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Information card for entry 1575687
Preview
| Coordinates | 1575687.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49.93 H41.77 Cu D17.8 F6 O6 P3 S3.97 |
|---|---|
| Calculated formula | C47.9264 H35.773 Cu D17.8032 F6 O4.9992 P3 S2.9672 |
| a | 13.1992 ± 0.0008 Å |
| b | 13.8549 ± 0.0009 Å |
| c | 15.7166 ± 0.0009 Å |
| α | 77.997 ± 0.002° |
| β | 88.205 ± 0.002° |
| γ | 70.621 ± 0.002° |
| Cell volume | 2649.8 ± 0.3 Å3 |
| Cell temperature | 101 K |
| Ambient diffraction temperature | 101 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0614 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.125 |
| Weighted residual factors for all reflections included in the refinement | 0.1344 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302099 (current) | 2025-09-11 | cif/ Adding structures of 1575687, 1575688, 1575689 via cif-deposit CGI script. |
1575687.cif |
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Users of the data should acknowledge the original authors of the
structural data.