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Information card for entry 2019716
Preview
| Coordinates | 2019716.cif |
|---|---|
| Structure factors | 2019716.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[diaqua(μ~4~-4,4'-oxydibenzoato)(μ~2~-4,4'-oxydibenzoato)dilead(II)] |
|---|---|
| Formula | C14 H10 O6 Pb |
| Calculated formula | C14 H10 O6 Pb |
| SMILES | [Pb+2].[O-]C(=O)c2ccc(cc2)Oc2ccc(cc2)C(=O)[O-].O |
| Title of publication | A two-dimensional coordination polymer: poly[diaqua(μ~4~-4,4'-oxydibenzoato)(μ~2~-4,4'-oxydibenzoato)dilead(II)] |
| Authors of publication | Xu, Xiao-Juan |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 12 |
| a | 28.848 ± 0.002 Å |
| b | 7.6951 ± 0.0006 Å |
| c | 11.5552 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2565.1 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.039 |
| Residual factor for significantly intense reflections | 0.0289 |
| Weighted residual factors for significantly intense reflections | 0.0649 |
| Weighted residual factors for all reflections included in the refinement | 0.0689 |
| 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 | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181867 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/97. |
2019716.cif 2019716.hkl |
| 180865 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/97. |
2019716.cif 2019716.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019716.cif 2019716.hkl |
| 126567 | 2014-11-07 | cif/ hkl/ Adding structures of 2019716 via cif-deposit CGI script. |
2019716.cif 2019716.hkl |
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Users of the data should acknowledge the original authors of the
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