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Information card for entry 2241256
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| Coordinates | 2241256.cif |
|---|---|
| Structure factors | 2241256.hkl |
| Original IUCr paper | HTML |
| Common name | Nickel(II) Polymer |
|---|---|
| Chemical name | <i>catena</i>-Poly[[[triaqua(4-cyanobenzoato-κ<i>O</i>)nickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 4-cyanobenzoate] |
| Formula | C26 H22 N4 Ni O7 |
| Calculated formula | C26 H22 N4 Ni O7 |
| SMILES | [Ni]([n]1ccc(cc1)c1cc[n](cc1)[Ni]([OH2])([OH2])([OH2])([n]1ccc(cc1)c1ccncc1)OC(=O)c1ccc(C#N)cc1)([OH2])(OC(=O)c1ccc(C#N)cc1)([OH2])[OH2].c1(ccc(C(=O)[O-])cc1)C#N.c1(ccc(C(=O)[O-])cc1)C#N |
| Title of publication | Crystal structure of <i>catena</i>-poly[[[triaqua(4-cyanobenzoato-κ<i>O</i>)nickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 4-cyanobenzoate] |
| Authors of publication | Morales-Tapia, Alfredo A.; Colorado-Peralta, Raúl; Duarte-Hernández, Angélica M.; Flores-Parra, Angelina; Rivera, José María |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 11 |
| Pages of publication | m197 - m198 |
| a | 7.176 ± 0.005 Å |
| b | 21.373 ± 0.009 Å |
| c | 17.032 ± 0.009 Å |
| α | 90° |
| β | 110.32 ± 0.03° |
| γ | 90° |
| Cell volume | 2450 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.2005 |
| Residual factor for significantly intense reflections | 0.0623 |
| Weighted residual factors for significantly intense reflections | 0.0952 |
| Weighted residual factors for all reflections included in the refinement | 0.1258 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.966 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181913 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12. |
2241256.cif 2241256.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2241256.cif 2241256.hkl |
| 169846 | 2015-10-29 | cif/ hkl/ Adding structures of 2241256 via cif-deposit CGI script. |
2241256.cif 2241256.hkl |
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Users of the data should acknowledge the original authors of the
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