Information card for entry 2206338

Structure parameters

• Chemical name: Caesium bis[N-(carbamoylmethyl)iminodiacetato]chromium(III) dihydrate
• Formula: C12 H20 Cr Cs N4 O12
• Calculated formula: C12 H20 Cr Cs N4 O12
• SMILES: [Cr]1234([N](CC(=O)O1)(CC(=O)O2)CC(=O)N)[N](CC(O3)=O)(CC(=O)O4)CC(=O)N.[Cs+].O.O
• Title of publication: Caesium bis[<i>N</i>-(carbamoylmethyl)iminodiacetato]chromate(III) dihydrate
• Authors of publication: Visser, Hendrik G.; Purcell, Walter; Cloete, Nicoline; Muller, Alfred
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1668 - m1670
• a: 9.1471 ± 0.0011 Å
• b: 12.1267 ± 0.0014 Å
• c: 17.475 ± 0.002 Å
• α: 90°
• β: 94.516 ± 0.002°
• γ: 90°
• Cell volume: 1932.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes