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Information card for entry 4333325
Preview
| Coordinates | 4333325.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Ru(η^5^C~5~H~5~)(N~2~){(Κ^2^-P,P')-^i^Pr~2~PNH(C~6~H~10~)NHP^i^Pr~2~}] [B{(C~6~H~3~(CF~3~)~2~}~4~] |
|---|---|
| Formula | C55 H57 B F24 N4 P2 Ru |
| Calculated formula | C55 H57 B F24 N4 P2 Ru |
| SMILES | [Ru]12345([P](N[C@H]6[C@H](N[P]1(C(C)C)C(C)C)CCCC6)(C(C)C)C(C)C)([N]#N)[cH]1[cH]5[cH]4[cH]3[cH]21.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |
| Title of publication | Coordinatively Unsaturated Semisandwich Complexes of Ruthenium with Phosphinoamine Ligands and Related Species: A Complex Containing (R,R)-1,2-Bis((diisopropylphosphino)amino)cyclohexane in a New Coordination Form κ3P,P‘,N-η2-P,N |
| Authors of publication | Palacios, M. Dolores; Puerta, M. Carmen; Valerga, Pedro; Lledós, Agustí; Veilly, Edouard |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 17 |
| Pages of publication | 6958 - 6967 |
| a | 13.079 ± 0.003 Å |
| b | 17.54 ± 0.004 Å |
| c | 26.037 ± 0.005 Å |
| α | 90° |
| β | 93.51 ± 0.03° |
| γ | 90° |
| Cell volume | 5962 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0613 |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for significantly intense reflections | 0.1373 |
| Weighted residual factors for all reflections included in the refinement | 0.1382 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179436 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/33. |
4333325.cif |
| 98932 | 2014-01-30 | cif/ Adding structures of 4333324, 4333325, 4333326, 4333327 via cif-deposit CGI script. |
4333325.cif |
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Users of the data should acknowledge the original authors of the
structural data.