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Information card for entry 7712615
Preview
| Coordinates | 7712615.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H12 N2 |
|---|---|
| Calculated formula | C20 H12 N2 |
| SMILES | N#Cc1cc(c2c(c3cc(C#N)ccc3)cccc2)ccc1 |
| Title of publication | Conductance of <i>o</i>-carborane-based wires with different substitution patterns. |
| Authors of publication | Xu, Shi-Nuo; Zheng, Yan; Ye, Jing-Yao; Chen, Zhong-Yang; Yan, Jian-Feng; Geng, Yan-Hou; Hong, Wenjing; Yuan, Yao-Feng |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2023 |
| a | 9.183 ± 0.006 Å |
| b | 9.523 ± 0.008 Å |
| c | 10.047 ± 0.009 Å |
| α | 99.63 ± 0.04° |
| β | 116.1 ± 0.03° |
| γ | 98.13 ± 0.04° |
| Cell volume | 754.6 ± 1.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0785 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.109 |
| Weighted residual factors for all reflections included in the refinement | 0.1225 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281879 (current) | 2023-03-15 | cif/ Adding structures of 7712614, 7712615, 7712616, 7712617, 7712618 via cif-deposit CGI script. |
7712615.cif |
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Users of the data should acknowledge the original authors of the
structural data.