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Information card for entry 2233244
Preview
| Coordinates | 2233244.cif |
|---|---|
| Structure factors | 2233244.hkl |
| Original IUCr paper | HTML |
| Formula | C34 H36 Cl2 Fe N4 |
|---|---|
| Calculated formula | C34 H36 Cl2 Fe N4 |
| SMILES | [Fe]1(Cl)(Cl)[N]([C@H]2[C@H]([N]1=Cc1c(N(c3ccccc3)C)cccc1)CCCC2)=Cc1c(N(c2ccccc2)C)cccc1 |
| Title of publication | {(1<i>R</i>,2<i>R</i>)-<i>N</i>,<i>N</i>'-Bis[2-(<i>N</i>-methylanilino)benzylidene]cyclohexane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>'}dichloridoiron(II) |
| Authors of publication | Zhang, Yanyu; Wu, Qiaolin; Mu, Ying |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | m64 |
| a | 13.04 ± 0.003 Å |
| b | 13.228 ± 0.003 Å |
| c | 20.602 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3553.7 ± 1.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0489 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0881 |
| Weighted residual factors for all reflections included in the refinement | 0.0925 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181254 (current) | 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 2/23/32. |
2233244.cif 2233244.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. |
2233244.cif 2233244.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233244.cif 2233244.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. | 2233244.cif 2233244.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233244.cif 2233244.hkl |
| 32305 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233244 via cif-deposit CGI script. |
2233244.cif |
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Users of the data should acknowledge the original authors of the
structural data.