Information card for entry 7025172

Structure parameters

• Common name: Na4(Cr(D-MannH-3)2)*NO3
• Formula: C12 H35 Cr N Na4 O23.5
• Calculated formula: C12 H34 Cr N0.922 Na4 O23.247
• SMILES: N(=O)(=O)[O-].[Na+].O1[C@H]2[C@@H]3[C@H]([C@@H]([C@H](O)CO)O2)O[Cr]241(O[C@H]1[C@H](O[C@@H](O4)[C@H]1O2)[C@H](O)CO)O3.[Na+].O.O.O.[Na+].O.O.[Na+].O.O.O.O
• Title of publication: The tridentate metal-binding sites of the common glycoses.
• Authors of publication: Ghaschghaie, Natascha; Hoffmann, Thomas; Steinborn, Martin; Klüfers, Peter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 23
• Pages of publication: 5535 - 5543
• a: 8.3571 ± 0.0001 Å
• b: 17.7714 ± 0.0003 Å
• c: 9.2378 ± 0.0002 Å
• α: 90°
• β: 96.1433 ± 0.0009°
• γ: 90°
• Cell volume: 1364.09 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0525
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No