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Information card for entry 4070696
Preview
| Coordinates | 4070696.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H44 F6 Mo N7 P |
|---|---|
| Calculated formula | C32 H44 F6 Mo N7 P |
| SMILES | [Mo]1234567([N](CC[N]1=c1n(c(c(n1C)C)C)C)=c1n(c(c(n1C)C)C)C)(C1[CH]2=[CH]3[CH]4=[CH]5[CH]6=[CH]71)C#[N]c1c(cccc1C)C.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Synthesis and Reactivity of 16-Electron Cycloheptatrienyl-Molybdenum(0) Complexes with Bis(imidazolin-2-imine) Ligands |
| Authors of publication | Petrovic, Dejan; Hrib, Cristian G.; Randoll, Sören; Jones, Peter G.; Tamm, Matthias |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 4 |
| Pages of publication | 778 |
| a | 8.009 ± 0.0006 Å |
| b | 27.588 ± 0.002 Å |
| c | 15.9818 ± 0.0012 Å |
| α | 90° |
| β | 100.119 ± 0.002° |
| γ | 90° |
| Cell volume | 3476.3 ± 0.4 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 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 | 0.0891 |
| Residual factor for significantly intense reflections | 0.0528 |
| Weighted residual factors for significantly intense reflections | 0.1218 |
| Weighted residual factors for all reflections included in the refinement | 0.1428 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178595 (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 4/07/06. |
4070696.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070696.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070696.cif |
| 42647 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070692, 4070693, 4070694, 4070695, 4070696, 4070697 via cif-deposit CGI script. |
4070696.cif |
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Users of the data should acknowledge the original authors of the
structural data.