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Information card for entry 2230296
Preview
| Coordinates | 2230296.cif |
|---|---|
| Structure factors | 2230296.hkl |
| Original IUCr paper | HTML |
| Chemical name | Chlorido(2-iminomethyl-3-fluorophenyl- κ^2^<i>C</i>^1^,<i>N</i>)tris(trimethylphosphane-κ<i>P</i>)iron |
|---|---|
| Formula | C16 H32 Cl F Fe N P3 |
| Calculated formula | C16 H32 Cl F Fe N P3 |
| SMILES | [Fe]1([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)(c2c(c(ccc2)F)C=[NH]1)Cl |
| Title of publication | Chlorido(2-iminomethyl-3-fluorophenyl-κ^2^<i>C</i>^1^,<i>N</i>)tris(trimethylphosphane-κ<i>P</i>)iron |
| Authors of publication | Xu, Xiaofeng; Li, Xiaoyan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | m679 |
| a | 8.9879 ± 0.0006 Å |
| b | 19.4457 ± 0.0013 Å |
| c | 13.5438 ± 0.0007 Å |
| α | 90° |
| β | 114.937 ± 0.003° |
| γ | 90° |
| Cell volume | 2146.4 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0364 |
| Residual factor for significantly intense reflections | 0.0286 |
| Weighted residual factors for significantly intense reflections | 0.0669 |
| Weighted residual factors for all reflections included in the refinement | 0.0709 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181224 (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 2/23/02. |
2230296.cif 2230296.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2230296.cif 2230296.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230296.cif 2230296.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. | 2230296.cif 2230296.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230296.cif 2230296.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230296.cif 2230296.hkl |
| 22269 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230296 via cif-deposit CGI script. |
2230296.cif |
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Users of the data should acknowledge the original authors of the
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