Information card for entry 2217288

Structure parameters

• Chemical name: (Azido-κ<i>N</i>)[6-methoxy-2-(2-pyridylmethyliminomethyl)phenolato- κ^3^<i>N</i>,<i>N'</i>,<i>O</i>^1^]copper(II)
• Formula: C14 H13 Cu N5 O2
• Calculated formula: C14 H13 Cu N5 O2
• SMILES: [Cu]12([N](=Cc3c(O1)c(OC)ccc3)Cc1[n]2cccc1)N=N#N
• Title of publication: (Azido-κ<i>N</i>)[6-methoxy-2-(2-pyridylmethyliminomethyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>^1^]copper(II)
• Authors of publication: Sun, Xuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m33 - m33
• a: 6.7197 ± 0.0002 Å
• b: 10.282 ± 0.0002 Å
• c: 10.5549 ± 0.0005 Å
• α: 86.13 ± 0.002°
• β: 81.155 ± 0.002°
• γ: 76.289 ± 0.003°
• Cell volume: 699.69 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes