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Information card for entry 1507926
Preview
Coordinates | 1507926.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H58 Cu2 F12 N6 O19 S4 |
---|---|
Calculated formula | C56 H56 Cu2 F12 N6 O19 S4 |
SMILES | [Cu]12([OH2])[N](Cc3[n]1cccc3)(Cc1[n]2cccc1)Cc1cc2ccccc2c2Cc3c4ccccc4cc(c3OCCOc12)C[N]12[Cu]([OH2])([OH2])([n]3c(C1)cccc3)[n]1c(C2)cccc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O.O=C(C)C.C(F)(F)(F)S(=O)(=O)[O-] |
Title of publication | Binuclear copper(II) complexes 1: Synthesis, characterization and evaluation of a new complex in phosphatase-like activity |
Authors of publication | Schickea, Olivier; Faurea, Bruno; Giorgib, Michel; Simaana, A. Jalila; Reglier, Marius |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2012 |
Journal volume | 391 |
Pages of publication | 189 - 194 |
a | 18.3967 ± 0.0001 Å |
b | 13.868 ± 0.0001 Å |
c | 26.5326 ± 0.0002 Å |
α | 90° |
β | 98.194 ± 0.0004° |
γ | 90° |
Cell volume | 6700.04 ± 0.08 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0782 |
Residual factor for significantly intense reflections | 0.0648 |
Weighted residual factors for significantly intense reflections | 0.1712 |
Weighted residual factors for all reflections included in the refinement | 0.1815 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1507926.html
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