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Information card for entry 1549530
Preview
| Coordinates | 1549530.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H4 Ba2 O9 |
|---|---|
| Calculated formula | C10 H4 Ba2 O9 |
| SMILES | [Ba+2].[O-]C(=O)c1c(cc(C(=O)[O-])c(C(=O)[O-])c1)C(=O)[O-].[Ba+2].O |
| Title of publication | M2(H2O)[μ10-C6H2(COO)4] (M= Ba2+, Pb2+) - Two Isotypic Three-Dimensional Coordination Polymers with a Layer-like Separation between Anions and Cations |
| Authors of publication | Köferstein, Roberto; Robl, Christian |
| Journal of publication | Zeitschrift für anorganische und allgemeine Chemie |
| Year of publication | 2015 |
| Journal volume | 641 |
| Journal issue | 6 |
| Pages of publication | 1150 |
| a | 7.8089 ± 0.0004 Å |
| b | 17.5619 ± 0.0008 Å |
| c | 9.148 ± 0.0005 Å |
| α | 90° |
| β | 114.512 ± 0.005° |
| γ | 90° |
| Cell volume | 1141.48 ± 0.11 Å3 |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.023 |
| Residual factor for significantly intense reflections | 0.02 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 208271 (current) | 2018-06-12 | cif/ Adding structures of 1549530 via cif-deposit CGI script. |
1549530.cif |
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Users of the data should acknowledge the original authors of the
structural data.