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Information card for entry 4070718
Preview
| Coordinates | 4070718.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H36 B Cl3 F4 N2 Pd Ru |
|---|---|
| Calculated formula | C23 H36 B Cl3 F4 N2 Pd Ru |
| SMILES | [Pd]12(Cl)[N](C[c]34[cH]5[Ru]6789%10%11%123([c]24[c]8([cH]7[cH]56)C[N]1(C)C)[c]1([c]%12([c]%11([c]%10([c]91C)C)C)C)C)(C)C.[B](F)(F)(F)[F-].ClCCl |
| Title of publication | η6-Coordination of a Ruthenium(II) Organometallic Fragment to the Arene Ring of N,C,N-Pincer Metal Complexes |
| Authors of publication | Bonnet, Sylvestre; Lutz, Martin; Spek, Anthony L.; Koten, Gerard van; Klein Gebbink, Robertus J. M. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 2 |
| Pages of publication | 159 |
| a | 9.77336 ± 0.00019 Å |
| b | 19.3029 ± 0.0005 Å |
| c | 14.73985 ± 0.00019 Å |
| α | 90° |
| β | 91.055 ± 0.001° |
| γ | 90° |
| Cell volume | 2780.26 ± 0.1 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 | 0.019 |
| Residual factor for significantly intense reflections | 0.0166 |
| Weighted residual factors for significantly intense reflections | 0.038 |
| Weighted residual factors for all reflections included in the refinement | 0.0391 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178596 (current) | 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 4/07/07. |
4070718.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070718.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070718.cif |
| 42657 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070717, 4070718 via cif-deposit CGI script. |
4070718.cif |
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Users of the data should acknowledge the original authors of the
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