Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4084976
Preview
Coordinates | 4084976.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H36 Al Cl P2 |
---|---|
Calculated formula | C48 H36 Al Cl P2 |
SMILES | C1Cc2c3c1ccc1c3c(cc2)[P](c2ccccc2)(c2ccccc2)[Al]21(c1ccc3CCc4c3c1c(cc4)[P]2(c1ccccc1)c1ccccc1)Cl |
Title of publication | Probing Donor‒Acceptor Interactions inperi-Substituted Diphenylphosphinoacenaphthyl‒Element Dichlorides of Group 13 and 15 Elements |
Authors of publication | Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Chęcińska, Lilianna; Beckmann, Jens |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 24 |
Pages of publication | 7247 |
a | 16.825 ± 0.0005 Å |
b | 10.6263 ± 0.0003 Å |
c | 20.624 ± 0.0007 Å |
α | 90° |
β | 96.717 ± 0.001° |
γ | 90° |
Cell volume | 3662 ± 0.2 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0536 |
Residual factor for significantly intense reflections | 0.0414 |
Weighted residual factors for significantly intense reflections | 0.0908 |
Weighted residual factors for all reflections included in the refinement | 0.1016 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.129 |
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/4084976.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.