Information card for entry 2212636

Structure parameters

• Chemical name: μ-Oxalato-κ^4^O,O':O'',O'''-bis[chloro(1,10-phenanthroline- κ^2^N,N')copper(II)]
• Formula: C26 H16 Cl2 Cu2 N4 O4
• Calculated formula: C26 H16 Cl2 Cu2 N4 O4
• SMILES: c1ccc2c3[n]1[Cu]1([n]4cccc(c34)cc2)([O]=C2C(O1)=[O][Cu]1([n]3cccc4ccc5ccc[n]1c5c34)(O2)Cl)Cl
• Title of publication: μ-Oxalato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''-bis[chloro(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]
• Authors of publication: Wang, Min; Hu, Bo; Deng, Xiao-Tao; Wang, Cheng-Gang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m710 - m711
• a: 8.6169 ± 0.0009 Å
• b: 11.8268 ± 0.0013 Å
• c: 13.338 ± 0.0011 Å
• α: 90°
• β: 119.472 ± 0.005°
• γ: 90°
• Cell volume: 1183.4 ± 0.2 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes