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Information card for entry 7024401
Preview
| Coordinates | 7024401.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H33 N P2 Se |
|---|---|
| Calculated formula | C34 H33 N P2 Se |
| SMILES | C(P(c1ccccc1)(c1ccccc1)=[Se])P(c1ccccc1)(c1ccccc1)=Nc1c(cc(cc1C)C)C |
| Title of publication | Access to the first (iminophosphoranyl)(selenophosphoranyl)methane ligands Ph2P(=Se)CH2P(=NR)Ph2: coordination of their methanide and methandiide anions to ruthenium. |
| Authors of publication | Cadierno, Victorio; Díez, Josefina; García-Alvarez, Joaquín; Gimeno, José |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 3 |
| Pages of publication | 941 - 956 |
| a | 15.9884 ± 0.0004 Å |
| b | 15.1347 ± 0.0008 Å |
| c | 24.347 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5891.5 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1037 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.1196 |
| Weighted residual factors for all reflections included in the refinement | 0.1687 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.802 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7024401.cif |
| 179949 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/44. |
7024401.cif |
| 92472 | 2014-01-12 | cif/ Adding structures of 7024401, 7024402, 7024403, 7024404, 7024405 via cif-deposit CGI script. |
7024401.cif |
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Users of the data should acknowledge the original authors of the
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