Information card for entry 2202864

Structure parameters

• Formula: C12 H16 Cl2 Co N8 O2 S4
• Calculated formula: C12 H16 Cl2 Co N8 O2 S4
• SMILES: [Co]12(Cl)(Cl)([n]3c(scc3c3[n]1c(sc3)N)N)[n]1c(scc1c1[n]2c(sc1)N)N.O.O
• Title of publication: Bis(2,2'-diamino-4,4'-bi-1,3-thiazole-<i>N,N</i>')(dichloro)cobalt(II) dihydrate
• Authors of publication: Jia-Geng Liu; Duan-Jun Xu; Yuan-Zhi Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: m886 - m888
• a: 10.8616 ± 0.0012 Å
• b: 13.6096 ± 0.0015 Å
• c: 15.0657 ± 0.0017 Å
• α: 90°
• β: 106.282 ± 0.012°
• γ: 90°
• Cell volume: 2137.7 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• 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: 0.088
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.863
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes