Information card for entry 7207212

Structure parameters

• Formula: C30 H49 N4 O4 P2 S4
• Calculated formula: C30 H49 N4 O4 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: 8.511 Å
• b: 23.619 ± 0.009 Å
• c: 19.907 ± 0.009 Å
• α: 90°
• β: 109.35 ± 0.04°
• γ: 90°
• Cell volume: 3776 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1617
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.1684
• Weighted residual factors for all reflections included in the refinement: 0.1819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No