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Information card for entry 4070490
Preview
| Coordinates | 4070490.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C46 H86 Au2 B2 F8 N2 P4 |
|---|---|
| Calculated formula | C46 H86 Au2 B2 F8 N2 P4 |
| SMILES | [B](F)(F)(F)[F-].c12cccc(n2)C[P]([Au][P](Cc2cccc(n2)C[P]([Au][P](C1)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C.[B](F)(F)(F)[F-] |
| Title of publication | A Cationic AgI(PNPtBu) Species Acting as PNP Transfer Agent: Facile Synthesis of Pd(PNPtBu)(alkyl) Complexes and Their Reactivity Compared to PCPtBuAnalogues |
| Authors of publication | van der Vlugt, Jarl Ivar; Siegler, Maxime A.; Janssen, Michèle; Vogt, Dieter; Spek, Anthony L. |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 24 |
| Pages of publication | 7025 |
| a | 13.723 ± 0.0004 Å |
| b | 14.4624 ± 0.0006 Å |
| c | 14.673 ± 0.0004 Å |
| α | 90° |
| β | 112.254 ± 0.002° |
| γ | 90° |
| Cell volume | 2695.2 ± 0.16 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0334 |
| Residual factor for significantly intense reflections | 0.021 |
| Weighted residual factors for significantly intense reflections | 0.0373 |
| Weighted residual factors for all reflections included in the refinement | 0.0402 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4070490.cif |
| 178593 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/04. |
4070490.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4070490.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070490.cif |
| 40738 | 2012-03-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4070489, 4070490, 4070491, 4070492, 4070493 via cif-deposit CGI script. |
4070490.cif |
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Users of the data should acknowledge the original authors of the
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