Information card for entry 2214054

Structure parameters

• Chemical name: Aqua(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')(pyridine- 2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')cobalt(II) tetrahydrate
• Formula: C13 H19 Co N5 O9 S2
• Calculated formula: C13 H19 Co N5 O9 S2
• SMILES: [Co]123([n]4c(csc4N)c4[n]1c(N)sc4)([n]1c(cccc1C(=O)O3)C(=O)O2)[OH2].O.O.O.O
• Title of publication: Aqua(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')cobalt(II) tetrahydrate
• Authors of publication: Wei, Cui-E; Chen, Guang-Hua; Liu, Bing-Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1964 - m1965
• a: 10.0259 ± 0.0015 Å
• b: 7.0956 ± 0.0011 Å
• c: 27.648 ± 0.004 Å
• α: 90°
• β: 93.528 ± 0.002°
• γ: 90°
• Cell volume: 1963.1 ± 0.5 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: 0.0899
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes