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Information card for entry 7118261
Preview
Coordinates | 7118261.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H46 Cl6 Cu2 N6 |
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Calculated formula | C40 H46 Cl6 Cu2 N6 |
SMILES | C12N(C=CN1Cc1[n](ccc(c1)C)[Cu]1([Cu]=2([n]2c(CN3C=1N(C=C3)c1c(cc(cc1C)C)C)cc(cc2)C)Cl)Cl)c1c(C)cc(cc1C)C.C(Cl)Cl.C(Cl)Cl |
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 | 8.3293 ± 0.0013 Å |
b | 10.9929 ± 0.0017 Å |
c | 11.7343 ± 0.0018 Å |
α | 86.079 ± 0.005° |
β | 89.732 ± 0.006° |
γ | 77.869 ± 0.005° |
Cell volume | 1047.9 ± 0.3 Å3 |
Cell temperature | 102 K |
Ambient diffraction temperature | 102 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 | 0.0491 |
Residual factor for significantly intense reflections | 0.0363 |
Weighted residual factors for significantly intense reflections | 0.1043 |
Weighted residual factors for all reflections included in the refinement | 0.1225 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.146 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7118261.html
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