Information card for entry 2010075

Structure parameters

• Common name: Bis(2-mercaptobenzothiazolato)- 2-2'- bipyridine-cadmium(II)
• Chemical name: Bis(benzothiazole-2-thiolate)- 2-2'- bipyridine-cadmium(II)
• Formula: C24 H16 Cd N4 S4
• Calculated formula: C24 H16 Cd N4 S4
• SMILES: c1cccc2[n]1[Cd]13([n]4ccccc24)([n]2c4ccccc4sc2S1)[n]1c2ccccc2sc1S3
• Title of publication: Bis(1,3-benzothiazole-2-thiolato-<i>N</i>,<i>S</i>')(2,2'-bipyridine-<i>N</i>,<i>N</i>')cadmium(II)
• Authors of publication: Baggio, R.F.; Perec, M.; Garland, M.T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 10
• Pages of publication: 1594 - 1596
• a: 19.411 ± 0.004 Å
• b: 8.558 ± 0.001 Å
• c: 14.522 ± 0.002 Å
• α: 90°
• β: 93.21 ± 0.01°
• γ: 90°
• Cell volume: 2408.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.074
• Goodness-of-fit parameter for all reflections: 1.059
• Goodness-of-fit parameter for significantly intense reflections: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No