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Information card for entry 2233031
Preview
| Coordinates | 2233031.cif |
|---|---|
| Structure factors | 2233031.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[<i>N</i>-(pyridin-2-ylcarbonyl)pyridine-2-carboximidato- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']iron(III) tris(cyanido-κ<i>C</i>)[<i>N</i>-(pyridin-2-ylcarbonyl)pyridine-2- carboximidato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']ferrate(III) monohydrate |
|---|---|
| Formula | C39 H26 Fe2 N12 O7 |
| Calculated formula | C39 H26 Fe2 N12 O7 |
| Title of publication | Bis[<i>N</i>-(pyridin-2-ylcarbonyl)pyridine-2-carboximidato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']iron(III) tris(cyanido-κ<i>C</i>)[<i>N</i>-(pyridin-2-ylcarbonyl)pyridine-2-carboximidato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']ferrate(III) monohydrate |
| Authors of publication | Xiao, Yunyun; Shen, Xiaoping; Li, Yizhi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1734 |
| a | 9.6116 ± 0.0012 Å |
| b | 14.2025 ± 0.0013 Å |
| c | 15.1032 ± 0.0016 Å |
| α | 98.154 ± 0.002° |
| β | 99.645 ± 0.003° |
| γ | 104.558 ± 0.002° |
| Cell volume | 1930.4 ± 0.4 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0688 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.1267 |
| Weighted residual factors for all reflections included in the refinement | 0.1315 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181252 (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 2/23/30. |
2233031.cif 2233031.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. |
2233031.cif 2233031.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233031.cif 2233031.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. | 2233031.cif 2233031.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2233031.cif 2233031.hkl |
| 31925 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2233031 via cif-deposit CGI script. |
2233031.cif |
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Users of the data should acknowledge the original authors of the
structural data.