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Information card for entry 1575689
Preview
| Coordinates | 1575689.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C94 H103.62 Cu2 Mo O13.81 P4 S5 |
|---|---|
| Calculated formula | C89 H88.618 Cu2 Mo O11.309 P4 S2.5 |
| a | 16.0253 ± 0.0014 Å |
| b | 17.1157 ± 0.0014 Å |
| c | 18.2784 ± 0.0015 Å |
| α | 87.912 ± 0.003° |
| β | 76.933 ± 0.003° |
| γ | 75.879 ± 0.003° |
| Cell volume | 4735.2 ± 0.7 Å3 |
| Cell temperature | 101 K |
| Ambient diffraction temperature | 101 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 | 0.1717 |
| Residual factor for significantly intense reflections | 0.111 |
| Weighted residual factors for significantly intense reflections | 0.2781 |
| Weighted residual factors for all reflections included in the refinement | 0.3127 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| 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. |
1575689.cif |
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Users of the data should acknowledge the original authors of the
structural data.