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Information card for entry 7704231
Preview
| Coordinates | 7704231.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H41 As N4 P2 |
|---|---|
| Calculated formula | C22 H41 As N4 P2 |
| SMILES | [As]1(N(P2N(C(C)(C)C)P(N2C(C)(C)C)N1C(C)(C)C)C(C)(C)C)c1ccccc1 |
| Title of publication | Covalent and ionic bonding in bi- and tricyclic Group 15 amides: equidistant P-I and As-I bonds and fluxional cations. |
| Authors of publication | Musongong, Joseph T.; Otang, Mathew E.; Mash, Brandon L.; Zeller, Matthias; Stahl, Lothar |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 19 |
| Pages of publication | 6341 - 6354 |
| a | 9.5164 ± 0.0005 Å |
| b | 9.9718 ± 0.0005 Å |
| c | 15.6775 ± 0.0009 Å |
| α | 79.744 ± 0.003° |
| β | 87.738 ± 0.003° |
| γ | 63.228 ± 0.003° |
| Cell volume | 1305.62 ± 0.13 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0538 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.0848 |
| Weighted residual factors for all reflections included in the refinement | 0.1031 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7704231.cif |
| 252767 | 2020-06-05 | cif/ Updating files of 7704230, 7704231, 7704232, 7704233, 7704234, 7704235, 7704236, 7704237, 7704238, 7704239 Original log message: Adding full bibliography for 7704230--7704239.cif. |
7704231.cif |
| 251299 | 2020-04-30 | cif/ Adding structures of 7704230, 7704231, 7704232, 7704233, 7704234, 7704235, 7704236, 7704237, 7704238, 7704239 via cif-deposit CGI script. |
7704231.cif |
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Users of the data should acknowledge the original authors of the
structural data.