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Information card for entry 2218643
Preview
Coordinates | 2218643.cif |
---|---|
Structure factors | 2218643.hkl |
Original IUCr paper | HTML |
Common name | Bis(μ-methacrylato-O,O')-diaquobis(1,10-phenanthroline) dicopper(II) dinitrates dihydrates |
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Chemical name | Di-μ-methacrylato-κ^4^O:O'-bis[aquabis(1,10-phenanthroline- κ^2^N,N')copper(II)] dinitrate dihydrate |
Formula | C32 H34 Cu2 N6 O14 |
Calculated formula | C32 H34 Cu2 N6 O14 |
SMILES | [Cu]13(OC(C(C)=C)=[O][Cu]4(OC(C(C)=C)=[O]1)([OH2])[n]1cccc2ccc5ccc[n]4c5c12)([OH2])[n]1cccc2ccc4ccc[n]3c4c12.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O |
Title of publication | Di-μ-methacrylato-κ^4^<i>O</i>:<i>O</i>'-bis[aquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] dinitrate dihydrate |
Authors of publication | Tarafder, M. T. H.; Reza, M. Y.; Crouse, K. A.; Chantrapromma, Suchada; Fun, Hoong-Kun |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 7 |
Pages of publication | m872 - m873 |
a | 13.6146 ± 0.0002 Å |
b | 15.7322 ± 0.0002 Å |
c | 16.4463 ± 0.0002 Å |
α | 90° |
β | 102.131 ± 0.0008° |
γ | 90° |
Cell volume | 3443.94 ± 0.08 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0823 |
Residual factor for significantly intense reflections | 0.0473 |
Weighted residual factors for significantly intense reflections | 0.1 |
Weighted residual factors for all reflections included in the refinement | 0.1132 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
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/2218643.html
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