Information card for entry 2008498

Structure parameters

• Chemical name: Bis{[2-(1,5-diazacyclooctane)methyl phenol]copper}-di(μ-(end-on)azide)
• Formula: C26 H38 Cu2 N10 O2
• Calculated formula: C26 H38 Cu2 N10 O2
• SMILES: C1CC[N]23CCC[NH]1[Cu]13([N](=N#N)[Cu]34([N]5(CCC[NH]3CCC5)Cc3c(O4)cccc3)[N]1=N#N)Oc1c(C2)cccc1
• Title of publication: Bis(μ-azido-κ<i>N</i>^1^:κ<i>N</i>^1^)bis{[2-(1,5-diazacyclooct-1-yl-κ^2^<i>N</i>,<i>N</i>'-methyl)phenolato-κ<i>O</i>]copper(II)}
• Authors of publication: Weiming Bu; Ling Ye; Qiang Xu; Xianhe Bu; Guangdi Yang; Yuguo Fan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: IUC9900044
• a: 8.1864 ± 0.0006 Å
• b: 18.141 ± 0.002 Å
• c: 9.3307 ± 0.0007 Å
• α: 90°
• β: 103.662 ± 0.006°
• γ: 90°
• Cell volume: 1346.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.051
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.05
• Goodness-of-fit parameter for all reflections: 1.002
• Goodness-of-fit parameter for significantly intense reflections: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No