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Information card for entry 7721066
Preview
| Coordinates | 7721066.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H48 B2 F8 N12 Ni |
|---|---|
| Calculated formula | C36 H48 B2 F8 N12 Ni |
| Title of publication | Energetic Mn(II)/Ni(II) Coordination Compounds in Catalyzing RDX and HMX Decomposition and Enhancing Combustion |
| Authors of publication | Ge, Mingcheng; Liu, Xuankun; Yang, Jianguo; Yan, Jinfeng; Zhang, Jianguo; Li, Zhimin |
| Journal of publication | Dalton Transactions |
| Year of publication | 2026 |
| a | 8.44 ± 0.0008 Å |
| b | 14.2634 ± 0.0014 Å |
| c | 18.063 ± 0.005 Å |
| α | 90° |
| β | 104.819 ± 0.015° |
| γ | 90° |
| Cell volume | 2102.2 ± 0.7 Å3 |
| Cell temperature | 115.95 ± 0.1 K |
| Ambient diffraction temperature | 115.95 ± 0.1 K |
| Number of distinct elements | 6 |
| 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 | 0.1128 |
| Residual factor for significantly intense reflections | 0.0664 |
| Weighted residual factors for significantly intense reflections | 0.1259 |
| Weighted residual factors for all reflections included in the refinement | 0.1576 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306168 (current) | 2026-06-02 | cif/ Adding structures of 7721065, 7721066 via cif-deposit CGI script. |
7721066.cif |
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Users of the data should acknowledge the original authors of the
structural data.