Information card for entry 2216522

Structure parameters

• Chemical name: catena-Poly[{di-μ-azido-bis[azido(N,N-diethylethane-1,2-diamine)copper(II)]} [[azido(N,N-diethylethane-1,2-diamine)copper(II)]-μ-azido]]
• Formula: C36 H96 Cu6 N48
• Calculated formula: C36 H96 Cu6 N48
• SMILES: C1C[N](CC)(CC)[Cu]([NH2]1)(N=N#N)N=N#N.C1C[NH2][Cu](N=N#N)([N]1(CC)CC)N=N#N.C1C[N](CC)([Cu]2([NH2]1)([N](=N#N)[Cu]1(N=N#N)([N]2=N#N)[N](CC[NH2]1)(CC)CC)N=N#N)CC.C1C[N](CC)(CC)[Cu]([NH2]1)(N=N#N)N=N#N.C1C[NH2][Cu](N=N#N)([N]1(CC)CC)N=N#N
• Title of publication: <i>catena</i>-Poly[{di-μ-azido-bis[azido(<i>N</i>,<i>N</i>-diethylethane-1,2-diamine)copper(II)]} [[azido(<i>N</i>,<i>N</i>-diethylethane-1,2-diamine)copper(II)]-μ-azido]]
• Authors of publication: Yuan, Chun-Lan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3148 - m3149
• a: 22.722 ± 0.002 Å
• b: 13.201 ± 0.0012 Å
• c: 11.6488 ± 0.001 Å
• α: 90°
• β: 92.478 ± 0.002°
• γ: 90°
• Cell volume: 3490.8 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0453
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes