Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7035831
Preview
| Coordinates | 7035831.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H45 Cl Fe P2 |
|---|---|
| Calculated formula | C39 H45 Cl Fe P2 |
| SMILES | [Fe]12345(Cl)([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[c]1([cH]2[cH]3[c]4([cH]51)C(C)(C)C)C(C)(C)C |
| Title of publication | Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives. |
| Authors of publication | Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 31 |
| Pages of publication | 14159 - 14177 |
| a | 43.9941 ± 0.0014 Å |
| b | 11.9191 ± 0.0005 Å |
| c | 26.0793 ± 0.0013 Å |
| α | 90° |
| β | 97.39 ± 0.005° |
| γ | 90° |
| Cell volume | 13561.6 ± 1 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 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 | 0.0796 |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.1214 |
| Weighted residual factors for all reflections included in the refinement | 0.1464 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.737 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 153164 (current) | 2015-08-08 | cif/ Updating files of 7035824, 7035825, 7035826, 7035827, 7035828, 7035829, 7035830, 7035831, 7035832, 7035833, 7035834, 7035835, 7035836, 7035837, 7035838, 7035839, 7035840, 7035841, 7035842, 7035843, 7035844, 7035845, 7035846, 7035847, 7035848, 7035849 Original log message: Adding full bibliography for 7035824--7035849.cif. |
7035831.cif |
| 152279 | 2015-07-18 | cif/ Adding structures of 7035824, 7035825, 7035826, 7035827, 7035828, 7035829, 7035830, 7035831, 7035832, 7035833, 7035834, 7035835, 7035836, 7035837, 7035838, 7035839, 7035840, 7035841, 7035842, 7035843, 7035844, 7035845, 7035846, 7035847, 7035848, 7035849 via cif-deposit CGI script. |
7035831.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.