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Information card for entry 1560451
Preview
| Coordinates | 1560451.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H46 Ba4 O19 P4 |
|---|---|
| Calculated formula | C30 H46 Ba4 O19 P4 |
| Title of publication | Intercalation of alcohols into barium phenylphosphonate: Influence of the number and position of functional groups in the guests on their arrangement in the intercalates |
| Authors of publication | Melánová, Klára; Beneš, Ludvík; Zima, Vítězslav; Svoboda, Jan; Růžička, Aleš |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2017 |
| Journal volume | 251 |
| Pages of publication | 211 - 216 |
| a | 21.928 ± 0.0018 Å |
| b | 9.1121 ± 0.0007 Å |
| c | 29.51 ± 0.002 Å |
| α | 90° |
| β | 131.273 ± 0.007° |
| γ | 90° |
| Cell volume | 4431.6 ± 0.8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 5 |
| 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 | 0.0952 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.12 |
| Weighted residual factors for all reflections included in the refinement | 0.1496 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262034 (current) | 2021-02-17 | cif/ Adding structures of 1560451 via cif-deposit CGI script. |
1560451.cif |
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