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Information card for entry 7039210
Preview
Coordinates | 7039210.cif |
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Original paper (by DOI) | HTML |
Formula | C50 H70 Br4 Cu4 N10 |
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Calculated formula | C50 H70 Br4 Cu4 N10 |
SMILES | [Br]1[Cu]2(Br)([C]34[Cu]52=C2N6Cc7[n]5c(ccc7)CN3C=CN4CCCCCCCCCCCCN2C=C6)[Br][Cu]21(Br)[C]13[Cu]42=C2N5Cc6cccc(CN1C=CN3CCCCCCCCCCCCN2C=C5)[n]46 |
Title of publication | Well-defined coinage metal transfer agents for the synthesis of NHC-based nickel, rhodium and palladium macrocycles. |
Authors of publication | Andrew, Rhiann E.; Storey, Caroline M.; Chaplin, Adrian B. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 21 |
Pages of publication | 8937 - 8944 |
a | 8.2779 ± 0.0002 Å |
b | 10.9565 ± 0.0003 Å |
c | 15.7732 ± 0.0005 Å |
α | 100.004 ± 0.002° |
β | 96.75 ± 0.002° |
γ | 106.179 ± 0.002° |
Cell volume | 1332.04 ± 0.07 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0403 |
Residual factor for significantly intense reflections | 0.0292 |
Weighted residual factors for significantly intense reflections | 0.0641 |
Weighted residual factors for all reflections included in the refinement | 0.0685 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation probe | x-ray |
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/7039210.html
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