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Information card for entry 2232391
Preview
| Coordinates | 2232391.cif |
|---|---|
| Structure factors | 2232391.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis[2,4-dichloro-6-(ethyliminomethyl)phenolato-κ^2^<i>N</i>,<i>O</i>]nickel(II) |
|---|---|
| Formula | C18 H16 Cl4 N2 Ni O2 |
| Calculated formula | C18 H16 Cl4 N2 Ni O2 |
| SMILES | c12c(cc(Cl)cc2C=[N](CC)[Ni]2(O1)[N](=Cc1c(c(cc(c1)Cl)Cl)O2)CC)Cl |
| Title of publication | Bis[2,4-dichloro-6-(ethyliminomethyl)phenolato-κ^2^<i>N</i>,<i>O</i>]nickel(II) |
| Authors of publication | Huang, Qiu Ping; Zhang, Shu Hua; Guo, Jing Jing; Feng, Chao; Tang, Fu Shun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1611 |
| a | 7.5004 ± 0.0006 Å |
| b | 9.3155 ± 0.0007 Å |
| c | 14.1498 ± 0.0012 Å |
| α | 90° |
| β | 103.841 ± 0.001° |
| γ | 90° |
| Cell volume | 959.94 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0457 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0516 |
| Weighted residual factors for all reflections included in the refinement | 0.0547 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
| 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. |
2232391.cif 2232391.hkl |
| 181245 | 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 2/23/23. |
2232391.cif 2232391.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. |
2232391.cif 2232391.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232391.cif 2232391.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. | 2232391.cif 2232391.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232391.cif 2232391.hkl |
| 31048 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232391 via cif-deposit CGI script. |
2232391.cif |
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Users of the data should acknowledge the original authors of the
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