Information card for entry 2209527

Structure parameters

• Chemical name: μ-Benzene-1,4-dicarboxylato- bis[chloro(dipyrido[3,2-a:2',3'-c]phenazine)copper(II)]
• Formula: C44 H24 Cl2 Cu2 N8 O4
• Calculated formula: C44 H24 Cl2 Cu2 N8 O4
• SMILES: c1ccc2c3[n]1[Cu]([n]1c3c(ccc1)c1nc3c(nc21)cccc3)(OC(=O)c1ccc(C(=O)O[Cu]2([n]3cccc4c3c3[n]2cccc3c2nc3c(nc42)cccc3)Cl)cc1)Cl
• Title of publication: μ-Benzene-1,4-dicarboxylato-bis[chloro(dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine)copper(II)]
• Authors of publication: Guang-Bo Che; Zhan-Lin Xu; Chun-Bo Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1695 - m1696
• a: 9.934 ± 0.002 Å
• b: 13.394 ± 0.003 Å
• c: 14.202 ± 0.003 Å
• α: 90°
• β: 107.75 ± 0.03°
• γ: 90°
• Cell volume: 1799.7 ± 0.7 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0665
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes