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Information card for entry 2220246
Preview
Coordinates | 2220246.cif |
---|---|
Structure factors | 2220246.hkl |
Original IUCr paper | HTML |
Chemical name | {4,4'-Dibromo-2,2'-[2,2-dimethylpropane-1,3- diylbis(nitrilomethylidyne)]diphenolato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}copper(II) |
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Formula | C19 H18 Br2 Cu N2 O2 |
Calculated formula | C19 H18 Br2 Cu N2 O2 |
SMILES | [Cu]123Oc4ccc(Br)cc4C=[N]2CC(C[N]3=Cc2cc(Br)ccc2O1)(C)C |
Title of publication | {4,4'-Dibromo-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}copper(II) |
Authors of publication | Kargar, Hadi; Fun, Hoong-Kun; Kia, Reza |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 12 |
Pages of publication | m1541 - m1542 |
a | 9.1416 ± 0.0003 Å |
b | 9.6398 ± 0.0003 Å |
c | 11.5382 ± 0.0003 Å |
α | 75.21 ± 0.002° |
β | 78.913 ± 0.002° |
γ | 73.435 ± 0.002° |
Cell volume | 934.42 ± 0.05 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0474 |
Residual factor for significantly intense reflections | 0.0329 |
Weighted residual factors for significantly intense reflections | 0.0831 |
Weighted residual factors for all reflections included in the refinement | 0.0931 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
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/2220246.html
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Users of the data should acknowledge the original authors of the
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