Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7716179
Preview
| Coordinates | 7716179.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H73 As5 Cr2 Fe |
|---|---|
| Calculated formula | C44 H73 As5 Cr2 Fe |
| SMILES | [As]123[As]45[As]671[As]18[As]9%10[Fe]%11%12%13%1424([Cr]24%15%163619[c]1([cH]2[c]4([cH]%15[c]%161C(C)(C)C)C(C)(C)C)C(C)(C)C)([Cr]1234578%10[cH]5[c]2([c]1([cH]3[c]45C(C)(C)C)C(C)(C)C)C(C)(C)C)[c]1([c]%14([c]%13([c]%11([c]%121C)C)C)C)C |
| Title of publication | Homo- and heterobimetallic transition metal cluster derived from [Cp*Fe(η<sup>5</sup>-E<sub>5</sub>)] (E = P, As) - unprecedented structural motifs of the resulting polypnictogen ligands. |
| Authors of publication | Dinauer, Sabrina B.; Szlosek, Robert; Piesch, Martin; Balázs, Gábor; Reichl, Stephan; Prock, Lukas; Riesinger, Christoph; Walter, Marc D.; Scheer, Manfred |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2024 |
| Journal volume | 53 |
| Journal issue | 24 |
| Pages of publication | 10201 - 10207 |
| a | 19.5158 ± 0.0002 Å |
| b | 10.8926 ± 0.0001 Å |
| c | 22.9447 ± 0.0002 Å |
| α | 90° |
| β | 105.573 ± 0.001° |
| γ | 90° |
| Cell volume | 4698.48 ± 0.08 Å3 |
| Cell temperature | 123 ± 0.1 K |
| Ambient diffraction temperature | 123.15 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0296 |
| Residual factor for significantly intense reflections | 0.0278 |
| Weighted residual factors for significantly intense reflections | 0.0717 |
| Weighted residual factors for all reflections included in the refinement | 0.0725 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293001 (current) | 2024-07-05 | cif/ Updating files of 7716174, 7716175, 7716176, 7716177, 7716178, 7716179, 7716180 Original log message: Adding full bibliography for 7716174--7716180.cif. |
7716179.cif |
| 292059 | 2024-05-28 | cif/ Adding structures of 7716174, 7716175, 7716176, 7716177, 7716178, 7716179, 7716180 via cif-deposit CGI script. |
7716179.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.