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Information card for entry 7041524
Preview
| Coordinates | 7041524.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H96 Co2 N6 |
|---|---|
| Calculated formula | C72 H96 Co2 N6 |
| SMILES | C1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=[Co]12[NH](c3c(cc(cc3C)C)C)[Co]2(=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[NH]1c1c(cc(cc1C)C)C |
| Title of publication | Heteroleptic, two-coordinate [M(NHC){N(SiMe3)2}] (M = Co, Fe) complexes: synthesis, reactivity and magnetism rationalized by an unexpected metal oxidation state. |
| Authors of publication | Danopoulos, Andreas A.; Braunstein, Pierre; Monakhov, Kirill Yu; van Leusen, Jan; Kögerler, Paul; Clémancey, Martin; Latour, Jean-Marc; Benayad, Anass; Tromp, Moniek; Rezabal, Elixabete; Frison, Gilles |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2017 |
| Journal volume | 46 |
| Journal issue | 4 |
| Pages of publication | 1163 - 1171 |
| a | 12.1174 ± 0.0005 Å |
| b | 12.5086 ± 0.0005 Å |
| c | 13.6791 ± 0.0005 Å |
| α | 102.249 ± 0.001° |
| β | 113.915 ± 0.001° |
| γ | 99.529 ± 0.001° |
| Cell volume | 1777.26 ± 0.12 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0555 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.13 |
| Weighted residual factors for all reflections included in the refinement | 0.1359 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 191603 (current) | 2017-02-04 | cif/ Updating files of 7041522, 7041523, 7041524, 7041525 Original log message: Adding full bibliography for 7041522--7041525.cif. |
7041524.cif |
| 189319 | 2016-12-22 | cif/ Adding structures of 7041522, 7041523, 7041524, 7041525 via cif-deposit CGI script. |
7041524.cif |
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