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Information card for entry 1508066
Preview
| Coordinates | 1508066.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C119.36 H115.1 B3 Cu3 F11.9 N20 O16 |
|---|---|
| Calculated formula | C119.36 H115.1 B3 Cu3 F11.9 N20 O16 |
| SMILES | [Cu]123[n]4c5c([N]1=Cc1ccc6ccc7c([n]([Cu]89%10)c(cc7)C=[N]7[Cu]%11([n]%12c(C(=O)Nc%13ccccc%13)cc(OCC(C)C)c%13c%12c7ccc%13)[N](c7c%12[n]%11c(C(=O)Nc%11ccccc%11)cc(OCC(C)C)c%12ccc7)=Cc7[n]8c8c%11[n]9c(ccc%11ccc8cc7)C=[N]2c2c7[n]3c(C(=O)Nc3ccccc3)cc(OCC(C)C)c7ccc2)c6[n]1%10)cccc5c(OCC(C)C)cc4C(=O)Nc1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O=CN(C)C.N(C=O)(C)C.[B](F)(F)(F)[F-].CN(C=O)C.CN(C=O)C.O.O.O |
| Title of publication | Cascading transformations within a dynamic self-assembled system. |
| Authors of publication | Campbell, Victoria E.; de Hatten, Xavier; Delsuc, Nicolas; Kauffmann, Brice; Huc, Ivan; Nitschke, Jonathan R. |
| Journal of publication | Nature chemistry |
| Year of publication | 2010 |
| Journal volume | 2 |
| Journal issue | 8 |
| Pages of publication | 684 - 687 |
| a | 16.844 ± 0.001 Å |
| b | 17.393 ± 0.001 Å |
| c | 20.257 ± 0.001 Å |
| α | 84.064 ± 0.004° |
| β | 82.693 ± 0.004° |
| γ | 87.212 ± 0.004° |
| Cell volume | 5851.1 ± 0.6 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.3109 |
| Residual factor for significantly intense reflections | 0.1437 |
| Weighted residual factors for significantly intense reflections | 0.334 |
| Weighted residual factors for all reflections included in the refinement | 0.4307 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1508066.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1508066.cif |
| 62612 | 2012-07-09 | cif/ Adding structures of 1508066 via cif-deposit CGI script. |
1508066.cif |
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Users of the data should acknowledge the original authors of the
structural data.