Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7228448
Preview
| Coordinates | 7228448.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H9 Ba O10 P3 |
|---|---|
| Calculated formula | C6 H9 Ba O10 P3 |
| Title of publication | Extracting structural trends from systematic variation of phosphonate/phosphonate monoester coordination polymers |
| Authors of publication | Gelfand, Benjamin S.; Taylor, Jared M.; Shimizu, George K. H. |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 8.461 ± 0.0017 Å |
| b | 8.506 ± 0.0017 Å |
| c | 9.302 ± 0.0019 Å |
| α | 98.71 ± 0.03° |
| β | 98.91 ± 0.03° |
| γ | 103.81 ± 0.03° |
| Cell volume | 629.8 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.0274 |
| Residual factor for significantly intense reflections | 0.0237 |
| Weighted residual factors for significantly intense reflections | 0.0525 |
| Weighted residual factors for all reflections included in the refinement | 0.0542 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197673 (current) | 2017-06-09 | cif/ Adding structures of 7228448, 7228449, 7228450 via cif-deposit CGI script. |
7228448.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.