Information card for entry 7104157

Structure parameters

• Formula: C56 H100 Cl4 N6 O4 Zn
• Calculated formula: C56 H100 Cl4 N6 O4 Zn
• SMILES: c1(cc([nH+]c(c1)C(C(=O)NCCCCCC)C(=O)NCCCCCC)C(C)(C)C)C(C)(C)C.Cl[Zn](Cl)([Cl-])[Cl-].c1(cc(cc([nH+]1)C(C)(C)C)C(C)(C)C)C(C(=O)NCCCCCC)C(=O)NCCCCCC
• Title of publication: Outer-sphere amidopyridyl extractants for zinc(ii) and cobalt(ii) chlorometallates.
• Authors of publication: Ellis, Ross J; Chartres, Jy; Sole, Kathryn C; Simmance, Timothy G; Tong, Christine C; White, Fraser J; Schröder, Martin; Tasker, Peter A
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 5
• Pages of publication: 583 - 585
• a: 19.6101 ± 0.0004 Å
• b: 19.6101 ± 0.0004 Å
• c: 33.3823 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12837.4 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.2047
• Weighted residual factors for all reflections included in the refinement: 0.2086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No