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Information card for entry 2228400
Preview
| Coordinates | 2228400.cif |
|---|---|
| Structure factors | 2228400.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diaquabis{2-hydroxy-5-[(pyridin-2-yl)methylideneamino]benzoato- κ^2^<i>N</i>,<i>N</i>'}nickel(II) dihydrate |
|---|---|
| Formula | C26 H26 N4 Ni O10 |
| Calculated formula | C26 H26 N4 Ni O10 |
| SMILES | c1(ccc(cc1C(=O)[O-])[N]1=Cc2[n](cccc2)[Ni]21([OH2])([N](c1ccc(c(C(=O)[O-])c1)O)=Cc1[n]2cccc1)[OH2])O.O.O |
| Title of publication | Diaquabis{2-hydroxy-5-[(pyridin-2-yl)methylideneamino]benzoato-κ^2^<i>N</i>,<i>N</i>'}nickel(II) dihydrate |
| Authors of publication | Zha, Meiqin; Li, Xing; Bing, Yue; Luo, Zhengbing |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1570 |
| a | 15.7628 ± 0.0006 Å |
| b | 10.5672 ± 0.0003 Å |
| c | 15.6178 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2601.44 ± 0.16 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0467 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.0712 |
| Weighted residual factors for all reflections included in the refinement | 0.0736 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.888 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181205 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/84. |
2228400.cif 2228400.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228400.cif 2228400.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228400.cif 2228400.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. | 2228400.cif 2228400.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228400.cif 2228400.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228400.cif 2228400.hkl |
| 5783 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228392, 2228393, 2228394, 2228395, 2228396, 2228397, 2228398, 2228399, 2228400, 2228401 via cif-deposit CGI script. |
2228400.cif |
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