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Information card for entry 7020815
Preview
| Coordinates | 7020815.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H40 Cl2 P4 Ru |
|---|---|
| Calculated formula | C50 H40 Cl2 P4 Ru |
| SMILES | c12c(c3c([P]41C[P]([Ru]14(Cl)([P]4(c5c(c6c4cccc6)cccc5)C[P]1(c1ccccc1)c1ccccc1)Cl)(c1ccccc1)c1ccccc1)cccc3)cccc2 |
| Title of publication | Novel phospholyl(diphenylphosphino)methane-ruthenium complexes: unexpected non-assisted cis to trans isomerization of [RuCl2(κ(2)-P-P')2]. |
| Authors of publication | Nguyen, Duc Hanh; Daran, Jean-Claude; Mallet-Ladeira, Sonia; Davin, Thomas; Maron, Laurent; Urrutigoïty, Martine; Kalck, Philippe; Gouygou, Maryse |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 1 |
| Pages of publication | 75 - 81 |
| a | 10.0456 ± 0.0003 Å |
| b | 10.8211 ± 0.0004 Å |
| c | 11.5003 ± 0.0004 Å |
| α | 103.09 ± 0.003° |
| β | 94.498 ± 0.003° |
| γ | 117.213 ± 0.004° |
| Cell volume | 1058.7 ± 0.08 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0262 |
| Residual factor for significantly intense reflections | 0.0216 |
| Weighted residual factors for significantly intense reflections | 0.0552 |
| Weighted residual factors for all reflections included in the refinement | 0.0561 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179913 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/08. |
7020815.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7020815.cif |
| 73676 | 2013-02-21 | cif/ Adding structures of 7020814, 7020815 via cif-deposit CGI script. |
7020815.cif |
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Users of the data should acknowledge the original authors of the
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