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Information card for entry 2227918
Preview
Coordinates | 2227918.cif |
---|---|
Structure factors | 2227918.hkl |
Original IUCr paper | HTML |
Chemical name | Di-μ-azido-bis({<i>N</i>'-[1-(2-pyridyl- κ<i>N</i>)ethylidene]acetohydrazidato-κ^2^<i>N</i>',<i>O</i>}dicopper(II)) |
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Formula | C18 H20 Cu2 N12 O2 |
Calculated formula | C18 H20 Cu2 N12 O2 |
SMILES | C1(=N[N]2[Cu]3(O1)([N](=N#N)[Cu]14([N]3=N#N)[n]3c(cccc3)C(C)=[N]1N=C(C)O4)[n]1c(cccc1)C=2C)C |
Title of publication | Di-μ-azido-bis({<i>N</i>'-[1-(2-pyridyl-κ<i>N</i>)ethylidene]acetohydrazidato-κ^2^<i>N</i>',<i>O</i>}dicopper(II)) |
Authors of publication | Datta, Amitabha; Das, Kuheli; Jhou, Yan-Ming; Huang, Jui-Hsien; Lee, Hon Man |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 10 |
Pages of publication | m1271 |
a | 7.589 ± 0.003 Å |
b | 8.955 ± 0.003 Å |
c | 9.693 ± 0.004 Å |
α | 66.534 ± 0.015° |
β | 69.461 ± 0.013° |
γ | 81.468 ± 0.016° |
Cell volume | 565.8 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.2586 |
Residual factor for significantly intense reflections | 0.0265 |
Weighted residual factors for significantly intense reflections | 0.0728 |
Weighted residual factors for all reflections included in the refinement | 0.0934 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2227918.html
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Users of the data should acknowledge the original authors of the
structural data.