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Information card for entry 2239377
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| Coordinates | 2239377.cif |
|---|---|
| Structure factors | 2239377.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | [<i>N</i>,<i>N</i>'-Bis(2,6-diethyl-4-phenylphenyl)butane-2,3-diimine-κ^2^<i>N</i>,<i>N</i>']dibromidonickel(II) |
|---|---|
| Formula | C36 H40 Br2 N2 Ni |
| Calculated formula | C36 H40 Br2 N2 Ni |
| SMILES | c1(c(cc(cc1CC)c1ccccc1)CC)[N]1[Ni](Br)(Br)[N](c2c(cc(cc2CC)c2ccccc2)CC)=C(C=1C)C |
| Title of publication | [<i>N</i>,<i>N</i>'-Bis(2,6-diethyl-4-phenylphenyl)butane-2,3-diimine-κ^2^<i>N</i>,<i>N</i>']dibromidonickel(II) |
| Authors of publication | Yuan, Jianchao; Xia, Jingjing; Xu, Weibing; Mu, Yanqiong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | m102 |
| a | 15.6587 ± 0.0005 Å |
| b | 6.9359 ± 0.0003 Å |
| c | 30.1928 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3279.2 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n a m |
| Hall space group symbol | -P 2c 2n |
| Residual factor for all reflections | 0.0736 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.0853 |
| Weighted residual factors for all reflections included in the refinement | 0.096 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181893 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/93. |
2239377.cif 2239377.hkl |
| 181312 | 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 2/23/93. |
2239377.cif 2239377.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. |
2239377.cif 2239377.hkl |
| 110660 | 2014-04-19 | cif/ hkl/ Adding structures of 2239377 via cif-deposit CGI script. |
2239377.cif 2239377.hkl |
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