Information card for entry 2220978

Structure parameters

• Chemical name: (2'-Amino-4,4'-bi-1,3-thiazol-2-aminium- κ^2^<i>N</i>,<i>N</i>')aqua[citrato(4-)- κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')chromium(III) dihydrate
• Formula: C12 H17 Cr N4 O10 S2
• Calculated formula: C12 H17 Cr N4 O10 S2
• SMILES: [Cr]123([OH2])(OC(=O)CC(O2)(C(=O)O1)CC(=O)[O-])[n]1c(csc1N)c1[n]3c([NH3+])sc1.O.O
• Title of publication: (2'-Amino-4,4'-bi-1,3-thiazol-2-aminium-κ^2^<i>N</i>,<i>N</i>')aqua[citrato(4{-})-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')chromium(III) dihydrate
• Authors of publication: Liu, Bing-Xin; Du, Mei; Chen, Guang-Hua; Sun, Xiao-Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: m320
• a: 7.7438 ± 0.0015 Å
• b: 11.193 ± 0.002 Å
• c: 12.057 ± 0.002 Å
• α: 72.35 ± 0.003°
• β: 77.09 ± 0.002°
• γ: 82.273 ± 0.003°
• Cell volume: 968.2 ± 0.3 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: 0.0941
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes