Information card for entry 2206834

Structure parameters

• Chemical name: Aqua(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^N,N')(thiodiacetato- κ^3^O,S,O')cobalt(II) dihydrate
• Formula: C10 H16 Co N4 O7 S3
• Calculated formula: C10 H16 Co N4 O7 S3
• SMILES: [Co]123(OC(=O)C[S]3CC(=O)O1)([OH2])[n]1c(N)scc1c1[n]2c(N)sc1.O.O
• Title of publication: Aqua(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')(thiodiacetato-κ^3^<i>O</i>,<i>S</i>,<i>O</i>')cobalt(II) dihydrate
• Authors of publication: Bing-Xin Liu; Jian-Yong Yu; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m1978 - m1980
• a: 10.6918 ± 0.0011 Å
• b: 7.1329 ± 0.0007 Å
• c: 22.794 ± 0.002 Å
• α: 90°
• β: 102.538 ± 0.002°
• γ: 90°
• Cell volume: 1696.9 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.052
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes