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Information card for entry 2230573
Preview
| Coordinates | 2230573.cif |
|---|---|
| Structure factors | 2230573.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis[4-bromo-2-(ethyliminomethyl)phenolato-κ^2^<i>N</i>,<i>O</i>]nickel(II) |
|---|---|
| Formula | C18 H18 Br2 N2 Ni O2 |
| Calculated formula | C18 H18 Br2 N2 Ni O2 |
| SMILES | c12c(cc(cc1)Br)C=[N](CC)[Ni]1(O2)[N](=Cc2c(ccc(c2)Br)O1)CC |
| Title of publication | Bis[4-bromo-2-(ethyliminomethyl)phenolato-κ^2^<i>N</i>,<i>O</i>]nickel(II) |
| Authors of publication | Chen, Fu Li; Zhang, Shu Hua; Guo, Jing Jing; Zhang, Yi Dong; Feng, Chao |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 7 |
| Pages of publication | m858 |
| a | 13.456 ± 0.006 Å |
| b | 4.803 ± 0.002 Å |
| c | 14.743 ± 0.006 Å |
| α | 90° |
| β | 102.157 ± 0.008° |
| γ | 90° |
| Cell volume | 931.5 ± 0.7 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0857 |
| Residual factor for significantly intense reflections | 0.0567 |
| Weighted residual factors for significantly intense reflections | 0.1343 |
| Weighted residual factors for all reflections included in the refinement | 0.1416 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| 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. |
2230573.cif 2230573.hkl |
| 181227 | 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 2/23/05. |
2230573.cif 2230573.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. |
2230573.cif 2230573.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230573.cif 2230573.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. | 2230573.cif 2230573.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230573.cif 2230573.hkl |
| 23417 | 2011-08-08 | hkl/ Adding Fobs data for the recently deposited coordinates from IUCr. |
2230573.cif 2230573.hkl |
| 22873 | 2011-08-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230573 via cif-deposit CGI script. |
2230573.cif |
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Users of the data should acknowledge the original authors of the
structural data.