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Information card for entry 1570525
Preview
| Coordinates | 1570525.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H11 Cl N2 O2 Se |
|---|---|
| Calculated formula | C8 H11 Cl N2 O2 Se |
| Title of publication | Hydrogen Bonds Stabilize Chloroselenite Anions: Crystal Structure of a New Salt and Donor-Acceptor Bonding to SeO<sub>2</sub>. |
| Authors of publication | Boeré, René T |
| Journal of publication | Molecules (Basel, Switzerland) |
| Year of publication | 2023 |
| Journal volume | 28 |
| Journal issue | 22 |
| Pages of publication | 7489 |
| a | 3.9773 ± 0.0003 Å |
| b | 28.477 ± 0.002 Å |
| c | 9.5781 ± 0.0009 Å |
| α | 90° |
| β | 91.242 ± 0.001° |
| γ | 90° |
| Cell volume | 1084.58 ± 0.15 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193.15 K |
| Number of distinct elements | 6 |
| 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 | 0.0393 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.0805 |
| Weighted residual factors for all reflections included in the refinement | 0.0827 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288112 (current) | 2023-12-07 | cif/ Adding structures of 1570525 via cif-deposit CGI script. |
1570525.cif |
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