Information card for entry 2222956

Structure parameters

• Chemical name: Bis{μ-2-[1-(2-Pyridylmethylimino)ethyl]phenolato}bis[azidocopper(II)]
• Formula: C28 H26 Cu2 N10 O2
• Calculated formula: C28 H26 Cu2 N10 O2
• SMILES: CC1=[N]2[Cu]3([O](c4c1cccc4)[Cu]14([N](=C(c5c([O]34)cccc5)C)Cc3[n]1cccc3)N=N#N)([n]1c(C2)cccc1)N=N#N
• Title of publication: Bis{μ-2-[1-(2-Pyridylmethylimino)ethyl]phenolato}bis[azidocopper(II)]
• Authors of publication: Zhang, Jun; Chen, Xiao-Dan; Zhang, Huai-Hong; Sun, Bai-Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m1136
• a: 10.1066 ± 0.0012 Å
• b: 8.0545 ± 0.001 Å
• c: 16.7027 ± 0.0018 Å
• α: 90°
• β: 96.251 ± 0.001°
• γ: 90°
• Cell volume: 1351.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0581
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes