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Information card for entry 4340840
Preview
| Coordinates | 4340840.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (1,3-bis(2,6-di-iso-propylphenyl)imidazol-2-ylidene) (2,2'-dipyridylamine) copper hexafluorophosphate |
|---|---|
| Formula | C38 H46 Cl3 Cu F6 N5 P |
| Calculated formula | C38 H46 Cl3 Cu F6 N5 P |
| SMILES | [Cu]1([n]2c(Nc3[n]1cccc3)cccc2)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.[P](F)(F)(F)(F)(F)[F-].ClC(Cl)Cl |
| Title of publication | NHC Copper(I) Complexes Bearing Dipyridylamine Ligands: Synthesis, Structural, and Photoluminescent Studies. |
| Authors of publication | Marion, Ronan; Sguerra, Fabien; Di Meo, Florent; Sauvageot, Elodie; Lohier, Jean-François; Daniellou, Richard; Renaud, Jean-Luc; Linares, Mathieu; Hamel, Matthieu; Gaillard, Sylvain |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 17 |
| Pages of publication | 9181 - 9191 |
| a | 12.0145 ± 0.0004 Å |
| b | 16.2594 ± 0.0005 Å |
| c | 21.7469 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4248.2 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0517 |
| Residual factor for significantly intense reflections | 0.0433 |
| Weighted residual factors for significantly intense reflections | 0.1192 |
| Weighted residual factors for all reflections included in the refinement | 0.1251 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179511 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/08. |
4340840.cif |
| 171438 | 2015-12-11 | cod/ (antanas@echidna.ibt.lt) Replacing '’' sequences with a quotation mark ("'") in _chemical_name_systematic tag values in multiple entries. |
4340840.cif |
| 122929 | 2014-09-06 | cif/ Updating files of 4340834, 4340835, 4340836, 4340837, 4340838, 4340839, 4340840, 4340841 Original log message: Adding full bibliography for 4340834--4340841.cif. |
4340840.cif |
| 122197 | 2014-08-19 | cif/ Adding structures of 4340840 via cif-deposit CGI script. |
4340840.cif |
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