Information card for entry 7042867

Structure parameters

• Formula: C22 H28 Br2 N4 Pd
• Calculated formula: C22 H28 Br2 N4 Pd
• SMILES: C(C)CCn1c[n](c2c1cccc2)[Pd](Br)([n]1cn(CCCC)c2c1cccc2)Br
• Title of publication: Extraction behaviour and mechanism of Pt(IV) and Pd(II) by liquid-liquid extraction with ionic liquid [HBBIm]Br
• Authors of publication: Liu, Wenhui; Wang, Qi; Zheng, Yan; Wang, Shubin; Yan, Yan; Yang, Yanzhao
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.303 ± 0.003 Å
• b: 5.3098 ± 0.0011 Å
• c: 18.885 ± 0.004 Å
• α: 90°
• β: 101.993 ± 0.002°
• γ: 90°
• Cell volume: 1206.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.073
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No