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Information card for entry 7006206
Preview
| Coordinates | 7006206.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C50 H40 N8 P2 Pt |
|---|---|
| Calculated formula | C50 H40 N8 P2 Pt |
| SMILES | c1(c2ccccc2)nn(nn1)[Pt]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)n1nc(c2ccccc2)nn1 |
| Title of publication | Microwave synthesis of mono- and bis-tetrazolato complexes via 1,3-dipolar cycloaddition of organonitriles with platinum(ii)-bound azides |
| Authors of publication | Mukhopadhyay, Suman; Lasri, Jamal; Januário Charmier, M. Adília; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2007 |
| Journal issue | 45 |
| Pages of publication | 5297 |
| a | 8.4538 ± 0.0001 Å |
| b | 11.6212 ± 0.0002 Å |
| c | 11.9546 ± 0.0002 Å |
| α | 69.514 ± 0.001° |
| β | 81.674 ± 0.001° |
| γ | 83.334 ± 0.001° |
| Cell volume | 1085.87 ± 0.03 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0429 |
| Residual factor for significantly intense reflections | 0.0224 |
| Weighted residual factors for significantly intense reflections | 0.0476 |
| Weighted residual factors for all reflections included in the refinement | 0.0512 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7006206.cif |
| 179766 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/62. |
7006206.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006206.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006206.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7006206.cif |
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