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Information card for entry 7207581
Preview
| Coordinates | 7207581.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H23 Ba O13.5 S |
|---|---|
| Calculated formula | C14 H23 Ba O13.5 S |
| Title of publication | Guest-induced expanding and shrinking porous modulation based on interdigitated metal–organic frameworks constructed by 4,4′-sulfonyldibenzoate and barium ions |
| Authors of publication | Xiao, Dongrong; Chen, Haiyan; Sun, Dianzhen; He, Jianghong; Yan, Shiwei; Yang, Juan; Wang, Xin; Yuan, Ruo; Wang, Enbo |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 8 |
| Pages of publication | 2849 |
| a | 6.317 ± 0.002 Å |
| b | 14.13 ± 0.005 Å |
| c | 14.147 ± 0.005 Å |
| α | 112.859 ± 0.004° |
| β | 91.748 ± 0.004° |
| γ | 91.742 ± 0.004° |
| Cell volume | 1161.8 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.058 |
| Residual factor for significantly intense reflections | 0.0549 |
| Weighted residual factors for significantly intense reflections | 0.1632 |
| Weighted residual factors for all reflections included in the refinement | 0.1675 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7207581.cif |
| 189142 | 2016-12-15 | cif/7/20/75/ (antanas@echidna.ibt.lt) Marking attached hydrogen atoms in entries 7207575, 7207577, 7207578, 7207580, 7207581. |
7207581.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7207581.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207581.cif |
| 52041 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 7207575, 7207576, 7207577, 7207578, 7207579, 7207580, 7207581 via cif-deposit CGI script. |
7207581.cif |
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Users of the data should acknowledge the original authors of the
structural data.