Information card for entry 1508510

Structure parameters

• Formula: C16 H38 N P S2
• Calculated formula: C16 H38 N P S2
• Title of publication: Degradation of CYANEX 301 in Contact with Nitric Acid Media
• Authors of publication: Marc, Philippe; Custelcean, Radu; Groenewold, Gary S.; Klaehn, John R.; Peterman, Dean R.; Delmau, Lætitia H.
• Journal of publication: Industrial & Engineering Chemistry Research
• Year of publication: 2012
• Journal volume: 51
• Journal issue: 40
• Pages of publication: 13238
• a: 8.3942 ± 0.0008 Å
• b: 9.6626 ± 0.001 Å
• c: 26.242 ± 0.003 Å
• α: 90°
• β: 90.562 ± 0.002°
• γ: 90°
• Cell volume: 2128.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0862
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No