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Information card for entry 2233435
Preview
| Coordinates | 2233435.cif |
|---|---|
| Structure factors | 2233435.hkl |
| Original IUCr paper | HTML |
| Chemical name | {2,6-Bis[(2,4,5-trifluorophenyl)iminomethyl]pyridine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}dichloridonickel(II) |
|---|---|
| Formula | C19 H9 Cl2 F6 N3 Ni |
| Calculated formula | C19 H9 Cl2 F6 N3 Ni |
| SMILES | c12cccc3[n]2[Ni]([N](=C1)c1c(cc(c(c1)F)F)F)(Cl)([N](=C3)c1c(cc(F)c(F)c1)F)Cl |
| Title of publication | A second monoclinic polymorph of {2,6-bis[(2,4,5-trifluorophenyl)iminomethyl]pyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}dichloridonickel(II) |
| Authors of publication | Baldovino-Pantaleón, Oscar; Hernández-Ortega, Simón; Reyes-Martínez, Reyna; Morales-Morales, David |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 2 |
| Pages of publication | m134 |
| a | 18.0947 ± 0.0013 Å |
| b | 8.8967 ± 0.0006 Å |
| c | 12.1638 ± 0.0009 Å |
| α | 90° |
| β | 101.421 ± 0.002° |
| γ | 90° |
| Cell volume | 1919.4 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0292 |
| Residual factor for significantly intense reflections | 0.0245 |
| Weighted residual factors for significantly intense reflections | 0.057 |
| Weighted residual factors for all reflections included in the refinement | 0.0579 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.956 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181256 (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 2/23/34. |
2233435.cif 2233435.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. |
2233435.cif 2233435.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233435.cif 2233435.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. | 2233435.cif 2233435.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233435.cif 2233435.hkl |
| 38228 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2233435 via cif-deposit CGI script. |
2233435.cif |
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Users of the data should acknowledge the original authors of the
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