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Information card for entry 1556708
Preview
Coordinates | 1556708.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H16 Br4 Cu2 N8 O2 |
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Calculated formula | C14 H16 Br4 Cu2 N8 O2 |
SMILES | c1[n]2c(C(=[NH][Cu]32([Br][Cu]2([n]4cn(C)c(C#N)c4C(=[NH]2)OC)([Br]3)Br)Br)OC)c(C#N)n1C |
Title of publication | Activation of the Cyano Group at Imidazole via Copper Stimulated Alcoholysis |
Authors of publication | Gayfullina, R.; Jaaskelainen, S.; Koshevoy, I.O.; Hirva, P. |
Journal of publication | Inorganics |
Year of publication | 2019 |
Journal volume | 7 |
Pages of publication | 87 |
a | 7.3978 ± 0.0002 Å |
b | 7.6151 ± 0.0002 Å |
c | 10.7043 ± 0.0003 Å |
α | 81.023 ± 0.002° |
β | 88.684 ± 0.002° |
γ | 84.835 ± 0.002° |
Cell volume | 593.2 ± 0.03 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0724 |
Residual factor for significantly intense reflections | 0.0546 |
Weighted residual factors for significantly intense reflections | 0.1 |
Weighted residual factors for all reflections included in the refinement | 0.1068 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
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/1556708.html
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