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Information card for entry 4070697
Preview
| Coordinates | 4070697.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H38 B2 F8 Mo N7 |
|---|---|
| Calculated formula | C25 H38 B2 F8 Mo N7 |
| SMILES | [Mo]1234567([N](CC[N]1=c1n(c(c(n1C)C)C)C)=c1n(c(c(n1C)C)C)C)([N]#CC)[CH]1=[CH]7[CH]6=[CH]5[CH]4=[CH]3C21.[B](F)(F)(F)[F-].[B](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 | 20.015 ± 0.002 Å |
| b | 14.9142 ± 0.0014 Å |
| c | 20.075 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5992.5 ± 1 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0684 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0806 |
| Weighted residual factors for all reflections included in the refinement | 0.099 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| 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. |
4070697.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070697.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070697.cif |
| 42647 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070692, 4070693, 4070694, 4070695, 4070696, 4070697 via cif-deposit CGI script. |
4070697.cif |
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Users of the data should acknowledge the original authors of the
structural data.