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Information card for entry 2235640
Preview
| Coordinates | 2235640.cif |
|---|---|
| Structure factors | 2235640.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis(dimethylformamide-κ<i>O</i>){4,4',6,6'-tetrachloro-2,2-[butane-1,4-diyl(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II) |
|---|---|
| Formula | C24 H28 Cl4 N4 Ni O4 |
| Calculated formula | C24 H28 Cl4 N4 Ni O4 |
| SMILES | [Ni]123(Oc4c(Cl)cc(Cl)cc4C=[N]2CCCC[N]3=Cc2cc(Cl)cc(Cl)c2O1)([O]=CN(C)C)[O]=CN(C)C |
| Title of publication | Bis(dimethylformamide-κ<i>O</i>){4,4',6,6'-tetrachloro-2,2-[butane-1,4-diyl(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II) |
| Authors of publication | Kargar, Hadi; Kia, Reza; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 7 |
| Pages of publication | m997 - m998 |
| a | 9.7392 ± 0.0011 Å |
| b | 19.165 ± 0.002 Å |
| c | 15.0197 ± 0.0014 Å |
| α | 90° |
| β | 93.236 ± 0.003° |
| γ | 90° |
| Cell volume | 2799 ± 0.5 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.082 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.1043 |
| Weighted residual factors for all reflections included in the refinement | 0.1232 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2235640.cif 2235640.hkl |
| 181278 | 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 2/23/56. |
2235640.cif 2235640.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. |
2235640.cif 2235640.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2235640.cif 2235640.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235640.cif 2235640.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. | 2235640.cif 2235640.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235640.cif 2235640.hkl |
| 64113 | 2012-08-11 | cif/ Adding structures of 2235640 via cif-deposit CGI script. |
2235640.cif |
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Users of the data should acknowledge the original authors of the
structural data.