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Information card for entry 4341641
Preview
| Coordinates | 4341641.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H14 Co N4 O8 |
|---|---|
| Calculated formula | C10 H14 Co N4 O8 |
| SMILES | [Co]12([n]3cnccc3C(=O)O1)([n]1cnccc1C(=O)O2)([OH2])[OH2].O.O |
| Title of publication | Functionalization of krebs-type polyoxometalates with n,o-chelating ligands: a systematic study. |
| Authors of publication | Artetxe, Beñat; Reinoso, Santiago; San Felices, Leire; Vitoria, Pablo; Pache, Aroa; Martín-Caballero, Jagoba; Gutiérrez-Zorrilla, Juan M |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 1 |
| Pages of publication | 241 - 252 |
| a | 5.5524 ± 0.0005 Å |
| b | 7.1608 ± 0.0008 Å |
| c | 9.4616 ± 0.0009 Å |
| α | 81.68 ± 0.009° |
| β | 88.202 ± 0.008° |
| γ | 70.571 ± 0.009° |
| Cell volume | 350.98 ± 0.06 Å3 |
| Cell temperature | 99.99 ± 0.1 K |
| Ambient diffraction temperature | 99.99 ± 0.1 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 | 0.0375 |
| Residual factor for significantly intense reflections | 0.0324 |
| Weighted residual factors for all reflections included in the refinement | 0.0681 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4341641.cif |
| 179519 | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/16. |
4341641.cif |
| 130575 | 2015-02-04 | cif/ Updating files of 4341628, 4341629, 4341630, 4341631, 4341632, 4341633, 4341634, 4341635, 4341636, 4341637, 4341638, 4341639, 4341640, 4341641 Original log message: Adding full bibliography for 4341628--4341641.cif. |
4341641.cif |
| 127383 | 2014-11-16 | cif/ Adding structures of 4341628, 4341629, 4341630, 4341631, 4341632, 4341633, 4341634, 4341635, 4341636, 4341637, 4341638, 4341639, 4341640, 4341641 via cif-deposit CGI script. |
4341641.cif |
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Users of the data should acknowledge the original authors of the
structural data.