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Information card for entry 7052187
Preview
| Coordinates | 7052187.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Bis(morpholine-N-yl-N`- (diisopropoxyphosphinyl)thiocarboxamide-O,S)palladium(ii) |
|---|---|
| Chemical name | Bis[morpholine-N-yl-N`- (diisopropoxyphosphinyl)thiocarboxamide-O,S]palladium(II) |
| Formula | C22 H44 N4 O8 P2 Pd S2 |
| Calculated formula | C22 H44 N4 O8 P2 Pd S2 |
| SMILES | [Pd]12(SC(=NP(=[O]1)(OC(C)C)OC(C)C)N1CCOCC1)SC(=NP(=[O]2)(OC(C)C)OC(C)C)N1CCOCC1 |
| Title of publication | The influence of the intramolecular hydrogen bond on the 1,3-N,S- and 1,5-O,S-coordination of N-phosphoryl-N′-(R)-thioureas with Ni(ii) and Pd(ii) |
| Authors of publication | Sokolov, Felix D.; Baranov, Sergey V.; Safin, Damir A.; Hahn, F. Ekkehardt; Kubiak, Maria; Pape, Tania; Babashkina, Maria G.; Zabirov, Nail G.; Galezowska, Joanna; Kozlowski, Henryk; Cherkasov, Rafael A. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2007 |
| Journal volume | 31 |
| Journal issue | 9 |
| Pages of publication | 1661 |
| a | 18.747 ± 0.004 Å |
| b | 17.566 ± 0.004 Å |
| c | 19.95 ± 0.004 Å |
| α | 90° |
| β | 100.046 ± 0.005° |
| γ | 90° |
| Cell volume | 6469 ± 2 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0959 |
| Residual factor for significantly intense reflections | 0.0555 |
| Weighted residual factors for significantly intense reflections | 0.0892 |
| Weighted residual factors for all reflections included in the refinement | 0.1 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180075 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/21. |
7052187.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052187.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052187.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7052187.cif |
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