Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4089648
Preview
Coordinates | 4089648.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H104 B2 Li2 N4 P2 |
---|---|
Calculated formula | C58 H104 B2 Li2 N4 P2 |
SMILES | [P]([BH3])(C(c1ccccc1C([P]([BH3])(C1CCCCC1)C1CCCCC1)[Li]1[N](C)(C)CC[N]1(C)C)[Li]1[N](C)(C)CC[N]1(C)C)(C1CCCCC1)C1CCCCC1.Cc1ccccc1.Cc1ccccc1 |
Title of publication | Synthesis and Structural Characterization of Phosphine‒Borane-Stabilized Dicarbanions with either Rigid or Flexible Spacers |
Authors of publication | Izod, Keith; Dixon, Casey M.; McMeekin, Emma; Rodgers, Lee; Harrington, Ross W.; Baisch, Ulrich |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 33 |
Journal issue | 1 |
Pages of publication | 378 |
a | 12.1193 ± 0.0005 Å |
b | 17.3072 ± 0.0005 Å |
c | 15.3776 ± 0.0007 Å |
α | 90° |
β | 112.794 ± 0.005° |
γ | 90° |
Cell volume | 2973.6 ± 0.2 Å3 |
Cell temperature | 150.15 K |
Ambient diffraction temperature | 150.15 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.068 |
Residual factor for significantly intense reflections | 0.0486 |
Weighted residual factors for significantly intense reflections | 0.0918 |
Weighted residual factors for all reflections included in the refinement | 0.1013 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.7107 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/4089648.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.