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Information card for entry 7113518
Preview
Coordinates | 7113518.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C86 H74 Cu2 N10 O8 S4 |
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Calculated formula | C86 H68 Cu2 N10 O8 S4 |
SMILES | c12[N]3=Cc4c(N(S(=O)(=O)c5ccc(cc5)C)[Cu]53N(c3c(C=[N]5c5ccc(Cc6ccc([N]7=Cc8c(N(S(=O)(=O)c9ccc(cc9)C)[Cu]97N(c7c(C=[N]9c9ccc(Cc(cc1)cc2)cc9)cccc7)S(=O)(=O)c1ccc(cc1)C)cccc8)cc6)cc5)cccc3)S(=O)(=O)c1ccc(cc1)C)cccc4.C(#N)C.C(#N)C |
Title of publication | A 3D network of helicates fully assembled by ?-stacking interactions |
Authors of publication | V�zquez, Miguel; Taglietti, Angelo; Gatteschi, Dante; Sorace, Lorenzo; Sangregorio, Claudio; Gonz�lez, Ana M.; Maneiro, Marcelino; Pedrido, Rosa M.; Bermejo, Manuel R. |
Journal of publication | Chemical Communications |
Year of publication | 2003 |
Journal issue | 15 |
Pages of publication | 1840 |
a | 17.156 ± 0.002 Å |
b | 21.443 ± 0.003 Å |
c | 41.221 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 15164 ± 3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 70 |
Hermann-Mauguin space group symbol | F d d d :2 |
Hall space group symbol | -F 2uv 2vw |
Residual factor for all reflections | 0.1109 |
Residual factor for significantly intense reflections | 0.0503 |
Weighted residual factors for significantly intense reflections | 0.1367 |
Weighted residual factors for all reflections included in the refinement | 0.168 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7113518.html
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Users of the data should acknowledge the original authors of the
structural data.