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Information card for entry 7035960
Preview
| Coordinates | 7035960.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,1'-Bis-(5-bromobutanoyl)-ferrocene |
|---|---|
| Formula | C20 H24 Br2 Fe O2 |
| Calculated formula | C20 H24 Br2 Fe O2 |
| SMILES | O=C([c]12[Fe]3456789([cH]1[cH]6[cH]7[cH]23)[cH]1[cH]5[c]8(C(=O)CCCCBr)[cH]9[cH]41)CCCCBr |
| Title of publication | Heterobimetallic complexes with highly flexible 1,1'-bis(phospholanoalkyl)ferrocene ligands. |
| Authors of publication | Schmied, Andy; Straube, Axel; Grell, Toni; Jähnigen, Sascha; Hey-Hawkins, Evamarie |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 43 |
| Pages of publication | 18760 - 18768 |
| a | 5.6219 ± 0.0003 Å |
| b | 8.7107 ± 0.0004 Å |
| c | 20.5647 ± 0.0015 Å |
| α | 83.135 ± 0.005° |
| β | 84.84 ± 0.005° |
| γ | 74.38 ± 0.004° |
| Cell volume | 961.16 ± 0.1 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 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 | 0.0428 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.0763 |
| Weighted residual factors for all reflections included in the refinement | 0.0814 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.956 |
| Diffraction radiation probe | x-ray |
| 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. |
7035960.cif |
| 171232 | 2015-12-09 | cif/ Updating files of 7035957, 7035958, 7035959, 7035960, 7035961, 7035962 Original log message: Adding full bibliography for 7035957--7035962.cif. |
7035960.cif |
| 152547 | 2015-07-25 | cif/ Adding structures of 7035957, 7035958, 7035959, 7035960, 7035961, 7035962 via cif-deposit CGI script. |
7035960.cif |
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Users of the data should acknowledge the original authors of the
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