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Information card for entry 2227915
Preview
| Coordinates | 2227915.cif |
|---|---|
| Structure factors | 2227915.hkl |
| Original IUCr paper | HTML |
| Chemical name | Acetato(<i>N</i>-[(<i>E</i>)-1-(6-methyl-2-pyridyl)methylidene]-2-{2- [(<i>E</i>)-1-(6-methyl-2-pyridyl)methylideneamino]phenethyl}aniline)nickel(II) perchlorate |
|---|---|
| Formula | C30 H29 Cl N4 Ni O6 |
| Calculated formula | C30 H29 Cl N4 Ni O6 |
| SMILES | [Ni]1234([n]6c(C)cccc6C=[N]1c1ccccc1CCc1ccccc1[N]2=Cc1cccc(C)[n]31)[O]=C(O4)C.Cl(=O)(=O)(=O)[O-] |
| Title of publication | Acetato(<i>N</i>-[(<i>E</i>)-1-(6-methyl-2-pyridyl)methylidene]-2-{2-[(<i>E</i>)-1-(6-methyl-2-pyridyl)methylideneamino]phenethyl}aniline)nickel(II) perchlorate |
| Authors of publication | Sarkar, Shuranjan; Lee, Hajin; Lee, Hong-In |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 10 |
| Pages of publication | m1184 |
| a | 8.5759 ± 0.0008 Å |
| b | 11.4975 ± 0.001 Å |
| c | 14.8322 ± 0.0013 Å |
| α | 79.392 ± 0.002° |
| β | 78.102 ± 0.002° |
| γ | 81.327 ± 0.002° |
| Cell volume | 1396.9 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.15 |
| Residual factor for significantly intense reflections | 0.0682 |
| Weighted residual factors for significantly intense reflections | 0.0918 |
| Weighted residual factors for all reflections included in the refinement | 0.1487 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181200 (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 2/22/79. |
2227915.cif 2227915.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. |
2227915.cif 2227915.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227915.cif 2227915.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. | 2227915.cif 2227915.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227915.cif 2227915.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227915.cif 2227915.hkl |
| 4952 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227915 via cif-deposit CGI script. |
2227915.cif |
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Users of the data should acknowledge the original authors of the
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