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Information card for entry 7250313
Preview
| Coordinates | 7250313.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H38 N10 S4 |
|---|---|
| Calculated formula | C46 H38 N10 S4 |
| Title of publication | Diverse tetracyanodihydrodipyradinopyradine clathrate crystals assembled from weak intermolecular interactions |
| Authors of publication | Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 10.4879 ± 0.0005 Å |
| b | 10.8573 ± 0.0005 Å |
| c | 11.2117 ± 0.0005 Å |
| α | 68.012 ± 0.004° |
| β | 68.117 ± 0.004° |
| γ | 86.081 ± 0.004° |
| Cell volume | 1094.75 ± 0.1 Å3 |
| Cell temperature | 143.15 K |
| Ambient diffraction temperature | 143.15 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1227 |
| Residual factor for significantly intense reflections | 0.0997 |
| Weighted residual factors for significantly intense reflections | 0.2861 |
| Weighted residual factors for all reflections included in the refinement | 0.314 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299375 (current) | 2025-04-24 | cif/ Adding structures of 7250300, 7250301, 7250302, 7250303, 7250304, 7250305, 7250306, 7250307, 7250308, 7250309, 7250310, 7250311, 7250312, 7250313, 7250314, 7250315, 7250316 via cif-deposit CGI script. |
7250313.cif |
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Users of the data should acknowledge the original authors of the
structural data.