Information card for entry 2010568

Structure parameters

• Chemical name: Morpholinium-dimorpholidodithiophosphate
• Formula: C12 H26 N3 O3 P S2
• Calculated formula: C12 H26 N3 O3 P S2
• SMILES: C1COCC[NH2+]1.C1COCCN1P(N1CCOCC1)(=S)[S-]
• Title of publication: Morpholinium dimorpholinidodithiophosphate
• Authors of publication: Ziemer, Burkhard; Rabis, Annegrit
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 1
• Pages of publication: e33 - e33
• a: 7.355 ± 0.002 Å
• b: 8.291 ± 0.003 Å
• c: 14.374 ± 0.005 Å
• α: 95.78 ± 0.04°
• β: 98.68 ± 0.04°
• γ: 98.51 ± 0.04°
• Cell volume: 850.1 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections: 0.903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No