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Information card for entry 7215548
Preview
| Coordinates | 7215548.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H33 Cu N3 O5 |
|---|---|
| Calculated formula | C26 H33 Cu N3 O5 |
| SMILES | [Cu]123([N](=Cc4c(c(OCC)ccc4)O2)[C@@H]2CCCC[C@H]2[N]1=Cc1c(c(OCC)ccc1)O3)[OH2].N#CC |
| Title of publication | Hierarchical multicomponent assembly utilizing sequential metal‒ligand and hydrogen-bonding interactions |
| Authors of publication | Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia |
| Journal of publication | CrystEngComm |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 4 |
| Pages of publication | 657 - 662 |
| a | 5.5583 ± 0.0002 Å |
| b | 20.5367 ± 0.0006 Å |
| c | 10.824 ± 0.0003 Å |
| α | 90° |
| β | 103.482 ± 0.001° |
| γ | 90° |
| Cell volume | 1201.5 ± 0.07 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0328 |
| Residual factor for significantly intense reflections | 0.0227 |
| Weighted residual factors for all reflections | 0.0273 |
| Weighted residual factors for significantly intense reflections | 0.024 |
| Weighted residual factors for all reflections included in the refinement | 0.024 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7200544 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218489 (current) | 2019-09-18 | cif/7/21/55/ Marked entries 7215547-7215549 as duplicate of entries 7200543-7200545. |
7215548.cif |
| 218488 | 2019-09-18 | cif/7/21/55/ Updated bibliographic information in entries 7215547-7215549. |
7215548.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7215548.cif |
| 112518 | 2014-05-02 | cif/ Adding structures of 7215547, 7215548, 7215549 via cif-deposit CGI script. |
7215548.cif |
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Users of the data should acknowledge the original authors of the
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