Information card for entry 2213847

Structure parameters

• Chemical name: Di-μ-chlorido-bis[(2-anilinobenzoato-κ^2^O,O')(1,10-phenanthroline- κ^2^N,N')copper(II)]
• Formula: C50 H36 Cl2 Cu2 N6 O4
• Calculated formula: C50 H36 Cl2 Cu2 N6 O4
• SMILES: c1ccc2c3c4c(ccc[n]4[Cu]4([n]13)(OC(=O)c1ccccc1Nc1ccccc1)[Cl][Cu]1([n]3cccc5c3c3c(cc5)ccc[n]13)(OC(=O)c1ccccc1Nc1ccccc1)[Cl]4)cc2
• Title of publication: Di-μ-chlorido-bis[(2-anilinobenzoato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]
• Authors of publication: Hui Jiang; Jian-Fang Ma; Wen-Li Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1681 - m1681
• a: 14.1685 ± 0.0018 Å
• b: 10.3545 ± 0.0013 Å
• c: 14.9955 ± 0.0019 Å
• α: 90°
• β: 100.843 ± 0.002°
• γ: 90°
• Cell volume: 2160.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0745
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes