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Information card for entry 1543424
Preview
| Coordinates | 1543424.cif |
|---|---|
| Structure factors | 1543424.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (<i>N</i>-{Amino[(diaminomethylidene)amino]methylidene}-<i>N</i>-methylmethanaminium)tribromidozinc(II) |
|---|---|
| Formula | C4 H12 Br3 N5 Zn |
| Calculated formula | C4 H12 Br3 N5 Zn |
| SMILES | C(N)(=[N](C(=[NH2+])N)[Zn](Br)(Br)Br)N(C)C |
| Title of publication | (N-{Amino[(diaminomethylidene)amino]methylidene}-N-methylmethanaminium)tribromidozinc(II) |
| Authors of publication | Germán-Acacio, Juan M.; Rivas Arzate, Chrystian; Cardenas-Valencia, Zeus; Flores-Alamo, Marcos; Morales-Morales, David |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 6 |
| a | 12.8934 ± 0.0009 Å |
| b | 7.6576 ± 0.0004 Å |
| c | 13.2374 ± 0.0009 Å |
| α | 90° |
| β | 113.58 ± 0.008° |
| γ | 90° |
| Cell volume | 1197.83 ± 0.15 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0821 |
| Residual factor for significantly intense reflections | 0.0623 |
| Weighted residual factors for significantly intense reflections | 0.1891 |
| Weighted residual factors for all reflections included in the refinement | 0.2056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183363 (current) | 2016-06-11 | cif/ hkl/ Adding structures of 1543424 via cif-deposit CGI script. |
1543424.cif 1543424.hkl |
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Users of the data should acknowledge the original authors of the
structural data.