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Information card for entry 2234049
Preview
| Coordinates | 2234049.cif |
|---|---|
| Structure factors | 2234049.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[(μ-3-hydroxybenzoato- κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^)(μ-3-hydroxybenzoato- κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^)(isonicotinamide- κ<i>N</i>^1^)lead(II)] monohydrate] |
|---|---|
| Formula | C20 H18 N2 O8 Pb |
| Calculated formula | C20 H18 N2 O8 Pb |
| SMILES | C(=O)(c1cc(ccc1)O)O[Pb]([n]1ccc(cc1)C(=O)N)OC(=O)c1cc(O)ccc1.O |
| Title of publication | <i>catena</i>-Poly[[(μ-3-hydroxybenzoato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^)(μ-3-hydroxybenzoato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^)(isonicotinamide-κ<i>N</i>^1^)lead(II)] monohydrate] |
| Authors of publication | Zaman, Ibrahim Göker; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | m257 - m258 |
| a | 7.3626 ± 0.0002 Å |
| b | 12.1382 ± 0.0003 Å |
| c | 12.1789 ± 0.0003 Å |
| α | 67.165 ± 0.002° |
| β | 74.192 ± 0.003° |
| γ | 88.921 ± 0.003° |
| Cell volume | 960.53 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0179 |
| Residual factor for significantly intense reflections | 0.017 |
| Weighted residual factors for significantly intense reflections | 0.0497 |
| Weighted residual factors for all reflections included in the refinement | 0.05 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.185 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181262 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/40. |
2234049.cif 2234049.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2234049.cif 2234049.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234049.cif 2234049.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2234049.cif 2234049.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234049.cif 2234049.hkl |
| 51315 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2234049 via cif-deposit CGI script. |
2234049.cif |
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Users of the data should acknowledge the original authors of the
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