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Information card for entry 4339716
Preview
| Coordinates | 4339716.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 1 |
|---|---|
| Formula | C10 H12 F6 N3 P |
| Calculated formula | C10 H12 F6 N3 P |
| SMILES | c1n(cc[n+]1c1c(cccn1)C)C.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Preparation of Au(I), Ag(I), and Pd(II) N-heterocyclic carbene complexes utilizing a methylpyridyl-substituted NHC ligand. formation of a luminescent coordination polymer. |
| Authors of publication | Catalano, Vincent J.; Etogo, Anthony O. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 14 |
| Pages of publication | 5608 - 5615 |
| a | 9.0762 ± 0.0003 Å |
| b | 10.2474 ± 0.0004 Å |
| c | 15.1786 ± 0.0005 Å |
| α | 86.929 ± 0.001° |
| β | 86.584 ± 0.001° |
| γ | 64.721 ± 0.001° |
| Cell volume | 1273.65 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0704 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1262 |
| Weighted residual factors for all reflections included in the refinement | 0.1358 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4339716.cif |
| 179500 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/97. |
4339716.cif |
| 153466 | 2015-08-16 | cif/4 Fixing some Z values and formulae |
4339716.cif |
| 117500 | 2014-06-15 | cif/ Adding structures of 4339716, 4339717, 4339718, 4339719, 4339720 via cif-deposit CGI script. |
4339716.cif |
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Users of the data should acknowledge the original authors of the
structural data.