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Information card for entry 7220913
Preview
| Coordinates | 7220913.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3 |
|---|---|
| Formula | C28 H20 Co N6 |
| Calculated formula | C28 H20 Co N6 |
| Title of publication | Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands |
| Authors of publication | Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 30 |
| Pages of publication | 5717 |
| a | 8.9584 ± 0.0002 Å |
| b | 14.6692 ± 0.0004 Å |
| c | 19.0677 ± 0.0005 Å |
| α | 90° |
| β | 117.742 ± 0.002° |
| γ | 90° |
| Cell volume | 2217.71 ± 0.11 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0737 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.0935 |
| Weighted residual factors for all reflections included in the refinement | 0.1028 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7220913.cif |
| 153094 | 2015-08-08 | cif/ Updating files of 7220910, 7220911, 7220912, 7220913, 7220914, 7220915 Original log message: Adding full bibliography for 7220910--7220915.cif. |
7220913.cif |
| 139791 | 2015-06-30 | cif/ Adding structures of 7220910, 7220911, 7220912, 7220913, 7220914, 7220915 via cif-deposit CGI script. |
7220913.cif |
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Users of the data should acknowledge the original authors of the
structural data.