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Information card for entry 1556673
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Coordinates | 1556673.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [(DPFN)Cu2(MeCP)](NTf2)2 |
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Formula | C36 H23 Cu2 F14 N8 O8 P S4 |
Calculated formula | C36 H23 Cu2 F14 N8 O8 P S4 |
SMILES | c12ccc3c4[n]2[Cu]256([C]7(C)=[P]5[Cu]5867[n]4c(cc3)C(c3cccc[n]53)(c3cccc[n]83)F)[n]3c(C1(c1cccc[n]21)F)cccc3.C(F)(F)(F)S(=O)(=O)N=S([O-])(=O)C(F)(F)F.C(F)(F)(F)S(=O)([O-])=NS(=O)(=O)C(F)(F)F |
Title of publication | Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex. |
Authors of publication | Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don |
Journal of publication | Chemical science |
Year of publication | 2020 |
Journal volume | 11 |
Journal issue | 6 |
Pages of publication | 1607 - 1616 |
a | 19.7106 ± 0.0002 Å |
b | 9.9489 ± 0.0001 Å |
c | 22.7748 ± 0.0002 Å |
α | 90° |
β | 99.808 ± 0.001° |
γ | 90° |
Cell volume | 4400.83 ± 0.07 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0369 |
Residual factor for significantly intense reflections | 0.0327 |
Weighted residual factors for significantly intense reflections | 0.1036 |
Weighted residual factors for all reflections included in the refinement | 0.113 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.618 |
Diffraction radiation wavelength | 1.39222 Å |
Diffraction radiation type | CuKβ |
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/1556673.html
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Users of the data should acknowledge the original authors of the
structural data.