Information card for entry 2235248

Structure parameters

• Chemical name: {4,4',6,6'-Tetraiodo-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}copper(II)
• Formula: C19 H16 Cu I4 N2 O2
• Calculated formula: C19 H16 Cu I4 N2 O2
• SMILES: c12c(cc(cc1C=[N]1CC(C[N]3[Cu]1(O2)Oc1c(cc(cc1C=3)I)I)(C)C)I)I
• Title of publication: {4,4',6,6'-Tetraiodo-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}copper(II)
• Authors of publication: Kargar, Hadi; Kia, Reza; Shakarami, Tayebeh; Tahir, Muhammad Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m752
• a: 16.9336 ± 0.001 Å
• b: 15.9602 ± 0.0012 Å
• c: 8.7041 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2352.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes