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Information card for entry 4513458
Preview
| Coordinates | 4513458.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H18 Cd N6 O12 |
|---|---|
| Calculated formula | C27 H18 Cd N6 O12 |
| Title of publication | Metal‒Organic Frameworks Built from a Linear Rigid Dicarboxylate and Different Colinkers: Trap of the Keto Form of Ethylacetoacetate, Luminescence and Ferroelectric Studies |
| Authors of publication | Pal, Tapan K.; Katoch, Rajesh; Garg, Ashish; Bharadwaj, Parimal K. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 9 |
| Pages of publication | 4526 |
| a | 13.46 ± 0.005 Å |
| b | 17.872 ± 0.005 Å |
| c | 12.446 ± 0.005 Å |
| α | 90° |
| β | 97.112 ± 0.005° |
| γ | 90° |
| Cell volume | 2970.9 ± 1.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0819 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.1276 |
| Weighted residual factors for all reflections included in the refinement | 0.1436 |
| 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 | 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. |
4513458.cif |
| 154576 | 2015-09-05 | cif/ Updating files of 4513455, 4513456, 4513457, 4513458, 4513459, 4513460 Original log message: Adding full bibliography for 4513455--4513460.cif. |
4513458.cif |
| 152663 | 2015-08-01 | cif/ Adding structures of 4513455, 4513456, 4513457, 4513458, 4513459, 4513460 via cif-deposit CGI script. |
4513458.cif |
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Users of the data should acknowledge the original authors of the
structural data.