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Information card for entry 1508067
Preview
| Coordinates | 1508067.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C109 H87.66666 B2 Cl1.33333 Cu F8.49333 N16 O17.33333 Zn2 |
|---|---|
| Calculated formula | C109 H87.6667 B2 Cl1.33333 Cu F8.49333 N16 O17.3333 Zn2 |
| SMILES | [Zn]123[N](=Cc4[n]([Cu]567)c8c(cc4)ccc4ccc([n]6c48)C=[N]4[Zn]6([n]8c9c(c(OCC(C)C)cc8C(=O)Nc8ccccc8)cccc9[N]6=Cc6[n]5c5c(cc6)ccc6ccc([n]7c56)C=[N]1c1c5[n]2c(cc(OCC(C)C)c5ccc1)C(=O)Nc1ccccc1)[n]1c2c4cccc2c(cc1C(=O)Nc1ccccc1)OCC(C)C)c1cccc2c(cc([n]3c12)C(=O)Nc1ccccc1)OCC(C)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].ClCCl.O.O.O.O.O.O.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 | 23.958 Å |
| b | 26.469 Å |
| c | 51.79 Å |
| α | 90° |
| β | 94.12° |
| γ | 90° |
| Cell volume | 32757.5 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.2843 |
| Residual factor for significantly intense reflections | 0.1887 |
| Weighted residual factors for significantly intense reflections | 0.4652 |
| Weighted residual factors for all reflections included in the refinement | 0.5323 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.901 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1508067.cif |
| 137402 | 2015-05-27 | cif/1 Fixing Z values and formulae |
1508067.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1508067.cif |
| 62613 | 2012-07-09 | cif/ Adding structures of 1508067 via cif-deposit CGI script. |
1508067.cif |
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Users of the data should acknowledge the original authors of the
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