Information card for entry 2014788

Structure parameters

• Common name: Bis(acesulfamato-κ^2^N^3^,O^4^)bis(2-aminopyrimidine-κN^1^)copper(II)
• Chemical name: bis[6-methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide(1-)-κ^2^N^3^,O^4^]bis(2-aminopyrimidine-κN^1^)copper(II)
• Formula: C16 H18 Cu N8 O8 S2
• Calculated formula: C16 H18 Cu N8 O8 S2
• SMILES: C12C=C(C)OS(=O)(=O)[N]=1[Cu]1([n]3c(nccc3)N)(O2)([N]2=C(C=C(C)OS2(=O)=O)O1)[n]1c(nccc1)N
• Title of publication: Bis(acesulfamato-κ^2^<i>N</i>^3^,<i>O</i>^4^)bis(2-aminopyrimidine-κ<i>N</i>^1^)copper(II)
• Authors of publication: Bulut, Ahmet; İçbudak, Hasan; Sezer, Gözde; Kazak, Canan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m228 - m230
• a: 10.6129 ± 0.0009 Å
• b: 8.975 ± 0.0005 Å
• c: 12.6808 ± 0.001 Å
• α: 90°
• β: 113.227 ± 0.006°
• γ: 90°
• Cell volume: 1109.96 ± 0.15 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes