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Information card for entry 1549521
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| Coordinates | 1549521.cif |
|---|---|
| Structure factors | 1549521.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(4-methoxybenzylammonium) tetrabromidocadmate(II) |
|---|---|
| Formula | C16 H24 Br4 Cd N2 O2 |
| Calculated formula | C16 H24 Br4 Cd N2 O2 |
| SMILES | c1(ccc(cc1)OC)C[NH3+].c1(ccc(cc1)C[NH3+])OC.Br[Cd](Br)([Br-])[Br-] |
| Title of publication | Bis(4-methoxybenzylammonium) tetrabromidocadmate(II) |
| Authors of publication | Umarani, Parthasarathy; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 6 |
| Pages of publication | x180795 |
| a | 16.7564 ± 0.0013 Å |
| b | 7.9403 ± 0.0006 Å |
| c | 17.9303 ± 0.0013 Å |
| α | 90° |
| β | 103.777 ± 0.003° |
| γ | 90° |
| Cell volume | 2317 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0867 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1082 |
| Weighted residual factors for all reflections included in the refinement | 0.1234 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300370 (current) | 2025-07-05 | Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis) |
1549521.cif 1549521.hkl |
| 208145 | 2018-06-05 | cif/ hkl/ Adding structures of 1549521 via cif-deposit CGI script. |
1549521.cif 1549521.hkl |
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Users of the data should acknowledge the original authors of the
structural data.