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Information card for entry 7020930
Preview
| Coordinates | 7020930.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H30 Br Fe P |
|---|---|
| Calculated formula | C22 H30 Br Fe P |
| SMILES | [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)P(C1CCCCC1)C1CCCCC1)[c]1(Br)[cH]5[cH]6[cH]7[cH]81 |
| Title of publication | Selective borane reduction of phosphinoferrocene carbaldehydes to phosphinoalcohol‒borane adducts. The coordination behaviour of 1-(diphenylphosphino)- 1′-(methoxymethyl)ferrocene, a new ferrocene O,P-hybrid donor prepared from such an adduct |
| Authors of publication | Štěpnička, Petr; Císařová, Ivana |
| Journal of publication | Dalton Transactions |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 10 |
| Pages of publication | 3373 |
| a | 6.3769 ± 0.0001 Å |
| b | 7.9364 ± 0.0002 Å |
| c | 39.9711 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2022.92 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.053 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.1118 |
| Weighted residual factors for all reflections included in the refinement | 0.116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179914 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/09. |
7020930.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7020930.cif |
| 73716 | 2013-02-21 | cif/ Adding structures of 7020918, 7020919, 7020920, 7020921, 7020922, 7020923, 7020924, 7020925, 7020926, 7020927, 7020928, 7020929, 7020930 via cif-deposit CGI script. |
7020930.cif |
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Users of the data should acknowledge the original authors of the
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