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Information card for entry 1561719
Preview
| Coordinates | 1561719.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H15 Ba N O7 S |
|---|---|
| Calculated formula | C17 H15 Ba N O7 S |
| Title of publication | Crystal growth, differential gas adsorption, high thermal stability, and reversible coordination of two new barium-organic frameworks, Ba(SBA)(DMF)4 and Ba2(BTEC)(H2O) |
| Authors of publication | Halake, Shobha; Ok, Kang Min |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2015 |
| Journal volume | 231 |
| Pages of publication | 132 - 137 |
| a | 14.0652 ± 0.0004 Å |
| b | 5.8601 ± 0.0002 Å |
| c | 21.268 ± 0.0006 Å |
| α | 90° |
| β | 95.213 ± 0.002° |
| γ | 90° |
| Cell volume | 1745.73 ± 0.09 Å3 |
| Cell temperature | 173 ± 0.2 K |
| Ambient diffraction temperature | 173 ± 0.2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1378 |
| Residual factor for significantly intense reflections | 0.0518 |
| Weighted residual factors for significantly intense reflections | 0.1059 |
| Weighted residual factors for all reflections included in the refinement | 0.1565 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.822 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264124 (current) | 2021-04-14 | cif/ Adding structures of 1561719, 1561720 via cif-deposit CGI script. |
1561719.cif |
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