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Information card for entry 7245598
Preview
| Coordinates | 7245598.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H8 Cu2 N2 O11 |
|---|---|
| Calculated formula | C7 H8 Cu2 N2 O11 |
| Title of publication | NIR light-driving deflagration of energetic copper complexes through photothermal effect |
| Authors of publication | Tan, Bin; Chen, Chao; Chen, Yun-Rui; Zhang, Jie; Yang, Guo-Yu |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 6.9081 ± 0.0004 Å |
| b | 8.0731 ± 0.0005 Å |
| c | 11.5005 ± 0.0008 Å |
| α | 105.515 ± 0.006° |
| β | 92.979 ± 0.005° |
| γ | 97.637 ± 0.005° |
| Cell volume | 609.95 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0388 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.086 |
| Weighted residual factors for all reflections included in the refinement | 0.0912 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278284 (current) | 2022-10-01 | cif/ Adding structures of 7245597, 7245598, 7245599 via cif-deposit CGI script. |
7245598.cif |
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Users of the data should acknowledge the original authors of the
structural data.