Information card for entry 2208245

Structure parameters

• Common name: [Cr(5-SSA)(en)~2~].2H~2~O
• Chemical name: Bis(ethylenediamine-κ^2^N,N')(2-oxido-5-sulfonatobenzoato- κ^2^O^1^,O^2^)chromium(III) dihydrate
• Formula: C11 H23 Cr N4 O8 S
• Calculated formula: C11 H23 Cr N4 O8 S
• SMILES: [Cr]123(Oc4ccc(cc4C(=O)O1)S(=O)(=O)[O-])([NH2]CC[NH2]2)[NH2]CC[NH2]3.O.O
• Title of publication: Bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')(2-oxido-5-sulfonatobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^2^)chromium(III) dihydrate
• Authors of publication: Liu, Bin; Wang, Zhi-Jun; Huang, Shu-Ping; Yang, Bin-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m608 - m610
• a: 11.995 ± 0.003 Å
• b: 10.138 ± 0.003 Å
• c: 14.933 ± 0.004 Å
• α: 90°
• β: 105.081 ± 0.004°
• γ: 90°
• Cell volume: 1753.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.097
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.314
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes