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Information card for entry 4516549
Preview
| Coordinates | 4516549.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H17 Cl4 Cu2 O12.5 |
|---|---|
| Calculated formula | C8 H12 Cl4 Cu2 O12.5 |
| Title of publication | Reaction of Copper(II) Chloroacetate with Pyrazole. Synthesis of a One-Dimensional Coordination Polymer and Unexpected Dehydrochlorination Reaction |
| Authors of publication | Carlotto, Silvia; Casarin, Maurizio; Lanza, Arianna; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Scatena, Rebecca |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 12 |
| Pages of publication | 5910 |
| a | 11.3022 ± 0.0003 Å |
| b | 13.1824 ± 0.0004 Å |
| c | 15.4119 ± 0.0004 Å |
| α | 65.155 ± 0.003° |
| β | 76.631 ± 0.002° |
| γ | 88.938 ± 0.002° |
| Cell volume | 2019.18 ± 0.11 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0542 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0854 |
| Weighted residual factors for all reflections included in the refinement | 0.0939 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231374 (current) | 2019-11-22 | cif/ Adding structures of 4516549 via cif-deposit CGI script. |
4516549.cif |
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