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Information card for entry 7719807
Preview
| Coordinates | 7719807.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H13 Cl3 N12 Zn |
|---|---|
| Calculated formula | C6 H13 Cl3 N12 Zn |
| Title of publication | Synthesis and SHG Properties of the Melamine-Based Material (C 3 N 6 H 7 )ZnX 3 (C 3 N 6 H 6 ) (X = Cl, Br) |
| Authors of publication | Groß, Melena; Meyer, Hans-Juergen; Brand, Catharina D.; Schmidt, Patrick; Parker, Tim Maikel; Zhang, Dai; Romao, Carl P. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2025 |
| a | 9.3366 ± 0.0002 Å |
| b | 6.6582 ± 0.0002 Å |
| c | 12.1344 ± 0.0003 Å |
| α | 90° |
| β | 101.703 ± 0.002° |
| γ | 90° |
| Cell volume | 738.65 ± 0.03 Å3 |
| Cell temperature | 150 ± 0.11 K |
| Ambient diffraction temperature | 150 ± 0.11 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0274 |
| Residual factor for significantly intense reflections | 0.0253 |
| Weighted residual factors for significantly intense reflections | 0.0584 |
| Weighted residual factors for all reflections included in the refinement | 0.0591 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0571 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303205 (current) | 2025-11-06 | cif/ Adding structures of 7719804, 7719805, 7719806, 7719807 via cif-deposit CGI script. |
7719807.cif |
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