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Information card for entry 7215549
Preview
| Coordinates | 7215549.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H30 Cu N2 O5 |
|---|---|
| Calculated formula | C24 H30 Cu N2 O5 |
| SMILES | [Cu]123[N](=Cc4c(c(ccc4)OCC)O2)[C@@H]2CCCC[C@H]2[N]1=Cc1cccc(c1O3)OCC.O |
| 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 | 8.8855 ± 0.0004 Å |
| b | 10.8153 ± 0.0004 Å |
| c | 13.0636 ± 0.0005 Å |
| α | 97.313 ± 0.002° |
| β | 109.121 ± 0.002° |
| γ | 107.198 ± 0.002° |
| Cell volume | 1097.61 ± 0.08 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0652 |
| Residual factor for significantly intense reflections | 0.0311 |
| Weighted residual factors for all reflections | 0.0561 |
| Weighted residual factors for significantly intense reflections | 0.0317 |
| Weighted residual factors for all reflections included in the refinement | 0.0317 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0829 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7200545 |
| 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. |
7215549.cif |
| 218488 | 2019-09-18 | cif/7/21/55/ Updated bibliographic information in entries 7215547-7215549. |
7215549.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. |
7215549.cif |
| 112518 | 2014-05-02 | cif/ Adding structures of 7215547, 7215548, 7215549 via cif-deposit CGI script. |
7215549.cif |
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Users of the data should acknowledge the original authors of the
structural data.