Information card for entry 7207213

Structure parameters

• Formula: C26.83 H41.66 Cl1.67 N4 O5 P2 S4
• Calculated formula: C26.833 H41.664 Cl1.666 N4 O5 P2 S4
• Title of publication: Thiophosphorylated bis-thioureas for competitive bulk liquid membrane transport of some metal ions
• Authors of publication: Babashkina, Maria G.; Safin, Damir A.; Robeyns, Koen; Brzuszkiewicz, Anna; Kozlowski, Henryk; Garcia, Yann
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 1324
• a: 21.051 ± 0.011 Å
• b: 15.013 ± 0.008 Å
• c: 15.837 ± 0.008 Å
• α: 90°
• β: 131.65 ± 0.03°
• γ: 90°
• Cell volume: 3740 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1396
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.2027
• Weighted residual factors for all reflections included in the refinement: 0.2232
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No