Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4063603
Preview
Coordinates | 4063603.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H44 B2 F8 O2 P2 |
---|---|
Calculated formula | C36 H44 B2 F8 O2 P2 |
SMILES | [B](F)(F)(F)[F-].C1[C@@H](O)[P+](C[C@@H]([P+]1(c1cc(C)cc(c1)C)c1cc(C)cc(c1)C)O)(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C.[B](F)(F)(F)[F-] |
Title of publication | Stereoelectronic Factors in Iron Catalysis: Synthesis and Characterization of Aryl-Substituted Iron(II) Carbonyl P‒N‒N‒P Complexes and Their Use in the Asymmetric Transfer Hydrogenation of Ketones |
Authors of publication | Sues, Peter E.; Lough, Alan J.; Morris, Robert H. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 16 |
Pages of publication | 4418 |
a | 8.6682 ± 0.0004 Å |
b | 11.0451 ± 0.0007 Å |
c | 11.703 ± 0.0008 Å |
α | 97.466 ± 0.003° |
β | 111.386 ± 0.003° |
γ | 96.296 ± 0.003° |
Cell volume | 1019.39 ± 0.11 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1158 |
Residual factor for significantly intense reflections | 0.0695 |
Weighted residual factors for significantly intense reflections | 0.1905 |
Weighted residual factors for all reflections included in the refinement | 0.2119 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
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/4063603.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.