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Information card for entry 7230631
Preview
| Coordinates | 7230631.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 Cl4 O2 |
|---|---|
| Calculated formula | C6 Cl4 O2 |
| Title of publication | Characterization of the short OC⋯OC π-hole tetrel bond in the solid state |
| Authors of publication | Shukla, Rahul; Chopra, Deepak |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 24 |
| Pages of publication | 3308 |
| a | 8.5371 ± 0.0007 Å |
| b | 5.6623 ± 0.0004 Å |
| c | 8.6712 ± 0.0007 Å |
| α | 90° |
| β | 105.946 ± 0.004° |
| γ | 90° |
| Cell volume | 403.03 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0382 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.0891 |
| Weighted residual factors for all reflections included in the refinement | 0.0919 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228891 (current) | 2019-11-17 | cif/ Updating files of 7230630, 7230631 Original log message: Adding full bibliography for 7230630--7230631.cif. |
7230631.cif |
| 207763 | 2018-05-14 | cif/ Adding structures of 7230630, 7230631 via cif-deposit CGI script. |
7230631.cif |
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Users of the data should acknowledge the original authors of the
structural data.