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Information card for entry 4071050
Preview
| Coordinates | 4071050.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H45 F6 N O2 P3 Ru S2 Sb |
|---|---|
| Calculated formula | C39 H45 F6 N O2 P3 Ru S2 Sb |
| SMILES | C12P(c3ccccc3)(c3ccccc3)=NP(OCC)(OCC)=[S][Ru]345672([c]2([cH]3[cH]4[c]5([cH]6[cH]72)C(C)C)C)[S]=[P]1(c1ccccc1)c1ccccc1.[F-][Sb](F)(F)(F)(F)F |
| Title of publication | (η6-Arene)−Ruthenium(II) Complexes Containing Methanide and Methandiide Anions of Ph2P(S)CH2P(NR)Ph2: Unprecedented Insertion of Isocyanide into a Ruthenium−Carbene Bond |
| Authors of publication | Cadierno, Victorio; Díez, Josefina; García-Álvarez, Joaquín; Gimeno, José |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 8 |
| Pages of publication | 1809 |
| a | 11.3019 ± 0.0002 Å |
| b | 12.332 ± 0.0002 Å |
| c | 16.0514 ± 0.0003 Å |
| α | 97.042 ± 0.001° |
| β | 95.058 ± 0.001° |
| γ | 90.731 ± 0.001° |
| Cell volume | 2211.01 ± 0.07 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0461 |
| Residual factor for significantly intense reflections | 0.0415 |
| Weighted residual factors for significantly intense reflections | 0.1164 |
| Weighted residual factors for all reflections included in the refinement | 0.1216 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178599 (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 4/07/10. |
4071050.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071050.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071050.cif |
| 43011 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071047, 4071048, 4071049, 4071050, 4071051 via cif-deposit CGI script. |
4071050.cif |
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Users of the data should acknowledge the original authors of the
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