Information card for entry 2239562

Structure parameters

• Common name: Diaquabis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(sulfamerazinate)
• Chemical name: Diaquabis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) bis[(4-aminophenylsulfonyl)(4-methylpyrimidin-2-yl)azanide]
• Formula: C26 H42 Cu N12 O6 S2
• Calculated formula: C26 H42 Cu N12 O6 S2
• SMILES: S(=O)([O-])(c1ccc(cc1)N)=Nc1nccc(C)n1.[Cu]12([OH2])([NH2]CC[NH2]1)([NH2]CC[NH2]2)[OH2].O=S([O-])(c1ccc(cc1)N)=Nc1nccc(C)n1
• Title of publication: Diaquabis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(sulfamerazinate)
• Authors of publication: Direm, Amani; Falek, Wahiba; Pilet, Guillaume; Benali-Cherif, Nourredine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: m222 - m223
• a: 7.5429 ± 0.0004 Å
• b: 8.18 ± 0.0005 Å
• c: 14.8434 ± 0.0008 Å
• α: 75.299 ± 0.005°
• β: 82.8 ± 0.005°
• γ: 78.873 ± 0.005°
• Cell volume: 866.4 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes