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Information card for entry 2229525
Preview
| Coordinates | 2229525.cif |
|---|---|
| Structure factors | 2229525.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | {6,6'-Dimethoxy-2,2'-[ethane-1,2- diylbis(nitrilomethanylylidene)]diphenolato}nickel(II) dimethylformamide monosolvate |
|---|---|
| Formula | C21 H25 N3 Ni O5 |
| Calculated formula | C21 H25 N3 Ni O5 |
| SMILES | [Ni]123Oc4c(OC)cccc4C=[N]2CC[N]3=Cc2cccc(c2O1)OC.O=CN(C)C |
| Title of publication | {6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}nickel(II) dimethylformamide monosolvate |
| Authors of publication | Ayikoé, Kouassi; Butcher, Ray J.; Gultneh, Yilma |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 3 |
| Pages of publication | m328 |
| a | 6.8601 ± 0.0001 Å |
| b | 15.3432 ± 0.0003 Å |
| c | 18.9065 ± 0.0004 Å |
| α | 90° |
| β | 91.676 ± 0.002° |
| γ | 90° |
| Cell volume | 1989.17 ± 0.06 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 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 | 0.0442 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.1121 |
| Weighted residual factors for all reflections included in the refinement | 0.1137 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301805 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/22 Each referenced PubChem compound corresponds to the full crystal structure. |
2229525.cif 2229525.hkl |
| 181216 | 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 2/22/95. |
2229525.cif 2229525.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. |
2229525.cif 2229525.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229525.cif 2229525.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. | 2229525.cif 2229525.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229525.cif 2229525.hkl |
| 17966 | 2011-04-13 | hkl/: adding the rest of Fobs files for the recent IUCr deposit. | 2229525.cif 2229525.hkl |
| 17588 | 2011-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2229525 via cif-deposit CGI script. |
2229525.cif |
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Users of the data should acknowledge the original authors of the
structural data.