Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7112083
Preview
| Coordinates | 7112083.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H90 As Li O8 P2 |
|---|---|
| Calculated formula | C52 H90 As Li O8 P2 |
| SMILES | [Li]123456([O]7CC[O]1CC[O]2CC[O]3CC7)[O]1CC[O]4CC[O]5CC[O]6CC1.[As+](=Pc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)=Pc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C |
| Title of publication | Direct access to [(Mes*P)2As]-, a 1,3-diphosphaarsa-2-allyl anion, isoelectronic with the allyl anion (Mes* = 2,4,6^-t^Bu3C6H2) |
| Authors of publication | Lily S. H. Dixon; Lucy K. Allen; Robert J. Less; Dominic S. Wright |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 3007 |
| a | 13.217 ± 0.001 Å |
| b | 14.553 ± 0.002 Å |
| c | 16.489 ± 0.002 Å |
| α | 90.751 ± 0.003° |
| β | 91.46 ± 0.003° |
| γ | 115.777 ± 0.003° |
| Cell volume | 2854.1 ± 0.6 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 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 | 0.1367 |
| Residual factor for significantly intense reflections | 0.1252 |
| Weighted residual factors for significantly intense reflections | 0.2521 |
| Weighted residual factors for all reflections included in the refinement | 0.2585 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7112083.cif |
| 180234 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/20. |
7112083.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7112083.cif |
| 104432 | 2014-03-11 | cif/ Adding structures of 7112082, 7112083 via cif-deposit CGI script. |
7112083.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.