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Information card for entry 4339537
Preview
| Coordinates | 4339537.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H26 N8 W |
|---|---|
| Calculated formula | C34 H26 N8 W |
| SMILES | [W]1234([n]5c(N=[N]4c4c(N2c2ccccc2)cccc4)cccc5)N(c2c([N]3=Nc3[n]1cccc3)cccc2)c1ccccc1 |
| Title of publication | Singlet diradical complexes of chromium, molybdenum, and tungsten with azo anion radical ligands from M(CO)6 precursors. |
| Authors of publication | Sanyal, Anasuya; Chatterjee, Sudipta; Castiñeiras, Alfonso; Sarkar, Biprajit; Singh, Priti; Fiedler, Jan; Zális, Stanislav; Kaim, Wolfgang; Goswami, Sreebrata |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 21 |
| Pages of publication | 8584 - 8593 |
| a | 10.4134 ± 0.0014 Å |
| b | 17.031 ± 0.002 Å |
| c | 16.337 ± 0.002 Å |
| α | 90.058 ± 0.002° |
| β | 104.629 ± 0.002° |
| γ | 89.99 ± 0.002° |
| Cell volume | 2803.4 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0306 |
| Residual factor for significantly intense reflections | 0.0258 |
| Weighted residual factors for significantly intense reflections | 0.0675 |
| Weighted residual factors for all reflections included in the refinement | 0.0697 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4339537.cif |
| 179498 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/95. |
4339537.cif |
| 117370 | 2014-06-14 | cif/ Adding structures of 4339537 via cif-deposit CGI script. |
4339537.cif |
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Users of the data should acknowledge the original authors of the
structural data.