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Information card for entry 7118266
Preview
Coordinates | 7118266.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H38 Cl2 Cu2 N6 |
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Calculated formula | C36 H38 Cl2 Cu2 N6 |
SMILES | C1(N(C=CN1Cc1ccccn1)c1c(cc(cc1C)C)C)=[Cu]1[Cl][Cu](=C2N(C=CN2Cc2ncccc2)c2c(cc(cc2C)C)C)[Cl]1 |
Title of publication | Cuprophilic interactions in highly luminescent dicopper(i)-NHC-picolyl complexes - fast phosphorescence or TADF? |
Authors of publication | Nitsch, Jörn; Lacemon, Frederick; Lorbach, Andreas; Eichhorn, Antonius; Cisnetti, Federico; Steffen, Andreas |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2016 |
Journal volume | 52 |
Journal issue | 14 |
Pages of publication | 2932 - 2935 |
a | 10.0169 ± 0.0004 Å |
b | 15.969 ± 0.0006 Å |
c | 10.7209 ± 0.0004 Å |
α | 90° |
β | 95.056 ± 0.001° |
γ | 90° |
Cell volume | 1708.24 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.023 |
Residual factor for significantly intense reflections | 0.021 |
Weighted residual factors for significantly intense reflections | 0.0532 |
Weighted residual factors for all reflections included in the refinement | 0.0541 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7118266.html
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