Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1569098
Preview
| Coordinates | 1569098.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | MR-619 |
|---|---|
| Formula | C64 H122 N12 O P2 S4 Si2 |
| Calculated formula | C60 H112 N12 P2 S4 Si2 |
| a | 24.8922 ± 0.0006 Å |
| b | 14.1605 ± 0.0005 Å |
| c | 22.8124 ± 0.0005 Å |
| α | 90° |
| β | 95.215 ± 0.002° |
| γ | 90° |
| Cell volume | 8007.8 ± 0.4 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1283 |
| Residual factor for significantly intense reflections | 0.0982 |
| Weighted residual factors for significantly intense reflections | 0.2541 |
| Weighted residual factors for all reflections included in the refinement | 0.2701 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283668 (current) | 2023-05-11 | cif/ Adding structures of 1569096, 1569097, 1569098, 1569099, 1569100, 1569101 via cif-deposit CGI script. |
1569098.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.