Information card for entry 7225719

Structure parameters

• Chemical name: 2-Mercaptobenzothiazolate palladium complexes
• Formula: C26 H0 Cl N0 O8 Pd2 S10
• Calculated formula: C28 H24 N4 O4 Pd2 S8
• SMILES: c1cccc2c1sc1[n]2[Pd]234[n]5c(S[Pd]4(S1)([n]1c4ccccc4sc1S2)[n]1c(S3)sc2ccccc12)sc1c5cccc1.O.O.O.O
• Title of publication: A 2-Mercaptobenzothiazole-functionalized ionic liquid for selective extraction of Pd(II) from hydrochloric acid medium
• Authors of publication: Zhang, Hong; Wang, Chen; Zheng, Yan; Wang, Shubin; Liu, Zhaohui; Yang, Yanzhao
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.786 ± 0.003 Å
• b: 10.872 ± 0.005 Å
• c: 11.188 ± 0.005 Å
• α: 75.96 ± 0.005°
• β: 83.809 ± 0.004°
• γ: 71.052 ± 0.004°
• Cell volume: 868.5 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1398
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No