Information card for entry 2233095

Structure parameters

• Chemical name: <i>trans</i>-Bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis(6-methyl-2,2,4- trioxo-3,4-dihydro-1,2λ^6^,3-oxathiazin-3-ido-κ<i>N</i>)copper(II)
• Formula: C12 H24 Cu N6 O8 S2
• Calculated formula: C12 H24 Cu N6 O8 S2
• SMILES: C1(=O)C=C(OS(=O)([O-])=N1)C.C1C[NH2][Cu]2([NH2]1)[NH2]CC[NH2]2.C1(=O)C=C(C)OS(=O)([O-])=N1
• Title of publication: <i>trans</i>-Bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis(6-methyl-2,2,4-trioxo-3,4-dihydro-1,2λ^6^,3-oxathiazin-3-ido-κ<i>N</i>)copper(II)
• Authors of publication: Dege, Necmi; Demirtaş, Güneş; Içbudak, Hasan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: m47 - m48
• a: 6.9853 ± 0.0003 Å
• b: 17.5355 ± 0.0006 Å
• c: 8.4092 ± 0.0004 Å
• α: 90°
• β: 93.017 ± 0.003°
• γ: 90°
• Cell volume: 1028.62 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0277
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes