Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7002430
Preview
Coordinates | 7002430.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H18 Cl12 O6 P2 |
---|---|
Calculated formula | C37 H18 Cl12 O6 P2 |
SMILES | c12c(c(c(c(c1O[P]13(O2)(Oc2c(c(c(c(c2O1)Cl)Cl)Cl)Cl)Oc1c(c(c(c(c1O3)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)C |
Title of publication | Vicinal diphosphoniums: electrostatic repulsion under covalent constraint |
Authors of publication | Abdalilah, Mohammed; Zurawinski, Remigiuz; Canac, Yves; Laleu, Benoît; Lacour, Jérôme; Lepetit, Christine; Magro, Germinal; Bernardinelli, Gérald; Donnadieu, Bruno; Duhayon, Carine; Mikolajczyk, Marian; Chauvin, Remi |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 40 |
Pages of publication | 8493 - 8508 |
a | 17.6833 ± 0.0009 Å |
b | 17.6833 ± 0.0009 Å |
c | 11.4829 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 3109.6 ± 0.3 Å3 |
Cell temperature | 200 K |
Number of distinct elements | 5 |
Space group number | 146 |
Hermann-Mauguin space group symbol | R 3 :H |
Hall space group symbol | R 3 |
Residual factor for significantly intense reflections | 0.024 |
Weighted residual factors for all reflections included in the refinement | 0.024 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.28 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7002430.html
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.