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Information card for entry 2238530
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| Coordinates | 2238530.cif |
|---|---|
| Structure factors | 2238530.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[{μ-<i>N</i>'-[2-(carboxylatomethoxy)benzylidene]-2-hydroxybenzohydrazidato}(methanol-κ<i>O</i>)nickel(II)] |
|---|---|
| Formula | C17 H16 N2 Ni O6 |
| Calculated formula | C17 H16 N2 Ni O6 |
| SMILES | [Ni]123([N](=Cc4ccccc4[O]2CC(=O)O1)N=C(c1ccccc1O)O3)([OH]C)[O]=C1C[O]2[Ni]3([N](=Cc4ccccc24)N=C(c2ccccc2O)O3)(O1)[OH]C |
| Title of publication | <i>catena</i>-Poly[{μ-<i>N</i>'-[2-(carboxylatomethoxy)benzylidene]-2-hydroxybenzohydrazidato}(methanol-κ<i>O</i>)nickel(II)] |
| Authors of publication | Luo, Feihua; Du, Huirong; Yang, Li; Zhang, Ping |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 9 |
| Pages of publication | m523 |
| a | 10.0877 ± 0.0014 Å |
| b | 8.1922 ± 0.001 Å |
| c | 20.57 ± 0.002 Å |
| α | 90° |
| β | 102.589 ± 0.008° |
| γ | 90° |
| Cell volume | 1659 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0336 |
| Residual factor for significantly intense reflections | 0.0293 |
| Weighted residual factors for significantly intense reflections | 0.0693 |
| Weighted residual factors for all reflections included in the refinement | 0.073 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181307 (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 2/23/85. |
2238530.cif 2238530.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. |
2238530.cif 2238530.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238530.cif 2238530.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238530.cif 2238530.hkl |
| 88669 | 2013-10-02 | cif/ Adding structures of 2238530 via cif-deposit CGI script. |
2238530.cif |
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Users of the data should acknowledge the original authors of the
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