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Information card for entry 4074936
Preview
| Coordinates | 4074936.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H37 K N2 |
|---|---|
| Calculated formula | C36 H37 K N2 |
| SMILES | [c]1n(ccn1CC[c-]1c2c(c3c1cccc3)cccc2)c1c(C(C)C)cccc1C(C)C.c1ccccc1.[K+] |
| Title of publication | Indenyl- and Fluorenyl-Functionalized N-Heterocyclic Carbene Complexes of Titanium and Vanadium |
| Authors of publication | Downing, Stephen P.; Danopoulos, Andreas A. |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 6 |
| Pages of publication | 1337 - 1340 |
| a | 20.531 ± 0.007 Å |
| b | 13.027 ± 0.004 Å |
| c | 23.378 ± 0.008 Å |
| α | 90° |
| β | 92.22 ± 0.005° |
| γ | 90° |
| Cell volume | 6248 ± 4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.122 |
| Residual factor for significantly intense reflections | 0.0663 |
| Weighted residual factors for significantly intense reflections | 0.152 |
| Weighted residual factors for all reflections included in the refinement | 0.1773 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.922 |
| Diffraction radiation wavelength | 0.6868 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209844 (current) | 2018-08-17 | cif/4/ Updating bibliography in entries 4060938-4060940, 4074936-4074938. Marking entries 4060938-4060940 as duplicates of entries 4074936-4074938. |
4074936.cif |
| 187017 | 2016-10-07 | Fixing some Z values and formulae in K compounds. |
4074936.cif |
| 178638 | 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 4/07/49. |
4074936.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074936.cif |
| 48976 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4074936, 4074937, 4074938 via cif-deposit CGI script. |
4074936.cif |
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