Information card for entry 1550649

Structure parameters

• Chemical name: <i>catena</i>-Poly[[{μ~3~-2-[bis(2-hydroxyethyl)amino]ethan-1-ol}sodium] chloride]
• Formula: C6 H15 Cl N Na O3
• Calculated formula: C6 H15 Cl N Na O3
• SMILES: [Na+].N(CCO)(CCO)CCO.[Cl-]
• Title of publication: The sodium chloride complex <i>catena</i>-poly[[{μ~3~-2-[bis(2-hydroxyethyl)amino]ethan-1-ol}sodium] chloride], N(CH~2~CH~2~OH)~3~·NaCl
• Authors of publication: Krabbe, Christina; Gock, Vinusuya; Lutter, Michael; Jurkschat, Klaus
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 2
• Pages of publication: x190238
• a: 7.7981 ± 0.001 Å
• b: 7.2249 ± 0.0008 Å
• c: 8.9956 ± 0.0011 Å
• α: 90°
• β: 110.38 ± 0.014°
• γ: 90°
• Cell volume: 475.09 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0532
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections included in the refinement: 0.0433
• Goodness-of-fit parameter for all reflections included in the refinement: 0.703
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes