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Information card for entry 7108828
Preview
| Coordinates | 7108828.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H70 B Cu F4 N2 O7 P2 |
|---|---|
| Calculated formula | C66 H70 B Cu F4 N2 O7 P2 |
| SMILES | c12ccc3ccc4ccc(CCCOCCOCCOCCCCOCCOCCOCCC1)[n]1c4c3[n]2[Cu]21[P](c1ccccc1)(c1ccccc1)c1ccccc1Oc1ccccc1[P]2(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-] |
| Title of publication | Dynamic topomerization of Cu(I)=complexed pseudorotaxanes |
| Authors of publication | Meera Mohankumar; Michel Holler; Michel Schmitt; Jean-Pierre Sauvage; Jean-Francois Nierengarten |
| Journal of publication | Chem.Commun. |
| Year of publication | 2012 |
| Journal volume | 49 |
| Pages of publication | 1261 |
| a | 13.638 ± 0.0005 Å |
| b | 14.9398 ± 0.0005 Å |
| c | 15.6669 ± 0.0006 Å |
| α | 78.733 ± 0.001° |
| β | 72.898 ± 0.001° |
| γ | 83.964 ± 0.001° |
| Cell volume | 2988.29 ± 0.19 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1788 |
| Residual factor for significantly intense reflections | 0.125 |
| Weighted residual factors for significantly intense reflections | 0.353 |
| Weighted residual factors for all reflections included in the refinement | 0.4038 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.484 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180192 (current) | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/88. |
7108828.cif |
| 106664 | 2014-03-15 | cif/ (saulius@koala.ibt.lt) Adding DOIs to the rest of the Chem. Comm. files. Some of these files have author names differing from PubMed in diacritics (either diacritics are omitted or we have encoding problems); or they have a year difference of 1. However, since first pages always match and author names are variants of each other, I assume that DOIs are assigned correctly. |
7108828.cif |
| 72557 | 2013-01-22 | cif/ Adding structures of 7108828, 7108829 via cif-deposit CGI script. |
7108828.cif |
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