Information card for entry 2235992

Structure parameters

• Chemical name: 4,4',6,6'-Tetrabromo-2,2'-[(<i>E</i>,<i>E</i>)-ethane-1,2-diylbis(nitrilomethanylylidene)]diphenol
• Formula: C16 H12 Br4 N2 O2
• Calculated formula: C16 H12 Br4 N2 O2
• SMILES: Brc1cc(/C=N/CC/N=C/c2cc(Br)cc(c2O)Br)c(c(c1)Br)O
• Title of publication: 4,4',6,6'-Tetrabromo-2,2'-[(<i>E</i>,<i>E</i>)-ethane-1,2-diylbis(nitrilomethanylylidene)]diphenol
• Authors of publication: Kargar, Hadi; Kia, Reza; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2348
• a: 12.723 ± 0.003 Å
• b: 10.291 ± 0.002 Å
• c: 6.9428 ± 0.0018 Å
• α: 90°
• β: 97.046 ± 0.015°
• γ: 90°
• Cell volume: 902.2 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.1319
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1691
• Weighted residual factors for all reflections included in the refinement: 0.2024
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes