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Information card for entry 7206116
Preview
| Coordinates | 7206116.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | (4,4'-bipyridine)bis(cis-dioxo(N-3-methoxysalicylidene -2- amino-3-hydroxypyridine))dimolybdenum(VI) |
|---|---|
| Chemical name | (4,4'-bipyridine)bis(cis-dioxo(N-3-methoxysalicylidene -2-amino-3-hydroxypyridine))dimolybdenum(VI) |
| Formula | C36 H28 Mo2 N6 O10 |
| Calculated formula | C36 H28 Mo2 N6 O10 |
| SMILES | c1ccc(OC)c2c1C=[N]1[Mo](Oc3c1nccc3)([n]1ccc(c3cc[n]([Mo]45(Oc6c(OC)cccc6C=[N]5c5c(O4)cccn5)(=O)=O)cc3)cc1)(=O)(O2)=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 | 11.7871 ± 0.0006 Å |
| b | 12.8269 ± 0.0007 Å |
| c | 13.8071 ± 0.0006 Å |
| α | 108.49 ± 0.005° |
| β | 94.104 ± 0.004° |
| γ | 113.811 ± 0.005° |
| Cell volume | 1762.67 ± 0.19 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.0719 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.0983 |
| Weighted residual factors for all reflections included in the refinement | 0.1045 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.94 |
| 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. |
7206116.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. |
7206116.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206116.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206116.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. |
7206116.cif |
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Users of the data should acknowledge the original authors of the
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