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Information card for entry 4513425
Preview
| Coordinates | 4513425.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | di(mu-cyanoacetato)(1,2-di(4-pyridyl)ethylene)copper(II)monohydrate |
|---|---|
| Formula | C18 H14 Cu N4 O5 |
| Calculated formula | C18 H14 Cu N4 O5 |
| Title of publication | A Series of Cyanoacetato Copper(II) Coordination Polymers with VariousN,N′-Ditopic Spacers: Structural Diversity, Supramolecular Robustness, and Magnetic Properties |
| Authors of publication | Suvanvapee, Porntiva; Boonmak, Jaursup; Klongdee, Fatima; Pakawatchai, Chaveng; Moubaraki, Boujemaa; Murray, Keith S.; Youngme, Sujittra |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 8 |
| Pages of publication | 3804 |
| a | 23.9507 ± 0.0012 Å |
| b | 11.7986 ± 0.0006 Å |
| c | 14.5996 ± 0.0008 Å |
| α | 90° |
| β | 110.044 ± 0.001° |
| γ | 90° |
| Cell volume | 3875.7 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0405 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.082 |
| Weighted residual factors for all reflections included in the refinement | 0.0864 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4513425.cif |
| 154546 | 2015-09-05 | cif/ Updating files of 4513421, 4513422, 4513423, 4513424, 4513425, 4513426 Original log message: Adding full bibliography for 4513421--4513426.cif. |
4513425.cif |
| 152257 | 2015-07-18 | cif/ Adding structures of 4513422, 4513423, 4513424, 4513425, 4513426 via cif-deposit CGI script. |
4513425.cif |
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Users of the data should acknowledge the original authors of the
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