Information card for entry 2204344

Structure parameters

• Chemical name: Aqua(2,2'-diamino-4,4'-bi-1,3-thiazole)(oxydiacetato-κ^3^O,O',O'')cadmium(II) trihydrate
• Formula: C10 H18 Cd N4 O9 S2
• Calculated formula: C10 H18 Cd N4 O9 S2
• SMILES: [Cd]123(OC(=O)C[O]1CC(=O)O2)([OH2])[n]1c(scc1c1[n]3c(sc1)N)N.O.O.O
• Title of publication: Aqua(2,2'-diamino-4,4'-bi-1,3-thiazole)(oxydiacetato-κ^3^<i>O,O</i>',<i>O</i>'')cadmium(II) trihydrate
• Authors of publication: Bing-Xin Liu; Yi-Guang Tian; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m1453 - m1455
• a: 7.1804 ± 0.0009 Å
• b: 9.8372 ± 0.0012 Å
• c: 12.6069 ± 0.0015 Å
• α: 81.478 ± 0.002°
• β: 86.528 ± 0.002°
• γ: 89.76 ± 0.002°
• Cell volume: 879.03 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes