Information card for entry 2206106

Structure parameters

• Common name: sodium hydrogen diglycolate nitrate
• Chemical name: disodium trihydrogen bis(2,2'-oxydiacetate) nitrate
• Formula: C8 H11 N Na2 O13
• Calculated formula: C8 H11 N Na2 O13
• SMILES: C(=O)(COCC(=O)O)O.O=C(COCC(=O)O)[O-].[Na+].N(=O)(=O)[O-].[Na+]
• Title of publication: Possible strong symmetric hydrogen bonding in disodium trihydrogen bis(2,2'-oxydiacetate) nitrate
• Authors of publication: Price, Daniel J.; Fritsch, Stefan; Wood, Paul T.; Powell, Annie K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1174 - m1177
• a: 12.01 ± 0.002 Å
• b: 7.029 ± 0.0014 Å
• c: 16.382 ± 0.003 Å
• α: 90°
• β: 94.84 ± 0.03°
• γ: 90°
• Cell volume: 1378 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes