Information card for entry 2242896

Structure parameters

• Chemical name: Dimethylammonium bis[3-carboxy-2-(dimethylamino)propanoato-κ^2^<i>N</i>,<i>O</i>^1^]\ chloridochromium(II) monohydrate
• Formula: C14 H30 Cl Cr N3 O9
• Calculated formula: C14 H30 Cl Cr N3 O9
• SMILES: [Cr]12(Cl)(OC(=O)[C@@H]([N]1(C)C)CC(=O)O)OC(=O)[C@@H]([N]2(C)C)CC(=O)O.[NH2+](C)C.O
• Title of publication: Sonochemical synthesis and crystal structure of dimethylammonium bis[3-carboxy-2-(dimethylamino)propanoato-κ^2^<i>N</i>,<i>O</i>^1^]chloridochromium(II) monohydrate
• Authors of publication: Saidi, Meriem; Giorgi, Michel; Boukli-hacene, Leila
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 5
• Pages of publication: 604 - 606
• a: 8.2246 ± 0.0002 Å
• b: 15.1419 ± 0.0004 Å
• c: 8.6851 ± 0.0002 Å
• α: 90°
• β: 93.339 ± 0.002°
• γ: 90°
• Cell volume: 1079.77 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes