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Information card for entry 4067125
Preview
| Coordinates | 4067125.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H48 Fe I N2 O P |
|---|---|
| Calculated formula | C34 H48 Fe I N2 O P |
| SMILES | C(#[O])[Fe]12345(=C(NCCC[P]5(c5ccccc5)c5ccccc5)N(CCCCCC)CCCCCC)[cH]5[cH]1[cH]2[cH]3[cH]45.[I-] |
| Title of publication | Phosphine-Tethered Carbene Ligands: Template Synthesis and Reactivity of Cyclic and Acyclic Functionalized Carbenes |
| Authors of publication | Yu, Insun; Wallis, Christopher J.; Patrick, Brian O.; Diaconescu, Paula L.; Mehrkhodavandi, Parisa |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 22 |
| Pages of publication | 6065 |
| a | 12.969 ± 0.0004 Å |
| b | 16.5713 ± 0.0006 Å |
| c | 15.7782 ± 0.0005 Å |
| α | 90° |
| β | 104.923 ± 0.002° |
| γ | 90° |
| Cell volume | 3276.58 ± 0.19 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0492 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0765 |
| Weighted residual factors for all reflections included in the refinement | 0.0834 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178562 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/71. |
4067125.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067125.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067125.cif |
| 34089 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067124, 4067125, 4067126, 4067127, 4067128, 4067129, 4067130 via cif-deposit CGI script. |
4067125.cif |
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Users of the data should acknowledge the original authors of the
structural data.