Information card for entry 2231328

Structure parameters

• Common name: Bis(2-hydroxybenzophenone)-2,2'-dimethylpropanediimine copper(II)
• Chemical name: {2,2'-[(2,2-Dimethylpropane-1,3- diyldinitrilo)bis(phenylmethylidyne)]diphenolato}copper(II)
• Formula: C31 H28 Cu N2 O2
• Calculated formula: C31 H28 Cu N2 O2
• SMILES: c12ccccc1C(=[N]1[Cu]3(O2)[N](=C(c2c(cccc2)O3)c2ccccc2)CC(C1)(C)C)c1ccccc1
• Title of publication: {2,2'-[(2,2-Dimethylpropane-1,3-diyldinitrilo)bis(phenylmethylidyne)]diphenolato}copper(II)
• Authors of publication: Kargar, Hadi; Kia, Reza; Moghadam, Majid; Froozandeh, Fatemeh; Tahir, Muhammad Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1145
• a: 9.7435 ± 0.0014 Å
• b: 9.7435 ± 0.0014 Å
• c: 25.717 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2441.5 ± 0.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.1324
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.84
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes