Information card for entry 2210238

Structure parameters

• Chemical name: Aquabis(2,4-dichlorophenoxyacetato)(1,10-phenanthroline-κ^2^N,N')copper(II)
• Formula: C28 H20 Cl4 Cu N2 O7
• Calculated formula: C28 H20 Cl4 Cu N2 O7
• SMILES: [Cu]1([n]2cccc3ccc4ccc[n]1c4c23)([OH2])(OC(=O)COc1c(Cl)cc(Cl)cc1)OC(=O)COc1c(Cl)cc(Cl)cc1
• Title of publication: Aquabis(2,4-dichlorophenoxyacetato)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)
• Authors of publication: Liu, Ji-Wei; Zhu, Bin; Tian, Ye; Gu, Chang-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2030 - m2032
• a: 8.6317 ± 0.0017 Å
• b: 12.595 ± 0.003 Å
• c: 14.491 ± 0.003 Å
• α: 111.07 ± 0.03°
• β: 95.34 ± 0.03°
• γ: 103.22 ± 0.03°
• Cell volume: 1404.2 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes