Information card for entry 2230457

Structure parameters

• Chemical name: {<i>N</i>,<i>N</i>'-[2,2'-(Ethane-1,2-diyldisulfanediyl)di-<i>o</i>- phenylene]bis(quinoline-2-carboxamidato)}copper(II)
• Formula: C34 H24 Cu N4 O2 S2
• Calculated formula: C34 H24 Cu N4 O2 S2
• SMILES: [S]12[Cu]345(N(C(=O)c6[n]3c3ccccc3cc6)c3ccccc13)[S](c1c(N4C(=O)c3ccc4ccccc4[n]53)cccc1)CC2
• Title of publication: {<i>N</i>,<i>N</i>'-[2,2'-(Ethane-1,2-diyldisulfanediyl)di-<i>o</i>-phenylene]bis(quinoline-2-carboxamidato)}copper(II)
• Authors of publication: Meghdadi, Soraia; Mirkhani, Valiollah; Ford, Peter C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m820 - m821
• a: 11.4124 ± 0.0015 Å
• b: 13.5097 ± 0.0018 Å
• c: 18.606 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2868.6 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.223
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes