Information card for entry 2214930

Structure parameters

• Chemical name: 4,4',6,6'-Tetrabromo-2,2'-[dithiobis(o-phenylenenitrilomethylidyne)]diphenol
• Formula: C26 H16 Br4 N2 O2 S2
• Calculated formula: C26 H16 Br4 N2 O2 S2
• SMILES: Brc1c(O)c(/C=N/c2c(SSc3c(/N=C/c4c(O)c(Br)cc(Br)c4)cccc3)cccc2)cc(Br)c1
• Title of publication: 4,4',6,6'-Tetrabromo-2,2'-[dithiobis(<i>o</i>-phenylenenitrilomethylidyne)]diphenol
• Authors of publication: Jin, Li-Xia; Liu, Zheng; Xia, Jin-Hong; Li, Guang-Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3854 - o3854
• a: 10.4361 ± 0.0017 Å
• b: 11.4199 ± 0.0018 Å
• c: 12.938 ± 0.002 Å
• α: 89.721 ± 0.003°
• β: 71.536 ± 0.002°
• γ: 68.211 ± 0.002°
• Cell volume: 1346.9 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1125
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes