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Information card for entry 7046542
Preview
| Coordinates | 7046542.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H44 Br4 Cl4 N4 Ni4 O8 |
|---|---|
| Calculated formula | C32 H44 Br4 Cl4 N4 Ni4 O8 |
| Title of publication | Evaluating the component contribution to the nonlinear optical performances using stable [Ni4O4] cuboidal clusters as models |
| Authors of publication | Hao, Zhi-Min; Chao, Meng-Yao; Liu, Yan; Song, Ying-Lin; Yang, Junyi; Ding, lifeng; Zhang, Wen-Hua; Lang, Jian-Ping |
| Journal of publication | Dalton Transactions |
| Year of publication | 2018 |
| a | 16.899 ± 0.003 Å |
| b | 16.899 ± 0.003 Å |
| c | 32.661 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9327 ± 3 Å3 |
| Cell temperature | 277 ± 2 K |
| Ambient diffraction temperature | 277 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 142 |
| Hermann-Mauguin space group symbol | I 41/a c d |
| Hall space group symbol | -I 4bd 2c |
| Residual factor for all reflections | 0.0962 |
| Residual factor for significantly intense reflections | 0.0808 |
| Weighted residual factors for significantly intense reflections | 0.2849 |
| Weighted residual factors for all reflections included in the refinement | 0.3057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.154 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 208117 (current) | 2018-06-05 | cif/ Adding structures of 7046540, 7046541, 7046542, 7046543, 7046544 via cif-deposit CGI script. |
7046542.cif |
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Users of the data should acknowledge the original authors of the
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