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Information card for entry 7231942
Preview
| Coordinates | 7231942.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H12 Cl3 F2 N2 O3 Re |
|---|---|
| Calculated formula | C19 H12 Cl3 F2 N2 O3 Re |
| Title of publication | New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies |
| Authors of publication | Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R. |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 1 |
| Pages of publication | 77 |
| a | 7.3006 ± 0.0005 Å |
| b | 11.598 ± 0.0007 Å |
| c | 12.6789 ± 0.0008 Å |
| α | 104.105 ± 0.005° |
| β | 97.855 ± 0.005° |
| γ | 96.998 ± 0.005° |
| Cell volume | 1017.88 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0361 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for significantly intense reflections | 0.0556 |
| Weighted residual factors for all reflections included in the refinement | 0.0583 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223521 (current) | 2019-11-07 | cif/ Updating files of 7231936, 7231937, 7231938, 7231939, 7231940, 7231941, 7231942, 7231943, 7231944 Original log message: Adding full bibliography for 7231936--7231944.cif. |
7231942.cif |
| 212363 | 2018-12-05 | cif/ Adding structures of 7231936, 7231937, 7231938, 7231939, 7231940, 7231941, 7231942, 7231943, 7231944 via cif-deposit CGI script. |
7231942.cif |
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Users of the data should acknowledge the original authors of the
structural data.