Information card for entry 2215660

Structure parameters

• Chemical name: Bis{2,4-dibromo-6-[(naphthalen-1-ylimino)methyl]phenolato-κ^2^N, O}(1,10-phenanthroline-κ^2^N,N')copper(II)
• Formula: C46 H28 Br4 Cu N4 O2
• Calculated formula: C46 H28 Br4 Cu N4 O2
• SMILES: C1c2c(c(cc(c2)Br)Br)O[Cu]23([N]=1c1cccc4c1cccc4)([N](=Cc1c(c(cc(c1)Br)Br)O3)c1cccc3c1cccc3)[n]1c3c4[n]2cccc4ccc3ccc1
• Title of publication: Bis{2,4-dibromo-6-[(naphthalen-1-ylimino)methyl]phenolato-κ^2^<i>N</i>,<i>O</i>}(1,10-phenanthroline-κ^2^<i>N,N</i>')copper(II)
• Authors of publication: Liu, Zheng; Jin, Li Xia; Xia, Jin Hong; Li, Guang Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2488
• a: 20.288 ± 0.002 Å
• b: 14.5052 ± 0.0018 Å
• c: 15.227 ± 0.002 Å
• α: 90°
• β: 116.977 ± 0.002°
• γ: 90°
• Cell volume: 3993.4 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1295
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes