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Information card for entry 7215863
Preview
| Coordinates | 7215863.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H30 N6 O4 Zn |
|---|---|
| Calculated formula | C36 H30 N6 O4 Zn |
| SMILES | [Zn]12(OC(=O)C)(OC(=O)C)[n]3ccccc3c3[n]1c(cc(c3)c1ccc(cc1)CN(c1ncccc1)c1ncccc1)c1[n]2cccc1 |
| Title of publication | Cobalt(ii), iron(ii), zinc(ii) and palladium(ii) complexes of di-topic 4′-{4-[bis(2-pyridyl)aminomethyl]phenyl}-2,2′:6′,2′′-terpyridine. Synthetic and X-ray structural studies |
| Authors of publication | Bray, David J.; Clegg, Jack. K.; Jolliffe, Katrina A.; Lindoy, Leonard F. |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 28 |
| Pages of publication | 6476 |
| a | 13.7825 ± 0.0009 Å |
| b | 14.8655 ± 0.001 Å |
| c | 18.2258 ± 0.0011 Å |
| α | 70.21 ± 0.002° |
| β | 79.959 ± 0.003° |
| γ | 64.388 ± 0.003° |
| Cell volume | 3166.7 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0725 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.1052 |
| Weighted residual factors for all reflections included in the refinement | 0.1179 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7215863.cif |
| 192777 | 2017-03-02 | cod/ Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the 'cod-tools' repository (rev. 5000). The correction was mainly focused on removing misspelt versions of the '_symmetry_Int_Tables' and '_space_group_IT_number' data items. |
7215863.cif |
| 180489 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/58. |
7215863.cif |
| 119430 | 2014-07-07 | cif/ Updating files of 7215861, 7215862, 7215863, 7215864, 7215865 Original log message: Adding full bibliography for 7215861--7215865.cif. |
7215863.cif |
| 113347 | 2014-05-11 | cif/ Adding structures of 7215861, 7215862, 7215863, 7215864, 7215865 via cif-deposit CGI script. |
7215863.cif |
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Users of the data should acknowledge the original authors of the
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