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Information card for entry 7206110
Preview
| Coordinates | 7206110.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | (Methanol)cis-dioxo(N-3-methoxysalicylidene-2-amino-3 - hydroxypyridine)molybdenum(VI) |
|---|---|
| Chemical name | (Methanol)cis-dioxo(N-3-methoxysalicylidene-2-amino-3 -hydroxypyridine)molybdenum(VI) |
| Formula | C14 H14 Mo N2 O6 |
| Calculated formula | C14 H14 Mo N2 O6 |
| SMILES | [Mo]12(=O)(=O)(Oc3c(nccc3)[N]2=Cc2c(O1)c(OC)ccc2)[OH]C |
| Title of publication | Mechanosensitive metal–ligand bonds in the design of new coordination compounds |
| Authors of publication | Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 13 |
| Pages of publication | 4314 |
| a | 8.189 ± 0.0007 Å |
| b | 10.9898 ± 0.0009 Å |
| c | 17.93 ± 0.002 Å |
| α | 90° |
| β | 105.346 ± 0.009° |
| γ | 90° |
| Cell volume | 1556.1 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0357 |
| Residual factor for significantly intense reflections | 0.024 |
| Weighted residual factors for significantly intense reflections | 0.0593 |
| Weighted residual factors for all reflections included in the refinement | 0.0616 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.923 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7206110.cif |
| 180392 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/61. |
7206110.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206110.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206110.cif |
| 23522 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206110, 7206111, 7206112, 7206113, 7206114, 7206115, 7206116, 7206117 via cif-deposit CGI script. |
7206110.cif |
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Users of the data should acknowledge the original authors of the
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