Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4065342
Preview
Coordinates | 4065342.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C51 H59 N2 Na O2 P2 |
---|---|
Calculated formula | C51 H59 N2 Na O2 P2 |
SMILES | [Na]1([N](c2c(cc(cc2C)C)C)=P(C=P(c2ccccc2)(c2ccccc2)N1c1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1)([O]1CCCC1)[O]1CCCC1 |
Title of publication | Group 1 Bis(iminophosphorano)methanides, Part 2:N-Aryl Derivatives of the Sterically Demanding Methanes H2C(PPh2NR)2(R = 2,4,6-trimethylphenyl or 2,6-diisopropylphenyl) |
Authors of publication | Wooles, Ashley J.; Gregson, Matthew; Robinson, Sarah; Cooper, Oliver J.; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 20 |
Pages of publication | 5326 |
a | 10.6126 ± 0.0011 Å |
b | 17.3394 ± 0.0018 Å |
c | 24.612 ± 0.003 Å |
α | 90° |
β | 97.076 ± 0.002° |
γ | 90° |
Cell volume | 4494.5 ± 0.9 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0714 |
Residual factor for significantly intense reflections | 0.0547 |
Weighted residual factors for significantly intense reflections | 0.136 |
Weighted residual factors for all reflections included in the refinement | 0.146 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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/4065342.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.