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Information card for entry 4071653
Preview
| Coordinates | 4071653.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H53 B Cl3 F4 N P2 Ru |
|---|---|
| Calculated formula | C37 H53 B Cl3 F4 N P2 Ru |
| SMILES | [Ru]12(Cl)([P](Cc3[n]2c(ccc3)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)=C1c2ccccc2c2ccccc12.[B](F)(F)(F)[F-].ClCCl |
| Title of publication | Stable Carbene and Diazoalkane Complexes of the Same Complex System. Synthesis, Structure, and Reactivity of PNP−Ru(II) Fluorenylidene and Diazofluorene Complexes |
| Authors of publication | Zhang, Jing; Gandelman, Mark; Shimon, Linda J. W.; Milstein, David |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 14 |
| Pages of publication | 3526 |
| a | 16.659 ± 0.001 Å |
| b | 15.011 ± 0.001 Å |
| c | 16.473 ± 0.0009 Å |
| α | 90° |
| β | 109.116 ± 0.004° |
| γ | 90° |
| Cell volume | 3892.2 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0622 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.0855 |
| Weighted residual factors for all reflections included in the refinement | 0.0915 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178605 (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 4/07/16. |
4071653.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071653.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071653.cif |
| 43960 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071652, 4071653, 4071654, 4071655, 4071656 via cif-deposit CGI script. |
4071653.cif |
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Users of the data should acknowledge the original authors of the
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