Information card for entry 2213145

Structure parameters

• Chemical name: Bis[μ-4,5-dicyano-N,N'-bis(p-tolylsulfonyl)-o- phenylendiaminato]bis[diamminecopper(II)] dihydrate
• Formula: C22 H24 Cu N6 O5 S2
• Calculated formula: C22 H24 Cu N6 O5 S2
• SMILES: c1(ccc(cc1)C)S(=O)(=O)N1c2cc(c(cc2N([Cu]1([NH3])[NH3])S(=O)(=O)c1ccc(cc1)C)C#N)C#N.O
• Title of publication: Bis[μ-4,5-dicyano-<i>N</i>,<i>N</i>'-bis(<i>p</i>-tolylsulfonyl)-<i>o</i>-phenylenediaminato]bis[diamminecopper(II)] dihydrate
• Authors of publication: Yuksel, Fatma; Tuncel, Sinem; Gurek, Ayse Gul; Jeanneau, Erwann; Luneau, Dominique; Ahsen, Vefa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1380 - m1382
• a: 14.1946 ± 0.0008 Å
• b: 10.1475 ± 0.0007 Å
• c: 19.267 ± 0.001 Å
• α: 90°
• β: 118.117 ± 0.003°
• γ: 90°
• Cell volume: 2447.7 ± 0.3 ų
• Cell temperature: 293 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 significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0528
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes