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Information card for entry 2022786
Preview
| Coordinates | 2022786.cif |
|---|---|
| Structure factors | 2022786.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>catena</i>-Poly[[[quinazolin-4(3<i>H</i>)-one-κ<i>N</i>^3^]cadmium(II)]-di-μ-bromido] |
|---|---|
| Formula | C8 H6 Br2 Cd N2 O |
| Calculated formula | C8 H6 Br2 Cd N2 O |
| Title of publication | Metal halide coordination compounds with quinazolin-4(3H)-one |
| Authors of publication | Turgunov, Kambarali K.; Englert, Ulli |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 7 |
| a | 10.793 ± 0.0011 Å |
| b | 7.2019 ± 0.0007 Å |
| c | 13.7605 ± 0.0014 Å |
| α | 90° |
| β | 100.47 ± 0.0018° |
| γ | 90° |
| Cell volume | 1051.79 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0557 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.0693 |
| Weighted residual factors for all reflections included in the refinement | 0.0758 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284692 (current) | 2023-06-29 | cif/ hkl/ Adding structures of 2022786, 2022787, 2022788 via cif-deposit CGI script. |
2022786.cif 2022786.hkl |
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Users of the data should acknowledge the original authors of the
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