Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4307795
Preview
Coordinates | 4307795.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H56 As B2 Li N4 O |
---|---|
Calculated formula | C32 H56 As B2 Li N4 O |
SMILES | [As]12[N](B(N1C(C)(C)C)c1ccccc1)([Li]([O](CC)CC)N(B(N2C(C)(C)C)c1ccccc1)C(C)(C)C)C(C)(C)C |
Title of publication | New Bonding Modes for Boraamidinate Ligands in Heavy Group 15 Complexes: Fluxional Behavior of the 1:2 Complexes, LiM[PhB(NtBu)2]2 (M = As, Sb, Bi) |
Authors of publication | Jari Konu; Maravanji S. Balakrishna; Tristram Chivers; Thomas W. Swaddle |
Journal of publication | Inorganic Chemistry |
Year of publication | 2007 |
Journal volume | 46 |
Pages of publication | 2627 - 2636 |
a | 10.05 ± 0.002 Å |
b | 10.148 ± 0.002 Å |
c | 18.845 ± 0.004 Å |
α | 82.92 ± 0.03° |
β | 84.57 ± 0.03° |
γ | 66.12 ± 0.03° |
Cell volume | 1741.9 ± 0.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0329 |
Residual factor for significantly intense reflections | 0.0287 |
Weighted residual factors for significantly intense reflections | 0.0704 |
Weighted residual factors for all reflections included in the refinement | 0.0724 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
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/4307795.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.