Information card for entry 2236700

Structure parameters

• Chemical name: Bis(benzene-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)copper(II) monohydrate
• Formula: C12 H18 Cu N4 O5 S
• Calculated formula: C12 H16 Cu N4 O5 S
• Title of publication: Bis(benzene-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)copper(II) monohydrate
• Authors of publication: Djebli, Yacine; Boufas, Sihem; Bencharif, Leila; Roisnel, Thierry; Bencharif, Mustafa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m1411 - m1412
• a: 18.6794 ± 0.0004 Å
• b: 7.5317 ± 0.0002 Å
• c: 21.9757 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3091.71 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes