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Information card for entry 7207632
Preview
| Coordinates | 7207632.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | aqua-1,2-bis(4-pyridyl)ethene-dilead(II) tetrabutyrate |
|---|---|
| Chemical name | aqua-1,2-bis(4-pyridyl)ethene-dilead(II) tetrabutyrate |
| Formula | C28 H40 N2 O9 Pb2 |
| Calculated formula | C28 H38 N2 O9 Pb2 |
| SMILES | O=C(O[Pb](OC(=O)CCC)[n]1ccc(cc1)/C=C/c1cc[n](cc1)[Pb](OC(=O)CCC)OC(=O)CCC)CCC.O |
| Title of publication | Luminescent lead(ii) complexes: new three-dimensional mixed ligand MOFs |
| Authors of publication | Martínez Casado, Francisco Javier; Cañadillas-Delgado, Laura; Cucinotta, Fabio; Guerrero-Martínez, Andrés; Ramos Riesco, Miguel; Marchese, Leonardo; Rodríguez Cheda, José Antonio |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 8 |
| Pages of publication | 2660 |
| a | 18.479 ± 0.004 Å |
| b | 22.36 ± 0.005 Å |
| c | 8.248 ± 0.0016 Å |
| α | 90° |
| β | 100.64 ± 0.03° |
| γ | 90° |
| Cell volume | 3349.4 ± 1.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0325 |
| Residual factor for significantly intense reflections | 0.0309 |
| Weighted residual factors for significantly intense reflections | 0.0835 |
| Weighted residual factors for all reflections included in the refinement | 0.0851 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.7379 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180407 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/76. |
7207632.cif |
| 171772 | 2015-12-31 | cif/ (antanas@kurmis) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries. |
7207632.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207632.cif |
| 52052 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 7207631, 7207632, 7207633, 7207634 via cif-deposit CGI script. |
7207632.cif |
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