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Information card for entry 4070309
Preview
| Coordinates | 4070309.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H25 Cl F4 P2 Ru |
|---|---|
| Calculated formula | C35 H25 Cl F4 P2 Ru |
| SMILES | [Ru]12345(Cl)([P](c6c([P]1(c1c(F)cccc1)c1c(F)cccc1)cccc6)(c1c(F)cccc1)c1c(F)cccc1)[cH]1[cH]2[cH]3[cH]4[cH]51 |
| Title of publication | Synthesis of a Ruthenium(II) Complex Containing an [11]ane-P2CNHC(NHC = Imidazolidin-2-ylidene) Macrocycle |
| Authors of publication | Flores-Figueroa, Aarón; Kaufhold, Oliver; Hepp, Alexander; Fröhlich, Roland; Hahn, F. Ekkehardt |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 21 |
| Pages of publication | 6362 |
| a | 14.5918 ± 0.0002 Å |
| b | 11.0255 ± 0.0002 Å |
| c | 19.0144 ± 0.0003 Å |
| α | 90° |
| β | 98.439 ± 0.001° |
| γ | 90° |
| Cell volume | 3025.95 ± 0.08 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0867 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.0951 |
| Weighted residual factors for all reflections included in the refinement | 0.1093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178592 (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 4/07/03. |
4070309.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4070309.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070309.cif |
| 40683 | 2012-03-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4070308, 4070309, 4070310, 4070311 via cif-deposit CGI script. |
4070309.cif |
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Users of the data should acknowledge the original authors of the
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