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Information card for entry 7228450
Preview
| Coordinates | 7228450.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H18 Ba O6 P2 |
|---|---|
| Calculated formula | C12 H18 Ba O6 P2 |
| 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 | 26.457 ± 0.005 Å |
| b | 6.0072 ± 0.0012 Å |
| c | 21.021 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3340.9 ± 1.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 63 |
| Hermann-Mauguin space group symbol | C m c m |
| Hall space group symbol | -C 2c 2 |
| Residual factor for all reflections | 0.0827 |
| Residual factor for significantly intense reflections | 0.0685 |
| Weighted residual factors for significantly intense reflections | 0.1587 |
| Weighted residual factors for all reflections included in the refinement | 0.1663 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| 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. |
7228450.cif |
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Users of the data should acknowledge the original authors of the
structural data.