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Information card for entry 2231756
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| Coordinates | 2231756.cif |
|---|---|
| Structure factors | 2231756.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(μ~2~-pyridine-2-carboxamide oximato)bis[(pyridine-2-carboxamide oxime)zinc] dinitrate |
|---|---|
| Formula | C24 H26 N14 O10 Zn2 |
| Calculated formula | C24 H26 N14 O10 Zn2 |
| SMILES | c1cccc2C(N)=[N]([Zn]34([n]12)[n]1ccccc1C(N)=[N]3O[Zn]12([n]3ccccc3C(N)=[N]1O)[n]1ccccc1C(N)=[N]2O4)O.N(=O)(=O)[O-].N(=O)(=O)[O-] |
| Title of publication | Bis(μ~2~-pyridine-2-carboxamide oximato)bis[(pyridine-2-carboxamide oxime)zinc] dinitrate |
| Authors of publication | Deng, Xiao-Hui; Ran, Jing-Wen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | m1323 - m1324 |
| a | 7.4125 ± 0.0014 Å |
| b | 22.201 ± 0.004 Å |
| c | 9.4225 ± 0.0017 Å |
| α | 90° |
| β | 106.794 ± 0.002° |
| γ | 90° |
| Cell volume | 1484.5 ± 0.5 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0529 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.1114 |
| Weighted residual factors for all reflections included in the refinement | 0.1165 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181239 (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 2/23/17. |
2231756.cif 2231756.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. |
2231756.cif 2231756.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231756.cif 2231756.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. | 2231756.cif 2231756.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2231756.cif 2231756.hkl |
| 27895 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2231756 via cif-deposit CGI script. |
2231756.cif |
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Users of the data should acknowledge the original authors of the
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