Information card for entry 2013848

Structure parameters

• Formula: C10 H15 Cl Cr N5 O6 S2
• Calculated formula: C10 H15 Cl Cr N5 O6 S2
• SMILES: [Cr]123([OH2])(OC(=O)C[NH]3CC(=O)O1)[n]1c(scc1c1[n]2c(sc1)N)N.[Cl-].O
• Title of publication: Aqua(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')(iminodiacetato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')chromium(III) chloride monohydrate
• Authors of publication: Bing-Xin Liu; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: m137 - m139
• a: 7.9449 ± 0.001 Å
• b: 10.7342 ± 0.0011 Å
• c: 10.8835 ± 0.0012 Å
• α: 89.0403 ± 0.0012°
• β: 69.574 ± 0.0011°
• γ: 82.2042 ± 0.0015°
• Cell volume: 861.3 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.084
• 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