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Information card for entry 2231574
Preview
| Coordinates | 2231574.cif |
|---|---|
| Structure factors | 2231574.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{2-[(2-hydroxy-2-methylpropyl)iminomethyl]-4-nitrophenolato}nickel(II) dimethylformamide monosolvate |
|---|---|
| Formula | C25 H33 N5 Ni O9 |
| Calculated formula | C25 H33 N5 Ni O9 |
| SMILES | [Ni]1234(Oc5ccc(N(=O)=O)cc5C=[N]3C(C)(C)C[OH]1)Oc1ccc(N(=O)=O)cc1C=[N]4C(C)(C)C[OH]2.O=CN(C)C |
| Title of publication | Bis{2-[(2-hydroxy-2-methylpropyl)iminomethyl]-4-nitrophenolato}nickel(II) dimethylformamide monosolvate |
| Authors of publication | Ayikoé, Kouassi; Gultneh, Yilma; Butcher, Ray J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | m1211 |
| a | 11.42279 ± 0.00016 Å |
| b | 11.42936 ± 0.00018 Å |
| c | 21.4903 ± 0.0003 Å |
| α | 90° |
| β | 99.112 ± 0.0014° |
| γ | 90° |
| Cell volume | 2770.26 ± 0.07 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.0685 |
| Residual factor for significantly intense reflections | 0.0549 |
| Weighted residual factors for significantly intense reflections | 0.1618 |
| Weighted residual factors for all reflections included in the refinement | 0.1741 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181237 (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 2/23/15. |
2231574.cif 2231574.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. |
2231574.cif 2231574.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231574.cif 2231574.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. | 2231574.cif 2231574.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2231574.cif 2231574.hkl |
| 27703 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2231574 via cif-deposit CGI script. |
2231574.cif |
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Users of the data should acknowledge the original authors of the
structural data.