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Information card for entry 7708527
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| Coordinates | 7708527.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | barium N,N'-diisobutyldithiocarbamate |
|---|---|
| Formula | C36 H72 Ba2 N4 S8 |
| Calculated formula | C36 H72 Ba2 N4 S8 |
| Title of publication | Barium and titanium dithiocarbamates as precursors for colloidal nanocrystals of emerging optoelectronic materials. |
| Authors of publication | Ingram, Nicole E.; Jordan, Brian J.; Donnadieu, Bruno; Creutz, Sidney E. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| a | 11.5655 ± 0.0009 Å |
| b | 15.3903 ± 0.0012 Å |
| c | 16.1262 ± 0.0012 Å |
| α | 104.395 ± 0.003° |
| β | 104.143 ± 0.003° |
| γ | 100.801 ± 0.003° |
| Cell volume | 2600.2 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0355 |
| Residual factor for significantly intense reflections | 0.0245 |
| Weighted residual factors for significantly intense reflections | 0.0474 |
| Weighted residual factors for all reflections included in the refinement | 0.0508 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269807 (current) | 2021-10-07 | cif/ Adding structures of 7708527, 7708528 via cif-deposit CGI script. |
7708527.cif |
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