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Information card for entry 7206114
Preview
| Coordinates | 7206114.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | (Imidazole)cis-dioxo(N-3-methoxysalicylidene-2-amino -3- hydroxypyridine)molybdenum(VI) acetonitrile solvate |
|---|---|
| Chemical name | (Imidazole)cis-dioxo(N-3-methoxysalicylidene-2-amino -3-hydroxypyridine)molybdenum(VI) acetonitrile solvate |
| Formula | C18 H17 Mo N5 O5 |
| Calculated formula | C18 H17 Mo N5 O5 |
| SMILES | [Mo]12(=O)(=O)(Oc3c(nccc3)[N]2=Cc2c(O1)c(OC)ccc2)[n]1c[nH]cc1.N#CC |
| 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 | 7.5668 ± 0.0003 Å |
| b | 19.3973 ± 0.0007 Å |
| c | 14.5305 ± 0.0006 Å |
| α | 90° |
| β | 116.626 ± 0.003° |
| γ | 90° |
| Cell volume | 1906.55 ± 0.14 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 | 0.072 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.0552 |
| Weighted residual factors for all reflections included in the refinement | 0.0615 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| 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. |
7206114.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. |
7206114.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206114.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206114.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. |
7206114.cif |
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