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Information card for entry 7206115
Preview
| Coordinates | 7206115.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | (Imidazole)cis-dioxo(N-3-methoxysalicylidene -2-amino-3- hydroxypyridine)molybdenum(VI) |
|---|---|
| Chemical name | (Imidazole)cis-dioxo(N-3-methoxysalicylidene -2-amino-3-hydroxypyridine)molybdenum(VI) |
| Formula | C16 H14 Mo N4 O5 |
| Calculated formula | C16 H14 Mo N4 O5 |
| SMILES | c1ccc(OC)c2O[Mo]3(Oc4c([N]3=Cc12)nccc4)([n]1c[nH]cc1)(=O)=O |
| 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 | 7.4565 ± 0.0004 Å |
| b | 17.8707 ± 0.0014 Å |
| c | 12.2079 ± 0.0009 Å |
| α | 90° |
| β | 93.021 ± 0.006° |
| γ | 90° |
| Cell volume | 1624.5 ± 0.2 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 | 0.0338 |
| Residual factor for significantly intense reflections | 0.0241 |
| Weighted residual factors for significantly intense reflections | 0.0605 |
| Weighted residual factors for all reflections included in the refinement | 0.0625 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| 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. |
7206115.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7206115.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206115.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206115.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. |
7206115.cif |
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