Information card for entry 2216639

Structure parameters

• Chemical name: catena-Poly[copper(II)-di-μ~2~-1,1-azido-copper(II)-μ~2~-acetato- μ~2~-1,1-azido-μ~2~-(dimethyl sulfoxide)-copper(II)-di-μ~2~-1,1-azido]
• Formula: C8 H18 Cu3 N12 O6 S2
• Calculated formula: C8 H18 Cu3 N12 O6 S2
• SMILES: [Cu]123([N](=N#N)[Cu]45([O](=S(C)C)[Cu]67([O](=S(C)C)[Cu]([O]=C(O6)C)[N]7=N#N)([O]=C(O4)C)[N]5=N#N)[N]2=N#N)[O](=S(C)C)[Cu]24([O]=C(O1)C)([N]3=N#N)[O](=S(C)C)[Cu]([O]=C(O2)C)([N]4=N#N)(N=N#N)N=N#N
• Title of publication: <i>catena</i>-Poly[copper(II)-di-μ~2~-1,1-azido-copper(II)-μ~2~-acetato-μ~2~-1,1-azido-μ~2~-(dimethyl sulfoxide)-copper(II)-di-μ~2~-1,1-azido]
• Authors of publication: Kelan Li; Feihua Luo; Xuegang Song; Zongqiu Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3156 - m3156
• a: 8.5205 ± 0.0009 Å
• b: 8.6624 ± 0.0009 Å
• c: 9.4999 ± 0.001 Å
• α: 90.386 ± 0.002°
• β: 112.687 ± 0.001°
• γ: 116.261 ± 0.001°
• Cell volume: 566.66 ± 0.1 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: 0.0379
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes