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Information card for entry 7242790
Preview
| Coordinates | 7242790.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H154 Mo12 N8 O36 |
|---|---|
| Calculated formula | C74 H154 Mo12 N8 O36 |
| Title of publication | Optical, Third Order Non-Linear Optical and Electrochemical Properties of Dipolar, Centrosymmetric and C2v Organoimido Polyoxometalate Derivatives |
| Authors of publication | Al-Yasari, Ahmed; El Moll, Hani; Purdy, Ryan; Vincent, Kevin B.; Spence, Philip; Malval, Jean-Pierre; Fielden, John |
| Journal of publication | Physical Chemistry Chemical Physics |
| Year of publication | 2021 |
| a | 11.5075 ± 0.0004 Å |
| b | 12.0506 ± 0.0006 Å |
| c | 19.3113 ± 0.001 Å |
| α | 76.208 ± 0.005° |
| β | 84.833 ± 0.004° |
| γ | 85.902 ± 0.003° |
| Cell volume | 2586.7 ± 0.2 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140.1 ± 0.8 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 | 0.2043 |
| Residual factor for significantly intense reflections | 0.0877 |
| Weighted residual factors for significantly intense reflections | 0.1432 |
| Weighted residual factors for all reflections included in the refinement | 0.1956 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.966 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265053 (current) | 2021-05-08 | cif/ Adding structures of 7242790 via cif-deposit CGI script. |
7242790.cif |
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Users of the data should acknowledge the original authors of the
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