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Information card for entry 2231356
Preview
| Coordinates | 2231356.cif |
|---|---|
| Structure factors | 2231356.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[bis(4-ethylbenzoato-κ^2^<i>O</i>,<i>O</i>')lead(II)]- μ-nicotinamide-κ^2^<i>N</i>^1^:<i>O</i>] monohydrate] |
|---|---|
| Formula | C24 H26 N2 O6 Pb |
| Calculated formula | C24 H26 N2 O6 Pb |
| SMILES | [Pb]12(OC(=[O]1)c1ccc(cc1)CC)(OC(=[O]2)c1ccc(cc1)CC)[O]=C(N)c1c[n](ccc1)[Pb]12(OC(=[O]1)c1ccc(cc1)CC)(OC(=[O]2)c1ccc(cc1)CC)[O]=C(N)c1cnccc1.O.O |
| Title of publication | <i>catena</i>-Poly[[[bis(4-ethylbenzoato-κ^2^<i>O</i>,<i>O</i>')lead(II)]-μ-nicotinamide-κ^2^<i>N</i>^1^:<i>O</i>] monohydrate] |
| Authors of publication | Hökelek, Tuncer; Tercan, Barış; Şahin, Ertan; Aktaş, Vedat; Necefoğlu, Hacali |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | m1057 - m1058 |
| a | 7.8093 ± 0.0002 Å |
| b | 9.795 ± 0.0003 Å |
| c | 16.938 ± 0.0005 Å |
| α | 90.772 ± 0.002° |
| β | 91.256 ± 0.002° |
| γ | 106.916 ± 0.004° |
| Cell volume | 1239 ± 0.07 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 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 | 0.0558 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.0878 |
| Weighted residual factors for all reflections included in the refinement | 0.099 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181235 (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 2/23/13. |
2231356.cif 2231356.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. |
2231356.cif 2231356.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231356.cif 2231356.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. | 2231356.cif 2231356.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2231356.cif 2231356.hkl |
| 27273 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2231356 via cif-deposit CGI script. |
2231356.cif |
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Users of the data should acknowledge the original authors of the
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