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Information card for entry 7112779
Preview
| Coordinates | 7112779.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H71 N3 O2 Zn |
|---|---|
| Calculated formula | C51 H71 N3 O2 Zn |
| SMILES | c12c(cc(cc1C=[N]1c3ccccc3[N]3=Cc4cc(cc(c4O[Zn]13([n]1ccccc1)O2)C)CCCCCCCCCCCC)CCCCCCCCCCCC)C |
| Title of publication | Axial ligand control over monolayer and bilayer formation of metal-salophens at the liquid‒solid interface |
| Authors of publication | Elemans, Johannes A. A. W.; Wezenberg, Sander J.; Coenen, Michiel J. J.; Escudero-Adán, Eduardo C.; Benet-Buchholz, Jordi; den Boer, Duncan; Speller, Sylvia; Kleij, Arjan W.; De Feyter, Steven |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2010 |
| Journal volume | 46 |
| Journal issue | 15 |
| Pages of publication | 2548 - 2550 |
| a | 8.261 ± 0.008 Å |
| b | 12.037 ± 0.012 Å |
| c | 23.26 ± 0.02 Å |
| α | 86.698 ± 0.019° |
| β | 82.33 ± 0.02° |
| γ | 88.33 ± 0.02° |
| Cell volume | 2288 ± 4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1535 |
| Residual factor for significantly intense reflections | 0.0814 |
| Weighted residual factors for significantly intense reflections | 0.1933 |
| Weighted residual factors for all reflections included in the refinement | 0.2337 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.95 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7105389 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210463 (current) | 2018-09-05 | cif/7/ Updating bibliography in entries 7105389, 7112779. Marking entry 7112779 as a duplicate of entry 7105389. |
7112779.cif |
| 180241 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/27. |
7112779.cif |
| 112086 | 2014-04-29 | cif/ Adding structures of 7112779 via cif-deposit CGI script. |
7112779.cif |
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Users of the data should acknowledge the original authors of the
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