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Information card for entry 7132150
Preview
| Coordinates | 7132150.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C2 Ba O5 |
|---|---|
| Calculated formula | C2 Ba O5 |
| Title of publication | Twisted [C<sub>2</sub>O<sub>5</sub>]<sup>2-</sup>-groups in Ba[C<sub>2</sub>O<sub>5</sub>] pyrocarbonate. |
| Authors of publication | Spahr, Dominik; Bayarjargal, Lkhamsuren; Haussühl, Eiken; Luchitskaia, Rita; Friedrich, Alexandra; Milman, Victor; Fedotenko, Timofey; Winkler, Björn |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2023 |
| a | 14.9484 ± 0.0007 Å |
| b | 14.9484 ± 0.0007 Å |
| c | 4.8464 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 937.86 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 175 |
| Hermann-Mauguin space group symbol | P 6/m |
| Hall space group symbol | -P 6 |
| Residual factor for all reflections | 0.0336 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0364 |
| Weighted residual factors for all reflections included in the refinement | 0.0364 |
| Goodness-of-fit parameter for significantly intense reflections | 2.28 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.28 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.2901 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286510 (current) | 2023-09-26 | cif/ Adding structures of 7132150, 7132151 via cif-deposit CGI script. |
7132150.cif |
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