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Information card for entry 4082471
Preview
| Coordinates | 4082471.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C104 H75 Cl10 Cu N2 |
|---|---|
| Calculated formula | C104 H75 Cl10 Cu N2 |
| Title of publication | IPr*(2-Np)—An Exceedingly Bulky N-Heterocyclic Carbene |
| Authors of publication | Dierick, Steve; Dewez, Damien F.; Markó, István E. |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 3 |
| Pages of publication | 677 |
| a | 14.1747 ± 0.0004 Å |
| b | 14.3542 ± 0.0002 Å |
| c | 25.0078 ± 0.0008 Å |
| α | 73.281 ± 0.002° |
| β | 82.616 ± 0.003° |
| γ | 78.712 ± 0.002° |
| Cell volume | 4764.7 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1093 |
| Residual factor for significantly intense reflections | 0.0896 |
| Weighted residual factors for significantly intense reflections | 0.2542 |
| Weighted residual factors for all reflections included in the refinement | 0.2701 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178713 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/24. |
4082471.cif |
| 104415 | 2014-03-11 | cif/ Adding structures of 4082469, 4082470, 4082471 via cif-deposit CGI script. |
4082471.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.