Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7063023
Preview
| Coordinates | 7063023.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H40 Fe O P Sb |
|---|---|
| Calculated formula | C34 H40 Fe O P Sb |
| SMILES | [Sb]([c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[c]1([cH]9[cH]8[cH]7[cH]61)P(=O)(C1CCCCC1)C1CCCCC1)(c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis, reactivity and coordination behaviour of a ferrocene phosphinostibine and intramolecular interactions in its P(v) and Sb(v) derivatives |
| Authors of publication | Antala, Jakub; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2024 |
| Journal volume | 48 |
| Journal issue | 12 |
| Pages of publication | 5107 - 5119 |
| a | 9.9527 ± 0.0003 Å |
| b | 11.5385 ± 0.0003 Å |
| c | 14.5599 ± 0.0004 Å |
| α | 76.936 ± 0.001° |
| β | 73.609 ± 0.001° |
| γ | 68.547 ± 0.001° |
| Cell volume | 1478.76 ± 0.07 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0188 |
| Residual factor for significantly intense reflections | 0.018 |
| Weighted residual factors for significantly intense reflections | 0.0439 |
| Weighted residual factors for all reflections included in the refinement | 0.0443 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291034 (current) | 2024-04-05 | cif/ Updating files of 7063018, 7063019, 7063020, 7063021, 7063022, 7063023, 7063024, 7063025, 7063026, 7063027, 7063028, 7063029, 7063030, 7063031, 7063032, 7063033, 7063034 Original log message: Adding full bibliography for 7063018--7063034.cif. |
7063023.cif |
| 289854 | 2024-02-17 | cif/ Adding structures of 7063018, 7063019, 7063020, 7063021, 7063022, 7063023, 7063024, 7063025, 7063026, 7063027, 7063028, 7063029, 7063030, 7063031, 7063032, 7063033, 7063034 via cif-deposit CGI script. |
7063023.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.