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Information card for entry 7017736
Preview
| Coordinates | 7017736.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | mue2-eta2-eta2[(mue-eta1-eta1-E,Z-2,3,5,6-tetrafluoro1,6-diisocyano- hexa-1,5-dien-3-in)-bis(pentacarbonylchromium)]dicobalt |
|---|---|
| Formula | C24 Co2 Cr2 F4 N2 O16 |
| Calculated formula | C24 Co2 Cr2 F4 N2 O16 |
| SMILES | [Co]12([Co]3([C]1(C(=C(F)\[N]#C[Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])\F)=[C]23/C(=C(F)\[N]#C[Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])F)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | Syntheses of highly unsaturated isocyanides via organometallic pathways. |
| Authors of publication | Mujkic, Monika; Lentz, Dieter |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 3 |
| Pages of publication | 839 - 849 |
| a | 13.656 ± 0.001 Å |
| b | 12.1796 ± 0.0009 Å |
| c | 36.97 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6149 ± 0.8 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 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 | 0.0987 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.0606 |
| Weighted residual factors for all reflections included in the refinement | 0.0679 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179881 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/77. |
7017736.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7017736.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7017736.cif |
| 33404 | 2012-02-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7017735, 7017736, 7017737, 7017738, 7017739 via cif-deposit CGI script. |
7017736.cif |
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