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Information card for entry 7013227
Preview
| Coordinates | 7013227.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | dppcbO4 |
|---|---|
| Formula | C59 H52 O4 P4 |
| Calculated formula | C59 H52 O4 P4 |
| SMILES | P(=O)(C1C(P(=O)(c2ccccc2)c2ccccc2)C(P(=O)(c2ccccc2)c2ccccc2)C1P(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)C |
| Title of publication | Regioselective versus complete chalcogen transfer reactions of the bis(bidentate) phosphine cis,trans,cis-1,2,3,4-tetrakis(diphenylphosphino)cyclobutane: full characterization of new, hemilabile ligands and their complexes with palladium(II) and platinum(II) |
| Authors of publication | Thomas Stampfl; Rene Gutmann; Georg Czermak; Christoph Langes; Alexander Dumfort; Holger Kopacka; Karl-Hans Ongania; Peter Brüggeller |
| Journal of publication | Dalton Trans. |
| Year of publication | 2003 |
| Journal issue | 17 |
| Pages of publication | 3425 - 3435 |
| a | 31.5748 ± 0.0003 Å |
| b | 13.0352 ± 0.0001 Å |
| c | 24.7531 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10188 ± 0.18 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0534 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.0999 |
| Weighted residual factors for all reflections included in the refinement | 0.1162 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7013227.cif |
| 213973 | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7013227.cif |
| 179836 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/32. |
7013227.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7013227.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7013227.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7013227.cif |
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