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Information card for entry 7037129
Preview
| Coordinates | 7037129.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H14 Fe N O5 P W |
|---|---|
| Calculated formula | C18 H14 Fe N O5 P W |
| SMILES | [W]([PH]([c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)CCC#N)(C#[O])(C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | Hydrophosphination reactions with transition metal ferrocenylphosphine complexes. |
| Authors of publication | Pritzwald-Stegmann, Julian Rodger Frederic; Lönnecke, Peter; Hey-Hawkins, Evamarie |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 5 |
| Pages of publication | 2208 - 2217 |
| a | 6.0768 ± 0.0001 Å |
| b | 20.8259 ± 0.0003 Å |
| c | 15.3377 ± 0.0003 Å |
| α | 90° |
| β | 98.149 ± 0.002° |
| γ | 90° |
| Cell volume | 1921.46 ± 0.06 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.036 |
| Residual factor for significantly intense reflections | 0.0262 |
| Weighted residual factors for significantly intense reflections | 0.0483 |
| Weighted residual factors for all reflections included in the refinement | 0.0516 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7037129.cif |
| 176060 | 2016-02-05 | cif/ Updating files of 7037122, 7037123, 7037124, 7037125, 7037126, 7037127, 7037128, 7037129 Original log message: Adding full bibliography for 7037122--7037129.cif. |
7037129.cif |
| 170233 | 2015-11-12 | cif/ Adding structures of 7037122, 7037123, 7037124, 7037125, 7037126, 7037127, 7037128, 7037129 via cif-deposit CGI script. |
7037129.cif |
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Users of the data should acknowledge the original authors of the
structural data.