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Information card for entry 7104157
Preview
Coordinates | 7104157.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H100 Cl4 N6 O4 Zn |
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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 Å3 |
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 |
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The link is: https://www.crystallography.net/7104157.html
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