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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 |
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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 |
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