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Information card for entry 7716176
Preview
| Coordinates | 7716176.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H73 Fe3 P5 |
|---|---|
| Calculated formula | C44 H73 Fe3 P5 |
| SMILES | [Fe]12345678([Fe]9%10%11%12%13%14%15([Fe]%16%17%18%19%20%21%22([P]%23%10[P]19[P]4%18%23[P]2%16[P]3%11%17)[cH]1[c]%19(C(C)(C)C)[cH]%21[c]%20(C(C)(C)C)[c]%221C(C)(C)C)[c]1([c]%12([c]%14([c]%15([c]%131C)C)C)C)C)[cH]1[c]7([cH]6[c]5([c]81C(C)(C)C)C(C)(C)C)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 | 19.2342 ± 0.0001 Å |
| b | 10.8786 ± 0.0001 Å |
| c | 22.5564 ± 0.0001 Å |
| α | 90° |
| β | 106.642 ± 0.001° |
| γ | 90° |
| Cell volume | 4522.03 ± 0.06 Å3 |
| Cell temperature | 123 ± 0.1 K |
| Ambient diffraction temperature | 123.15 K |
| Number of distinct elements | 4 |
| 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 | 0.0254 |
| Residual factor for significantly intense reflections | 0.0231 |
| Weighted residual factors for significantly intense reflections | 0.0609 |
| Weighted residual factors for all reflections included in the refinement | 0.0617 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7716176.cif |
| 292059 | 2024-05-28 | cif/ Adding structures of 7716174, 7716175, 7716176, 7716177, 7716178, 7716179, 7716180 via cif-deposit CGI script. |
7716176.cif |
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