Information card for entry 2225607

Structure parameters

• Chemical name: <i>catena</i>-Poly[sodium-di-μ-aqua-sodium-bis[μ-2,2,2-trichloro-<i>N</i>- (dimorpholinophosphoryl)acetamide]]
• Formula: C10 H18 Cl3 N3 Na O5 P
• Calculated formula: C10 H18 Cl3 N3 Na O5 P
• SMILES: C1COCCN1P(=O)(/N=C(\[O-])C(Cl)(Cl)Cl)N1CCOCC1.[Na+].O
• Title of publication: <i>catena</i>-Poly[sodium-di-μ-aqua-sodium-bis[μ-2,2,2-trichloro-<i>N</i>-(dimorpholinophosphoryl)acetamide]]
• Authors of publication: Litsis, Olena O.; Ovchynnikov, Vladimir A.; Sliva, Tetyana Yu.; Konovalova, Irina S.; Amirkhanov, Vladimir M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m426 - m427
• a: 7.522 ± 0.005 Å
• b: 10.329 ± 0.004 Å
• c: 12.451 ± 0.005 Å
• α: 84.17 ± 0.04°
• β: 80.89 ± 0.04°
• γ: 70.16 ± 0.05°
• Cell volume: 897.3 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes