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Information card for entry 4067498
Preview
| Coordinates | 4067498.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H50 B Cl F4 P2 Pd Ru |
|---|---|
| Calculated formula | C30 H50 B Cl F4 P2 Pd Ru |
| SMILES | [Pd]12(Cl)[P](C[c]34[cH]5[Ru]6789%10%11%123([c]24[c]8([cH]7[cH]56)C[P]1(C(C)C)C(C)C)[c]1([c]%12([c]%11([c]%10([c]91C)C)C)C)C)(C(C)C)C(C)C.[B](F)(F)(F)[F-] |
| Title of publication | Bimetallic η6,η1SCS- and PCP-Pincer Ruthenium Palladium Complexes: Synthesis, Structure, and Catalytic Activity |
| Authors of publication | Bonnet, Sylvestre; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 5 |
| Pages of publication | 1157 |
| a | 11.8179 ± 0.0001 Å |
| b | 20.819 ± 0.0002 Å |
| c | 15.8033 ± 0.0001 Å |
| α | 90° |
| β | 117.69 ± 0.0005° |
| γ | 90° |
| Cell volume | 3442.9 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0364 |
| Residual factor for significantly intense reflections | 0.0277 |
| Weighted residual factors for significantly intense reflections | 0.0669 |
| Weighted residual factors for all reflections included in the refinement | 0.0724 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178565 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/74. |
4067498.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067498.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067498.cif |
| 34214 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067495, 4067496, 4067497, 4067498 via cif-deposit CGI script. |
4067498.cif |
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