Information card for entry 2205004

Structure parameters

• Chemical name: Poly[di-μ~4~-acetato-di-μ~2~-azido-copper(II)disodium(II)]
• Formula: C4 H6 Cu N6 Na2 O4
• Calculated formula: C4 H6 Cu N6 Na2 O4
• SMILES: C(=O)(C)O[Cu](N=N#N)(N=N#N)OC(C)=O.[Na+].[Na+]
• Title of publication: Poly[di-μ~4~-acetato-di-μ~2~-azido-copper(II)disodium(I)] at 150K
• Authors of publication: Näther, Christian; Greve, Jan; Jeß, Inke
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m314 - m316
• a: 6.6691 ± 0.0004 Å
• b: 7.8721 ± 0.0007 Å
• c: 9.7547 ± 0.0006 Å
• α: 90°
• β: 94.404 ± 0.007°
• γ: 90°
• Cell volume: 510.61 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1046
• 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