Information card for entry 2227946

Structure parameters

• Chemical name: Bis{1-[(<i>E</i>)-<i>o</i>-tolyldiazenyl]-2-naphtholato}copper(II)
• Formula: C34 H26 Cu N4 O2
• Calculated formula: C34 H26 Cu N4 O2
• SMILES: [Cu]12(Oc3c(N=[N]2c2c(C)cccc2)c2ccccc2cc3)Oc2c(N=[N]1c1c(cccc1)C)c1ccccc1cc2
• Title of publication: Bis{1-[(<i>E</i>)-<i>o</i>-tolyldiazenyl]-2-naphtholato}copper(II)
• Authors of publication: Tai, Wan-Ju; Li, Chi-Huan; Li, Chen-Yu; Ko, Bao-Tsan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1315
• a: 12.9777 ± 0.0002 Å
• b: 15.2771 ± 0.0003 Å
• c: 15.1674 ± 0.0002 Å
• α: 90°
• β: 114.514 ± 0.001°
• γ: 90°
• Cell volume: 2736.05 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1398
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes