Information card for entry 2219339

Structure parameters

• Chemical name: 2,9-Bis(1,3-benzothiazol-2-yl)-1,10-phenanthroline dichloromethane disolvate
• Formula: C28 H18 Cl4 N4 S2
• Calculated formula: C28 H18 Cl4 N4 S2
• SMILES: s1c(nc2c1cccc2)c1nc2c(cc1)ccc1ccc(nc21)c1sc2c(n1)cccc2.ClCCl.ClCCl
• Title of publication: 2,9-Bis(1,3-benzothiazol-2-yl)-1,10-phenanthroline dichloromethane disolvate
• Authors of publication: Akther, Jesmin; Lindeman, Sergey; Karim, Mohammad Rezaul
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1836
• a: 8.0969 ± 0.0002 Å
• b: 12.399 ± 0.0002 Å
• c: 14.6006 ± 0.0003 Å
• α: 108.234 ± 0.001°
• β: 102.181 ± 0.001°
• γ: 94.335 ± 0.001°
• Cell volume: 1344.93 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes