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Information card for entry 4337424
Preview
| Coordinates | 4337424.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 11-(4-Dimethylaminophenyl)dipyrido[3,2-a:2',3'-c]phenazine |
|---|---|
| Formula | C27 H20 Cl3 N5 |
| Calculated formula | C27 H20 Cl3 N5 |
| SMILES | ClC(Cl)Cl.n1c2c3cccnc3c3ncccc3c2nc2ccc(c3ccc(N(C)C)cc3)cc12 |
| Title of publication | Intraligand charge-transfer excited States in re(i) complexes with donor-substituted dipyridophenazine ligands. |
| Authors of publication | Larsen, Christopher B.; van der Salm, Holly; Clark, Charlotte A.; Elliott, Anastasia B. S.; Fraser, Michael G.; Horvath, Raphael; Lucas, Nigel T.; Sun, Xue-Zhong; George, Michael W.; Gordon, Keith C. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 3 |
| Pages of publication | 1339 - 1354 |
| a | 6.892 ± 0.001 Å |
| b | 10.453 ± 0.002 Å |
| c | 16.852 ± 0.002 Å |
| α | 89.638 ± 0.007° |
| β | 85.067 ± 0.006° |
| γ | 73.619 ± 0.006° |
| Cell volume | 1160.3 ± 0.3 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 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 | 0.0955 |
| Residual factor for significantly intense reflections | 0.0614 |
| Weighted residual factors for significantly intense reflections | 0.1296 |
| Weighted residual factors for all reflections included in the refinement | 0.1484 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| 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. |
4337424.cif |
| 179477 | 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 4/33/74. |
4337424.cif |
| 106360 | 2014-03-15 | cif/ Adding structures of 4337423, 4337424 via cif-deposit CGI script. |
4337424.cif |
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Users of the data should acknowledge the original authors of the
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