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Information card for entry 7205894
Preview
| Coordinates | 7205894.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H40 Cu2 N4 O10 |
|---|---|
| Calculated formula | C44 H40 Cu2 N4 O10 |
| SMILES | [Cu]12(Oc3ccc4ccccc4c3C=[N]2[C@H](C(=O)O1)Cc1c[nH]c2c1cccc2)[O]=C1O[Cu]2([N](=Cc3c(O2)ccc2ccccc32)[C@H]1Cc1c[nH]c2c1cccc2)([OH2])[OH2].O.O |
| Title of publication | Lipid-bilayer-mimicking solid-state structures of Cu(ii) and Ni(ii) with l-tryptophan and l-tyrosine Schiff base derivatives |
| Authors of publication | New, Siu Yee; Wu, Xuan; Bai, Shi-Qiang; Koh, Lip Lin; Hor, T. S. Andy; Xue, Feng |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 12 |
| Pages of publication | 4228 |
| a | 6.0496 ± 0.0013 Å |
| b | 8.1335 ± 0.0017 Å |
| c | 19.475 ± 0.004 Å |
| α | 84.322 ± 0.005° |
| β | 81.261 ± 0.004° |
| γ | 89.672 ± 0.005° |
| Cell volume | 942.4 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0549 |
| Residual factor for significantly intense reflections | 0.0521 |
| Weighted residual factors for significantly intense reflections | 0.129 |
| Weighted residual factors for all reflections included in the refinement | 0.1304 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.127 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180389 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/58. |
7205894.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205894.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205894.cif |
| 21045 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7205894, 7205895, 7205896 via cif-deposit CGI script. |
7205894.cif |
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