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Information card for entry 2244217
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Coordinates | 2244217.cif |
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Structure factors | 2244217.hkl |
Original IUCr paper | HTML |
Common name | Copper bis(mefenamate) diglyme monohydrate |
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Chemical name | Tetrakis[μ-2-(2,3-dimethylanilino)benzoato-κ^2^<i>O</i>:<i>O</i>']bis[aquacopper(II)]–1-methoxy-2-(2-methoxyethoxy)ethane (1/2) |
Formula | C72 H88 Cu2 N4 O16 |
Calculated formula | C72 H88 Cu2 N4 O16 |
Title of publication | Crystal structure of a copper–mefenamate complex solvated with diglyme and water |
Authors of publication | Chong, Magdalene W. S.; Ottoboni, Sara; Martin, Alan R. G.; Bowering, Deborah; Price, Chris J.; Nordon, Alison; Oswald, Iain D. H.; Ward, Martin R. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2022 |
Journal volume | 78 |
Journal issue | 12 |
a | 15.542 ± 0.0003 Å |
b | 14.001 ± 0.0003 Å |
c | 16.3217 ± 0.0003 Å |
α | 90° |
β | 94.791 ± 0.001° |
γ | 90° |
Cell volume | 3539.25 ± 0.12 Å3 |
Cell temperature | 105 ± 2 K |
Ambient diffraction temperature | 105 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0355 |
Residual factor for significantly intense reflections | 0.0333 |
Weighted residual factors for significantly intense reflections | 0.087 |
Weighted residual factors for all reflections included in the refinement | 0.089 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
279231 (current) | 2022-11-11 | cif/ hkl/ Adding structures of 2244217 via cif-deposit CGI script. |
2244217.cif 2244217.hkl |
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