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Information card for entry 1549358
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| Coordinates | 1549358.cif |
|---|---|
| Structure factors | 1549358.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(4-methylbenzylammonium) tetrabromidozincate |
|---|---|
| Formula | C16 H24 Br4 N2 Zn |
| Calculated formula | C16 H24 Br4 N2 Zn |
| SMILES | c1(ccc(cc1)C[NH3+])C.c1(ccc(cc1)C)C[NH3+].[Zn](Br)(Br)([Br-])[Br-] |
| Title of publication | Bis(4-methylbenzylammonium) tetrabromidozincate |
| Authors of publication | Aarthi, Ramkumar; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 5 |
| Pages of publication | x180648 |
| a | 11.0702 ± 0.0005 Å |
| b | 26.0585 ± 0.0013 Å |
| c | 7.7302 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2229.95 ± 0.17 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0807 |
| Residual factor for significantly intense reflections | 0.074 |
| Weighted residual factors for significantly intense reflections | 0.1526 |
| Weighted residual factors for all reflections included in the refinement | 0.1557 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.356 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 207603 (current) | 2018-05-01 | cif/ hkl/ Adding structures of 1549358 via cif-deposit CGI script. |
1549358.cif 1549358.hkl |
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