benslimane, Meriem; Redjel, Yasmine Kheira; Merazig, Hocine; Daran, Jean-Claude
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: m397
• a: 5.1829 ± 0.0006 Å
• b: 26.328 ± 0.004 Å
• c: 10.2279 ± 0.0013 Å
• α: 90°
• β: 97.892 ± 0.007°
• γ: 90°
• Cell volume: 1382.4 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• 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: 0.0929
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.2497
• Weighted residual factors for all reflections included in the refinement: 0.2543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes