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Information card for entry 1516983
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| Coordinates | 1516983.cif |
|---|
| Formula | C17 H22 Mo N2 O3 S3 |
|---|---|
| Calculated formula | C17 H22 Mo N2 O3 S3 |
| SMILES | [Mo]12([S]3CC[N]1(CCSCCSCC3)Cc1[n]2cccc1)(C#[O])(C#[O])C#[O] |
| Title of publication | Synthesis and characterization of tricarbonyl-molybdenum complexes bearing monoaza-trithia-macrocyclic ligands |
| Authors of publication | Takahiko Ogawa; Koji Koike; Jun Matsumoto; Yuji Kajita; Hideki Masuda |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2013 |
| Journal volume | 401 |
| Pages of publication | 101 - 106 |
| a | 19.1121 ± 0.0008 Å |
| b | 8.2591 ± 0.0003 Å |
| c | 12.8459 ± 0.0005 Å |
| α | 90° |
| β | 104.63 ± 0.003° |
| γ | 90° |
| Cell volume | 1961.96 ± 0.14 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0212 |
| Weighted residual factors for all reflections included in the refinement | 0.0551 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1516983.cif |
| 119851 | 2014-07-09 | cif/ Adding structures of 1516983 via cif-deposit CGI script. |
1516983.cif |
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Users of the data should acknowledge the original authors of the
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