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Information card for entry 2229854
Preview
Coordinates | 2229854.cif |
---|---|
Structure factors | 2229854.hkl |
Original IUCr paper | HTML |
Common name | Poly[<i>N,N'</i>-Bis(5-bromosalicylidene)-1,4-butanediamine copper(II)] |
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Chemical name | <i>catena</i>-Poly[copper(II)-{μ~3~-4,4'-dibromo-2,2'-[butane-1,4- diylbis(nitrilomethanylylidene)]diphenolato- κ^4^<i>N</i>,<i>O</i>:<i>N</i>',<i>O</i>':<i>O</i>'}] |
Formula | C18 H16 Br2 Cu N2 O2 |
Calculated formula | C18 H16 Br2 Cu N2 O2 |
SMILES | [Cu]123Oc4ccc(Br)cc4C=[N]2CCCC[N]2[Cu]45(Oc6ccc(cc6C=2)Br)[O](c2ccc(cc2C=[N]4CCCC[N]3=Cc2c(ccc(c2)Br)O1)Br)[Cu]123[O]5c4ccc(Br)cc4C=[N]2CCCC[N]2[Cu]4(Oc5ccc(cc5C=2)Br)Oc2ccc(cc2C=[N]4CCCC[N]3=Cc2c(ccc(c2)Br)O1)Br |
Title of publication | <i>catena</i>-Poly[copper(II)-{μ~3~-4,4'-dibromo-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato-κ^4^<i>N</i>,<i>O</i>:<i>N</i>',<i>O</i>':<i>O</i>'}] |
Authors of publication | Kargar, Hadi; Kia, Reza |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 4 |
Pages of publication | m499 - m500 |
a | 24.0964 ± 0.0009 Å |
b | 10.5885 ± 0.0003 Å |
c | 15.3528 ± 0.0005 Å |
α | 90° |
β | 117.354 ± 0.003° |
γ | 90° |
Cell volume | 3479.2 ± 0.2 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 1 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0621 |
Residual factor for significantly intense reflections | 0.0493 |
Weighted residual factors for significantly intense reflections | 0.1315 |
Weighted residual factors for all reflections included in the refinement | 0.1387 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.185 |
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/2229854.html
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