Information card for entry 7018195

Structure parameters

• Formula: C15 H25 N2 O2 P S2
• Calculated formula: C15 H25 N2 O2 P S2
• Title of publication: N-(Diisopropylthiophosphoryl)-N'-(R)-thioureas: synthesis, characterization, crystal structures and competitive bulk liquid membrane transport of some metal ions.
• Authors of publication: Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Garcia, Yann
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 11
• Pages of publication: 3223 - 3232
• a: 9.6981 ± 0.0005 Å
• b: 16.1422 ± 0.001 Å
• c: 13.1345 ± 0.0006 Å
• α: 90°
• β: 111.037 ± 0.003°
• γ: 90°
• Cell volume: 1919.14 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No