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Information card for entry 1560862
Preview
Coordinates | 1560862.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H32 Cu N2 O2 |
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Calculated formula | C26 H32 Cu N2 O2 |
SMILES | c12O[Cu]3([N](=Cc1cccc2)C1CCCCC1)[N](=Cc1c(cccc1)O3)C1CCCCC1 |
Title of publication | Supramolecular structures of NiII and CuII with the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions |
Authors of publication | Shiryaev, Alexey A.; Burkhanova, Tatyana M.; Mitoraj, Mariusz P.; Kukulka, Mercedes; Sagan, Filip; Mahmoudi, Ghodrat; Babashkina, Maria G.; Bolte, Michael; Safin, Damir A. |
Journal of publication | IUCrJ |
Year of publication | 2021 |
Journal volume | 8 |
Journal issue | 3 |
a | 6.4641 ± 0.0004 Å |
b | 7.7224 ± 0.0005 Å |
c | 11.9925 ± 0.0007 Å |
α | 97.647 ± 0.005° |
β | 101.861 ± 0.005° |
γ | 105.261 ± 0.005° |
Cell volume | 553.99 ± 0.06 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0252 |
Residual factor for significantly intense reflections | 0.0251 |
Weighted residual factors for significantly intense reflections | 0.0692 |
Weighted residual factors for all reflections included in the refinement | 0.0693 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
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/1560862.html
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