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Information card for entry 4073002
Preview
| Coordinates | 4073002.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H48 F6 N P3 Ru |
|---|---|
| Calculated formula | C39 H48 F6 N P3 Ru |
| SMILES | [Ru]1234([P](C5CCCCC5)C5CCCCC5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)([NH3])[cH]5[cH]1[cH]2[c]13cccc[c]451.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | A Highly Reactive Ruthenium Phosphido Complex Exhibiting Ru−P π-Bonding |
| Authors of publication | Derrah, Eric J.; Pantazis, Dimitrios A.; McDonald, Robert; Rosenberg, Lisa |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 6 |
| Pages of publication | 1473 |
| a | 9.1385 ± 0.0004 Å |
| b | 10.8856 ± 0.0005 Å |
| c | 20.1951 ± 0.0008 Å |
| α | 100.904 ± 0.0007° |
| β | 92.2008 ± 0.0007° |
| γ | 107.765 ± 0.0006° |
| Cell volume | 1868.68 ± 0.14 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0323 |
| Residual factor for significantly intense reflections | 0.0286 |
| Weighted residual factors for significantly intense reflections | 0.0752 |
| Weighted residual factors for all reflections included in the refinement | 0.0816 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178619 (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 4/07/30. |
4073002.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073002.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073002.cif |
| 46115 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073000, 4073001, 4073002, 4073003 via cif-deposit CGI script. |
4073002.cif |
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Users of the data should acknowledge the original authors of the
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