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Information card for entry 3000297
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| Coordinates | 3000297.cif |
|---|
| Formula | C36 H39 Cu6 N30 O46 P W12 |
|---|---|
| Calculated formula | C36 H30 Cu6 N30 O46 P W12 |
| Title of publication | Highly Efficient Synthesis of p-Benzoquinones Catalyzed by Robust Two-Dimensional POM-Based Coordination Polymers |
| Authors of publication | Shenzhen Chang |
| Journal of publication | To be published in ACS Applied Materials & Interfaces |
| Year of publication | 2021 |
| Journal volume | 13 |
| Pages of publication | XXXX |
| a | 12.0101 ± 0.0011 Å |
| b | 12.3947 ± 0.0012 Å |
| c | 13.9307 ± 0.0013 Å |
| α | 99.945 ± 0.003° |
| β | 98.598 ± 0.003° |
| γ | 113.109 ± 0.003° |
| Cell volume | 1823.9 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.056 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.1061 |
| Weighted residual factors for all reflections included in the refinement | 0.1124 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.