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Information card for entry 2218620
Preview
Coordinates | 2218620.cif |
---|---|
Structure factors | 2218620.hkl |
Original IUCr paper | HTML |
Chemical name | μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N'</i>- bis{[2-(3,5-Dibromo-2-oxidobenzylideneamino)-3-hydroxypropanoato- κ^3^<i>O</i>,<i>N</i>,<i>O'</i>]copper(II)} monohydrate |
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Formula | C30 H24 Br4 Cu2 N4 O9 |
Calculated formula | C30 H24 Br4 Cu2 N4 O9 |
SMILES | [Cu@@]12([N]([C@H](C(=O)O1)CO)=Cc1c(O2)c(Br)cc(Br)c1)[n]1ccc(cc1)c1cc[n]([Cu@@]23Oc4c(C=[N]2[C@H](C(=O)O3)CO)cc(Br)cc4Br)cc1.O |
Title of publication | μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis{[2-(3,5-dibromo-2-oxidobenzylideneamino)-3-hydroxypropanoato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)} monohydrate |
Authors of publication | Wang, Yong Liao; Liu, Zheng; Wang, Yuan |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 7 |
Pages of publication | m953 |
a | 7.3905 ± 0.0007 Å |
b | 11.3374 ± 0.0016 Å |
c | 19.943 ± 0.002 Å |
α | 90° |
β | 93.686 ± 0.002° |
γ | 90° |
Cell volume | 1667.5 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1332 |
Residual factor for significantly intense reflections | 0.0733 |
Weighted residual factors for significantly intense reflections | 0.1704 |
Weighted residual factors for all reflections included in the refinement | 0.1872 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
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/2218620.html
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Users of the data should acknowledge the original authors of the
structural data.