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Information card for entry 7215484
Preview
| Coordinates | 7215484.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H36 Mo2 N16 |
|---|---|
| Calculated formula | C44 H36 Mo2 N16 |
| SMILES | c1(ccncc1)[N]1=CN(c2ccncc2)[Mo]234[Mo]1(N(c1ccncc1)C=[N]2c1ccncc1)(N(C=[N]3c1ccncc1)c1ccncc1)N(C=[N]4c1ccncc1)c1ccncc1 |
| Title of publication | Stepwise formation of heteronuclear coordination networks based on quadruple-bonded dimolybdenum units containing formamidinate ligands |
| Authors of publication | Hsu, Wayne; Li, Yu-Sian; He, Hsiu-Yi; Chen, Kuan-Ting; Wu, Hong-Sheng; Proserpio, Davide M.; Chen, Jhy-Der; Wang, Ju-Chun |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 32 |
| Pages of publication | 7385 |
| a | 17.9447 ± 0.0004 Å |
| b | 19.1082 ± 0.0004 Å |
| c | 11.5533 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3961.52 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.0525 |
| Residual factor for significantly intense reflections | 0.0289 |
| Weighted residual factors for significantly intense reflections | 0.0591 |
| Weighted residual factors for all reflections included in the refinement | 0.0673 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7215484.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7215484.cif |
| 121628 | 2014-08-08 | cif/ Updating files of 7215484, 7215485, 7215486, 7215487 Original log message: Adding full bibliography for 7215484--7215487.cif. |
7215484.cif |
| 112296 | 2014-04-30 | cif/ Adding structures of 7215484, 7215485, 7215486, 7215487 via cif-deposit CGI script. |
7215484.cif |
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