Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7035962
Preview
| Coordinates | 7035962.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,1?-Bis(4-(phospholanoselenide)butyl)ferrocene |
|---|---|
| Formula | C26 H40 Fe P2 Se2 |
| Calculated formula | C26 H40 Fe P2 Se2 |
| SMILES | [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]1[cH]6[cH]8[cH]72)CCCCP1(CCCC1)=[Se])CCCCP1(CCCC1)=[Se] |
| 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 | 7.958 ± 0.005 Å |
| b | 10.195 ± 0.005 Å |
| c | 32.986 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 92.871 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 2673 ± 2 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0766 |
| Residual factor for significantly intense reflections | 0.067 |
| Weighted residual factors for significantly intense reflections | 0.1126 |
| Weighted residual factors for all reflections included in the refinement | 0.1156 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.294 |
| 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. |
7035962.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. |
7035962.cif |
| 152547 | 2015-07-25 | cif/ Adding structures of 7035957, 7035958, 7035959, 7035960, 7035961, 7035962 via cif-deposit CGI script. |
7035962.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.