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Information card for entry 4341847
Preview
| Coordinates | 4341847.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C56 H50 B2 F8 N2 O2 P4 Pt |
|---|---|
| Calculated formula | C56 H50 B2 F8 N2 O2 P4 Pt |
| SMILES | [B](F)(F)(F)[F-].c1ccc([P]2(c3ccccc3)[Pt]3([P](C2=C2NCCO2)(c2ccccc2)c2ccccc2)[P](C(=C2NCCO2)[P]3(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[B](F)(F)(F)[F-] |
| Title of publication | Synthesis, Structure, and Optical Properties of Pt(II) and Pd(II) Complexes with Oxazolyl- and Pyridyl-Functionalized DPPM-Type Ligands: A Combined Experimental and Theoretical Study. |
| Authors of publication | Zhang, Shuanming; Pattacini, Roberto; Braunstein, Pierre; De Cola, Luisa; Plummer, Edward; Mauro, Matteo; Gourlaouen, Christophe; Daniel, Chantal |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Pages of publication | 141124111704004 |
| a | 9.3583 ± 0.0003 Å |
| b | 22.5243 ± 0.0008 Å |
| c | 12.3493 ± 0.0002 Å |
| α | 90° |
| β | 91.462 ± 0.002° |
| γ | 90° |
| Cell volume | 2602.25 ± 0.13 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0609 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0818 |
| Weighted residual factors for all reflections included in the refinement | 0.0918 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.962 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4341847.cif |
| 179521 | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/18. |
4341847.cif |
| 128249 | 2014-12-06 | cif/ Adding structures of 4341847, 4341848, 4341849 via cif-deposit CGI script. |
4341847.cif |
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