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Information card for entry 7007390
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| Coordinates | 7007390.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1,1'-bis(dibromophosphano)ferrocene |
|---|---|
| Chemical name | 1,1'-bis(dibromophosphano)ferrocene |
| Formula | C10 H8 Br4 Fe P2 |
| Calculated formula | C10 H8 Br4 Fe P2 |
| SMILES | [Fe]12345678([c]9([cH]5[cH]6[cH]7[cH]89)P(Br)Br)[c]5([cH]1[cH]2[cH]3[cH]45)P(Br)Br |
| Title of publication | The homologous series of 1,1'-ferrocenylenebisdihalophosphanes (C5H4PX2)2Fe (X = F, Cl, Br, I): precursors for the first metallocene bridged bisphosphaalkene. |
| Authors of publication | Moser, Carmen; Orthaber, Andreas; Nieger, Martin; Belaj, Ferdinand; Pietschnig, Rudolf |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 32 |
| Pages of publication | 3879 - 3885 |
| a | 13.647 ± 0.004 Å |
| b | 8.992 ± 0.002 Å |
| c | 13.668 ± 0.003 Å |
| α | 90° |
| β | 119.01 ± 0.018° |
| γ | 90° |
| Cell volume | 1466.8 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0505 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.1177 |
| Weighted residual factors for all reflections included in the refinement | 0.1204 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179777 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/73. |
7007390.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7007390.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7007390.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7007390.cif |
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