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Information card for entry 1519679
Preview
| Coordinates | 1519679.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H24 Cl2 N36 O8 Zn |
|---|---|
| Calculated formula | C6 H24 Cl2 N36 O8 Zn |
| SMILES | c1([n](nnn1N)[Zn]([n]1c(n(nn1)N)N)([n]1c(n(nn1)N)N)([n]1c(n(nn1)N)N)([n]1c(n(nn1)N)N)[n]1c(n(nn1)N)N)N.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
| Title of publication | Controllable explosion: fine-tuning the sensitivity of high-energy complexes. |
| Authors of publication | Wang, Kun; Zeng, Dihao; Zhang, Jian-Guo; Cui, Yan; Zhang, Tong-Lai; Li, Zhi-Min; Jin, Xin |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 28 |
| Pages of publication | 12497 - 12501 |
| a | 11.8398 ± 0.0009 Å |
| b | 11.8398 ± 0.0009 Å |
| c | 6.57 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 797.6 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 147 |
| Hermann-Mauguin space group symbol | P -3 |
| Hall space group symbol | -P 3 |
| Residual factor for all reflections | 0.0355 |
| Residual factor for significantly intense reflections | 0.0289 |
| Weighted residual factors for significantly intense reflections | 0.0748 |
| Weighted residual factors for all reflections included in the refinement | 0.0795 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1519679.cif |
| 143697 | 2015-07-11 | cif/ Updating files of 1519678, 1519679 Original log message: Adding full bibliography for 1519678--1519679.cif. |
1519679.cif |
| 136647 | 2015-05-16 | cif/ Adding structures of 1519678, 1519679 via cif-deposit CGI script. |
1519679.cif |
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